
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic          
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C180 Eu18 O74' 
_chemical_formula_sum 
 'C132 H66 Eu9 N0 O47' 
_chemical_formula_weight          3771.48 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Eu'  'Eu'  -8.9294  11.1857 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       trigonal 
_space_group_IT_number            164 
_space_group_name_H-M_alt         'P -3 m 1' 
_space_group_name_Hall            '-P 3 2"' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 'y, x, -z' 
 'x-y, -y, -z' 
 '-x, -x+y, -z' 
 '-x, -y, -z' 
 'y, -x+y, -z' 
 'x-y, x, -z' 
 '-y, -x, z' 
 '-x+y, y, z' 
 'x, x-y, z' 
  
_cell_length_a                    21.9714(5) 
_cell_length_b                    21.9714(5) 
_cell_length_c                    17.1198(9) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 120 
_cell_volume                      7157.2(5) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     17234 
_cell_measurement_theta_min       3.473 
_cell_measurement_theta_max       72.724 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     0.875 
_exptl_crystal_F_000              1801 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_absorpt_coefficient_mu     14.198 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    ? 
_diffrn_measurement_device_type   'multiwire proportional' 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             17234 
_diffrn_reflns_av_unetI/netI      0.0691 
_diffrn_reflns_av_R_equivalents   0.0846 
_diffrn_reflns_limit_h_min        -25 
_diffrn_reflns_limit_h_max        19 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        23 
_diffrn_reflns_limit_l_min        -20 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          3.473 
_diffrn_reflns_theta_max          72.717 
_diffrn_reflns_theta_full         67.679 
_diffrn_measured_fraction_theta_max   0.981 
_diffrn_measured_fraction_theta_full  0.999 
_diffrn_reflns_Laue_measured_fraction_max    0.981 
_diffrn_reflns_Laue_measured_fraction_full   0.999 
_diffrn_reflns_point_group_measured_fraction_max   0.981 
_diffrn_reflns_point_group_measured_fraction_full  0.999 
_reflns_number_total              5057 
_reflns_number_gt                 3475 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'ShelXT (Sheldrick, 2015)' 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)' 
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)' 
_refine_special_details            
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.1139P)²] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      dual 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          5057 
_refine_ls_number_parameters      219 
_refine_ls_number_restraints      466 
_refine_ls_R_factor_all           0.0877 
_refine_ls_R_factor_gt            0.0615 
_refine_ls_wR_factor_ref          0.1882 
_refine_ls_wR_factor_gt           0.1697 
_refine_ls_goodness_of_fit_ref    1.002 
_refine_ls_restrained_S_all       0.985 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
C1 C 0.6117(4) 0.6116(4) 0.7877(4) 0.083(2) Uani 0.5 1 d . U P A 1 
C2 C 0.6810(9) 0.6306(9) 0.7943(9) 0.087(4) Uani 0.5 1 d . U P A 1 
H2 H 0.694564 0.607945 0.830297 0.105 Uiso 0.5 1 calc R U P A 1 
C3 C 0.7316(8) 0.6841(8) 0.7472(9) 0.076(4) Uani 0.5 1 d . U P A 1 
H3 H 0.778763 0.698456 0.755433 0.091 Uiso 0.5 1 calc R U P A 1 
C4 C 0.7148(3) 0.7152(3) 0.6910(4) 0.0632(17) Uani 0.5 1 d . U P A 1 
C5 C 0.6431(8) 0.7053(9) 0.6892(10) 0.081(4) Uani 0.5 1 d . U P A 1 
H5 H 0.631916 0.732198 0.656668 0.097 Uiso 0.5 1 calc R U P A 1 
C6 C 0.5923(9) 0.6535(10) 0.7388(10) 0.098(5) Uani 0.5 1 d . U P A 1 
H6 H 0.546819 0.646093 0.740270 0.118 Uiso 0.5 1 calc R U P A 1 
C7 C 0.7701(3) 0.7699(3) 0.6411(4) 0.0566(15) Uani 0.5 1 d . U P A 1 
O1 O 0.8288(5) 0.7883(5) 0.6503(6) 0.066(2) Uani 0.5 1 d . U P A 1 
O2 O 0.7449(4) 0.7995(4) 0.5883(5) 0.059(2) Uani 0.5 1 d . U P A 1 
C11 C 0.6117(4) 0.6116(4) 0.7877(4) 0.083(2) Uani 0.5 1 d . U P A 2 
C12 C 0.6516(9) 0.5926(8) 0.7394(10) 0.094(5) Uani 0.5 1 d . U P A 2 
H12 H 0.643160 0.546645 0.739830 0.113 Uiso 0.5 1 calc R U P A 2 
C13 C 0.7053(9) 0.6441(8) 0.6894(10) 0.085(4) Uani 0.5 1 d . U P A 2 
H13 H 0.732730 0.633004 0.657634 0.103 Uiso 0.5 1 calc R U P A 2 
C14 C 0.7148(3) 0.7152(3) 0.6910(4) 0.0632(17) Uani 0.5 1 d . U P A 2 
C15 C 0.6835(8) 0.7322(8) 0.7478(9) 0.079(4) Uani 0.5 1 d . U P A 2 
H15 H 0.697596 0.779263 0.755946 0.094 Uiso 0.5 1 calc R U P A 2 
C16 C 0.6300(9) 0.6806(9) 0.7954(9) 0.085(4) Uani 0.5 1 d . U P A 2 
H16 H 0.607185 0.693618 0.831875 0.102 Uiso 0.5 1 calc R U P A 2 
C17 C 0.7701(3) 0.7699(3) 0.6411(4) 0.0566(15) Uani 0.5 1 d . U P A 2 
O11 O 0.7992(5) 0.7446(4) 0.5895(6) 0.061(2) Uani 0.5 1 d . U P A 2 
O12 O 0.7885(4) 0.8288(4) 0.6509(5) 0.0579(19) Uani 0.5 1 d . U P A 2 
C31 C 0.5004(4) 0.4996(4) 0.7980(6) 0.092(5) Uani 1 2 d S TU P A . 
H31 H 0.501098 0.498902 0.743710 0.111 Uiso 1 2 calc R U P . . 
C32 C 0.5550(4) 0.5551(4) 0.8347(4) 0.089(3) Uani 1 1 d . U . . . 
C33 C 0.5561(4) 0.5547(4) 0.9166(4) 0.085(3) Uani 1 1 d . U . . . 
C34 C 0.6112(4) 0.6111(4) 0.9600(4) 0.104(4) Uani 1 1 d . U . . . 
H34 H 0.647806 0.648269 0.933373 0.124 Uiso 1 1 calc R U . . . 
C35 C 0.4999(4) 0.5001(4) 0.9583(5) 0.080(4) Uani 1 2 d S TU P . . 
O31 O 0.87263(19) 0.87263(19) 0.500000 0.0385(11) Uani 1 2 d S TU P A . 
O32 O 1.000000 1.000000 0.5813(4) 0.0172(13) Uani 1 6 d S TU P A . 
O33 O 0.9563(4) 0.9126(9) 0.7494(8) 0.081(3) Uani 0.5 2 d S TU P A . 
O34 O 1.0441(5) 0.9559(5) 0.7495(8) 0.087(3) Uani 0.5 2 d S TU P . . 
O35 O 0.6508(8) 0.8254(4) 0.5004(10) 0.094(5) Uani 0.5 2 d S TU P A . 
O41 O 1.06008(2) 0.93992(2) 0.61626(4) 0.0288(2) Uani 0.5 2 d S TU P A . 
O42 O 0.93995(2) 0.87990(4) 0.61620(4) 0.0290(2) Uani 0.5 2 d S TU P . . 
Eu1 Eu 1.06008(2) 0.93992(2) 0.61626(4) 0.0288(2) Uani 0.5 2 d S TU P A . 
Eu2 Eu 0.93995(2) 0.87990(4) 0.61620(4) 0.0290(2) Uani 0.5 2 d S TU P . . 
Eu3 Eu 0.78860(4) 0.89430(2) 0.49996(5) 0.0323(2) Uani 0.5 2 d S TU P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
C1 C2 1.37(2) . ? 
C1 C6 1.46(2) . ? 
C1 C32 1.481(9) . ? 
C2 C3 1.400(18) . ? 
C2 H2 0.9300 . ? 
C3 C4 1.336(17) . ? 
C3 H3 0.9300 . ? 
C4 C7 1.478(8) . ? 
C4 C5 1.480(18) . ? 
C5 C6 1.412(19) . ? 
C5 H5 0.9300 . ? 
C6 H6 0.9300 . ? 
C7 O1 1.154(11) . ? 
C7 O2 1.381(11) . ? 
O1 Eu2 2.332(8) . ? 
O1 Eu3 2.946(10) 9_656 ? 
O2 Eu3 2.356(8) . ? 
C11 C16 1.37(2) . ? 
C11 C12 1.41(2) . ? 
C11 C32 1.481(9) . ? 
C12 C13 1.439(19) . ? 
C12 H12 0.9300 . ? 
C13 C14 1.469(18) . ? 
C13 H13 0.9300 . ? 
C14 C15 1.347(17) . ? 
C14 C17 1.478(8) . ? 
C15 C16 1.415(19) . ? 
C15 H15 0.9300 . ? 
C16 H16 0.9300 . ? 
C17 O12 1.160(11) . ? 
C17 O11 1.361(11) . ? 
O11 Eu3 2.372(8) 9_656 ? 
O11 Eu2 3.069(8) . ? 
O12 Eu3 2.957(9) . ? 
O12 Eu2 2.992(8) . ? 
C31 C32 1.363(8) . ? 
C31 C32 1.363(8) 10_665 ? 
C31 H31 0.9300 . ? 
C32 C33 1.403(10) . ? 
C33 C35 1.411(8) . ? 
C33 C34 1.433(9) . ? 
C34 C34 1.368(14) 4_557 ? 
C34 H34 0.9300 . ? 
C35 C35 1.429(18) 7_667 ? 
O31 Eu3 2.1246(15) 9_656 ? 
O31 Eu3 2.1247(15) . ? 
O31 Eu2 2.4361(15) . ? 
O31 Eu1 2.4368(15) 8_566 ? 
O32 Eu2 2.3621(19) . ? 
O32 Eu2 2.3622(19) 3_675 ? 
O32 Eu1 2.3634(19) 2_765 ? 
O32 Eu1 2.3634(19) . ? 
O33 O34 1.670(12) 3_675 ? 
O33 O34 1.670(12) . ? 
O33 Eu2 2.363(14) . ? 
O33 Eu1 3.063(11) . ? 
O34 Eu1 2.361(15) . ? 
O34 Eu2 3.067(11) . ? 
O35 Eu3 2.621(15) . ? 
Eu1 Eu2 2.2858(5) . ? 
Eu1 Eu3 2.6416(11) 2_765 ? 
Eu2 Eu3 2.6404(11) 9_656 ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
C2 C1 C6 119.2(10) . . ? 
C2 C1 C32 123.5(10) . . ? 
C6 C1 C32 116.9(10) . . ? 
C1 C2 C3 120.3(16) . . ? 
C1 C2 H2 119.8 . . ? 
C3 C2 H2 119.8 . . ? 
C4 C3 C2 122.5(15) . . ? 
C4 C3 H3 118.7 . . ? 
C2 C3 H3 118.7 . . ? 
C3 C4 C7 120.5(9) . . ? 
C3 C4 C5 119.1(10) . . ? 
C7 C4 C5 119.3(8) . . ? 
C6 C5 C4 117.4(15) . . ? 
C6 C5 H5 121.3 . . ? 
C4 C5 H5 121.3 . . ? 
C5 C6 C1 119.5(16) . . ? 
C5 C6 H6 120.2 . . ? 
C1 C6 H6 120.2 . . ? 
O1 C7 O2 124.4(7) . . ? 
O1 C7 C4 121.8(8) . . ? 
O2 C7 C4 113.6(6) . . ? 
C7 O1 Eu2 140.7(7) . . ? 
C7 O1 Eu3 110.0(7) . 9_656 ? 
Eu2 O1 Eu3 58.7(2) . 9_656 ? 
C7 O2 Eu3 139.0(6) . . ? 
C16 C11 C12 120.3(10) . . ? 
C16 C11 C32 122.3(10) . . ? 
C12 C11 C32 117.1(10) . . ? 
C11 C12 C13 120.0(15) . . ? 
C11 C12 H12 120.0 . . ? 
C13 C12 H12 120.0 . . ? 
C12 C13 C14 116.8(15) . . ? 
C12 C13 H13 121.6 . . ? 
C14 C13 H13 121.6 . . ? 
C15 C14 C13 119.1(10) . . ? 
C15 C14 C17 121.2(9) . . ? 
C13 C14 C17 118.4(9) . . ? 
C14 C15 C16 122.0(15) . . ? 
C14 C15 H15 119.0 . . ? 
C16 C15 H15 119.0 . . ? 
C11 C16 C15 119.9(15) . . ? 
C11 C16 H16 120.1 . . ? 
C15 C16 H16 120.1 . . ? 
O12 C17 O11 125.2(7) . . ? 
O12 C17 C14 120.6(8) . . ? 
O11 C17 C14 114.0(6) . . ? 
C17 O11 Eu3 138.7(6) . 9_656 ? 
C17 O11 Eu2 87.7(5) . . ? 
Eu3 O11 Eu2 56.33(17) 9_656 . ? 
C17 O12 Eu3 109.4(7) . . ? 
C17 O12 Eu2 95.3(6) . . ? 
Eu3 O12 Eu2 85.0(2) . . ? 
C32 C31 C32 125.1(9) . 10_665 ? 
C32 C31 H31 117.4 . . ? 
C32 C31 H31 117.4 10_665 . ? 
C31 C32 C33 117.7(6) . . ? 
C31 C32 C11 119.7(7) . . ? 
C33 C32 C11 122.6(6) . . ? 
C31 C32 C1 119.7(7) . . ? 
C33 C32 C1 122.6(6) . . ? 
C32 C33 C35 120.0(6) . . ? 
C32 C33 C34 121.5(6) . . ? 
C35 C33 C34 118.4(7) . . ? 
C34 C34 C33 121.2(4) 4_557 . ? 
C34 C34 H34 119.4 4_557 . ? 
C33 C34 H34 119.4 . . ? 
C33 C35 C33 119.2(9) . 10_665 ? 
C33 C35 C35 120.4(4) . 7_667 ? 
C33 C35 C35 120.4(4) 10_665 7_667 ? 
Eu3 O31 Eu3 142.4(2) 9_656 . ? 
Eu3 O31 Eu2 70.38(3) 9_656 . ? 
Eu3 O31 Eu2 123.55(3) . . ? 
Eu3 O31 Eu1 70.40(3) 9_656 8_566 ? 
Eu3 O31 Eu1 123.51(3) . 8_566 ? 
Eu2 O31 Eu1 109.51(10) . 8_566 ? 
Eu2 O32 Eu2 113.83(13) . 3_675 ? 
Eu2 O32 Eu1 150.7(3) . 2_765 ? 
Eu2 O32 Eu1 57.86(5) 3_675 2_765 ? 
Eu2 O32 Eu1 57.86(5) . . ? 
Eu2 O32 Eu1 150.7(3) 3_675 . ? 
Eu1 O32 Eu1 113.82(13) 2_765 . ? 
O34 O33 O34 120.8(16) 3_675 . ? 
O34 O33 Eu2 97.5(7) 3_675 . ? 
O34 O33 Eu2 97.5(7) . . ? 
O34 O33 Eu1 118.6(9) 3_675 . ? 
O34 O33 Eu1 49.8(6) . . ? 
Eu2 O33 Eu1 47.7(2) . . ? 
O33 O34 O33 119.2(16) . 2_765 ? 
O33 O34 Eu1 97.4(7) . . ? 
O33 O34 Eu1 97.4(7) 2_765 . ? 
O33 O34 Eu2 49.8(6) . . ? 
O33 O34 Eu2 117.9(9) 2_765 . ? 
Eu1 O34 Eu2 47.6(2) . . ? 
Eu2 Eu1 O42 119.95(4) . 2_765 ? 
Eu2 Eu1 O12 155.1(2) . 2_765 ? 
O42 Eu1 O12 80.8(2) 2_765 2_765 ? 
Eu2 Eu1 O12 80.8(2) . 11_655 ? 
O42 Eu1 O12 155.1(2) 2_765 11_655 ? 
Eu2 Eu1 O34 82.6(2) . . ? 
O42 Eu1 O34 82.6(2) 2_765 . ? 
O12 Eu1 O34 87.0(4) 2_765 . ? 
O12 Eu1 O34 87.0(4) 11_655 . ? 
Eu2 Eu1 O32 61.04(3) . . ? 
O42 Eu1 O32 61.04(3) 2_765 . ? 
O12 Eu1 O32 141.8(2) 2_765 . ? 
O12 Eu1 O32 141.8(2) 11_655 . ? 
O34 Eu1 O32 89.7(5) . . ? 
Eu2 Eu1 O31 62.01(3) . 9_656 ? 
O42 Eu1 O31 121.67(9) 2_765 9_656 ? 
O34 Eu1 O31 143.48(12) . 9_656 ? 
O32 Eu1 O31 81.24(16) . 9_656 ? 
Eu2 Eu1 O31 121.67(9) . 2_765 ? 
O42 Eu1 O31 62.01(3) 2_765 2_765 ? 
O34 Eu1 O31 143.48(12) . 2_765 ? 
O32 Eu1 O31 81.24(16) . 2_765 ? 
O31 Eu1 O31 70.09(8) 9_656 2_765 ? 
Eu2 Eu1 Eu3 109.18(3) . 2_765 ? 
O42 Eu1 Eu3 109.18(3) 2_765 2_765 ? 
O34 Eu1 Eu3 153.9(5) . 2_765 ? 
O32 Eu1 Eu3 116.42(16) . 2_765 ? 
O31 Eu1 Eu3 49.26(5) 9_656 2_765 ? 
O31 Eu1 Eu3 49.26(5) 2_765 2_765 ? 
Eu2 Eu1 O1 164.6(2) . 2_765 ? 
O42 Eu1 O1 50.29(18) 2_765 2_765 ? 
O34 Eu1 O1 84.0(3) . 2_765 ? 
O32 Eu1 O1 111.30(19) . 2_765 ? 
O31 Eu1 O1 132.2(2) 9_656 2_765 ? 
O31 Eu1 O1 67.0(2) 2_765 2_765 ? 
Eu3 Eu1 O1 86.2(2) 2_765 2_765 ? 
Eu2 Eu1 O1 50.29(18) . 11_655 ? 
O42 Eu1 O1 164.6(2) 2_765 11_655 ? 
O34 Eu1 O1 84.0(3) . 11_655 ? 
O32 Eu1 O1 111.30(19) . 11_655 ? 
O31 Eu1 O1 67.0(2) 9_656 11_655 ? 
O31 Eu1 O1 132.2(2) 2_765 11_655 ? 
Eu3 Eu1 O1 86.2(2) 2_765 11_655 ? 
O1 Eu1 O1 135.5(4) 2_765 11_655 ? 
O41 Eu2 Eu1 120.05(4) 3_675 . ? 
O41 Eu2 O1 80.8(2) 3_675 . ? 
Eu1 Eu2 O1 155.0(2) . . ? 
O41 Eu2 O1 155.0(2) 3_675 11_655 ? 
Eu1 Eu2 O1 80.8(2) . 11_655 ? 
O1 Eu2 O1 76.0(5) . 11_655 ? 
O41 Eu2 O33 82.4(2) 3_675 . ? 
Eu1 Eu2 O33 82.4(2) . . ? 
O1 Eu2 O33 87.4(4) . . ? 
O1 Eu2 O33 87.4(4) 11_655 . ? 
O41 Eu2 O32 61.10(3) 3_675 . ? 
Eu1 Eu2 O32 61.10(3) . . ? 
O1 Eu2 O32 141.8(2) . . ? 
O1 Eu2 O32 141.8(2) 11_655 . ? 
O33 Eu2 O32 89.4(4) . . ? 
O41 Eu2 O31 62.04(3) 3_675 . ? 
Eu1 Eu2 O31 121.75(9) . . ? 
O1 Eu2 O31 78.9(3) . . ? 
O1 Eu2 O31 121.0(3) 11_655 . ? 
O33 Eu2 O31 143.40(11) . . ? 
O32 Eu2 O31 81.28(16) . . ? 
O41 Eu2 O31 121.75(9) 3_675 9_656 ? 
Eu1 Eu2 O31 62.04(3) . 9_656 ? 
O1 Eu2 O31 121.0(3) . 9_656 ? 
O1 Eu2 O31 78.9(3) 11_655 9_656 ? 
O33 Eu2 O31 143.40(11) . 9_656 ? 
O32 Eu2 O31 81.28(16) . 9_656 ? 
O31 Eu2 O31 70.11(8) . 9_656 ? 
O41 Eu2 Eu3 109.21(3) 3_675 9_656 ? 
Eu1 Eu2 Eu3 109.21(3) . 9_656 ? 
O1 Eu2 Eu3 72.4(3) . 9_656 ? 
O1 Eu2 Eu3 72.4(3) 11_655 9_656 ? 
O33 Eu2 Eu3 154.1(4) . 9_656 ? 
O32 Eu2 Eu3 116.49(16) . 9_656 ? 
O31 Eu2 Eu3 49.28(5) . 9_656 ? 
O31 Eu2 Eu3 49.28(5) 9_656 9_656 ? 
O41 Eu2 O12 50.31(17) 3_675 . ? 
Eu1 Eu2 O12 164.42(19) . . ? 
O33 Eu2 O12 83.9(2) . . ? 
O32 Eu2 O12 111.38(17) . . ? 
O31 Eu2 O12 67.20(19) . . ? 
O31 Eu2 O12 132.43(19) 9_656 . ? 
Eu3 Eu2 O12 86.31(19) 9_656 . ? 
O41 Eu2 O12 164.42(19) 3_675 11_655 ? 
Eu1 Eu2 O12 50.31(17) . 11_655 ? 
O1 Eu2 O12 106.1(3) . 11_655 ? 
O1 Eu2 O12 30.5(3) 11_655 11_655 ? 
O33 Eu2 O12 83.9(2) . 11_655 ? 
O32 Eu2 O12 111.39(17) . 11_655 ? 
O31 Eu2 O12 132.43(19) . 11_655 ? 
O31 Eu2 O12 67.20(19) 9_656 11_655 ? 
Eu3 Eu2 O12 86.31(19) 9_656 11_655 ? 
O31 Eu3 O31 82.4(2) 8_566 . ? 
O31 Eu3 O2 135.5(2) 8_566 . ? 
O31 Eu3 O2 79.5(2) . . ? 
O31 Eu3 O2 79.5(2) 8_566 12_565 ? 
O31 Eu3 O2 135.5(2) . 12_565 ? 
O2 Eu3 O2 85.7(5) . 12_565 ? 
O31 Eu3 O11 79.6(2) 8_566 8_566 ? 
O31 Eu3 O11 135.4(2) . 8_566 ? 
O2 Eu3 O11 138.7(3) . 8_566 ? 
O2 Eu3 O11 80.1(3) 12_565 8_566 ? 
O31 Eu3 O11 135.4(2) 8_566 4_556 ? 
O31 Eu3 O11 79.6(2) . 4_556 ? 
O2 Eu3 O11 80.1(3) . 4_556 ? 
O2 Eu3 O11 138.7(3) 12_565 4_556 ? 
O31 Eu3 O35 138.81(11) 8_566 . ? 
O31 Eu3 O35 138.81(11) . . ? 
O2 Eu3 O35 69.2(3) . . ? 
O2 Eu3 O35 69.2(3) 12_565 . ? 
O11 Eu3 O35 69.5(4) 8_566 . ? 
O11 Eu3 O35 69.5(4) 4_556 . ? 
O31 Eu3 O42 60.35(6) 8_566 8_566 ? 
O31 Eu3 O42 60.34(6) . 8_566 ? 
O2 Eu3 O42 135.7(2) . 8_566 ? 
O2 Eu3 O42 135.7(2) 12_565 8_566 ? 
O35 Eu3 O42 131.3(4) . 8_566 ? 
O31 Eu3 O41 60.34(6) 8_566 3_675 ? 
O31 Eu3 O41 60.34(6) . 3_675 ? 
O2 Eu3 O41 75.4(2) . 3_675 ? 
O2 Eu3 O41 75.4(2) 12_565 3_675 ? 
O35 Eu3 O41 130.9(4) . 3_675 ? 
O42 Eu3 O41 97.78(3) 8_566 3_675 ? 
O31 Eu3 O1 71.37(19) 8_566 8_566 ? 
O31 Eu3 O1 108.82(19) . 8_566 ? 
O2 Eu3 O1 153.1(3) . 8_566 ? 
O2 Eu3 O1 103.2(3) 12_565 8_566 ? 
O11 Eu3 O1 26.6(3) 8_566 8_566 ? 
O11 Eu3 O1 76.5(3) 4_556 8_566 ? 
O35 Eu3 O1 90.1(4) . 8_566 ? 
O42 Eu3 O1 48.97(18) 8_566 8_566 ? 
O41 Eu3 O1 131.24(18) 3_675 8_566 ? 
O31 Eu3 O1 108.8(2) 8_566 4_556 ? 
O31 Eu3 O1 71.37(18) . 4_556 ? 
O2 Eu3 O1 103.2(3) . 4_556 ? 
O2 Eu3 O1 153.1(3) 12_565 4_556 ? 
O35 Eu3 O1 90.1(4) . 4_556 ? 
O42 Eu3 O1 48.97(18) 8_566 4_556 ? 
O41 Eu3 O1 131.24(18) 3_675 4_556 ? 
O1 Eu3 O1 58.4(4) 8_566 4_556 ? 
O31 Eu3 O12 108.70(18) 8_566 . ? 
O31 Eu3 O12 71.35(17) . . ? 
O11 Eu3 O12 153.3(3) 8_566 . ? 
O11 Eu3 O12 103.5(3) 4_556 . ? 
O35 Eu3 O12 89.8(4) . . ? 
O42 Eu3 O12 131.20(17) 8_566 . ? 
O41 Eu3 O12 48.85(17) 3_675 . ? 
  
_refine_diff_density_max    0.785 
_refine_diff_density_min   -0.982 
_refine_diff_density_rms    0.112 
  
  
  
  

 
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic          
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C248 H188 Eu12 O68' 
_chemical_formula_sum 
 'C132 H89 Eu6 N0 O34' 
_chemical_formula_weight          3130.79 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Eu'  'Eu'  -8.9294  11.1857 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       tetragonal 
_space_group_IT_number            128 
_space_group_name_H-M_alt         'P 4/m n c' 
_space_group_name_Hall            '-P 4 2n' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, z' 
 '-y, x, z' 
 'y, -x, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z+1/2' 
 'y+1/2, x+1/2, -z+1/2' 
 '-y+1/2, -x+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, y, -z' 
 'y, -x, -z' 
 '-y, x, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 '-x-1/2, y-1/2, z-1/2' 
 '-y-1/2, -x-1/2, z-1/2' 
 'y-1/2, x-1/2, z-1/2' 
  
_cell_length_a                    20.6567(4) 
_cell_length_b                    20.6567(4) 
_cell_length_c                    42.465(2) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 90 
_cell_volume                      18120.0(11) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     140(2) 
_cell_measurement_reflns_used     111734 
_cell_measurement_theta_min       3.785 
_cell_measurement_theta_max       59.366 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_density_diffrn     0.574 
_exptl_crystal_F_000              3062 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_absorpt_coefficient_mu     7.530 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       140(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    'fine-focus sealed tube' 
_diffrn_measurement_device_type   'CCD area detector'  
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             111734 
_diffrn_reflns_av_unetI/netI      0.0444 
_diffrn_reflns_av_R_equivalents   0.1352 
_diffrn_reflns_limit_h_min        -22 
_diffrn_reflns_limit_h_max        17 
_diffrn_reflns_limit_k_min        -22 
_diffrn_reflns_limit_k_max        22 
_diffrn_reflns_limit_l_min        -47 
_diffrn_reflns_limit_l_max        47 
_diffrn_reflns_theta_min          3.785 
_diffrn_reflns_theta_max          59.366 
_diffrn_reflns_theta_full         59.366 
_diffrn_measured_fraction_theta_max   0.997 
_diffrn_measured_fraction_theta_full  0.997 
_diffrn_reflns_Laue_measured_fraction_max    0.997 
_diffrn_reflns_Laue_measured_fraction_full   0.997 
_diffrn_reflns_point_group_measured_fraction_max   0.997 
_diffrn_reflns_point_group_measured_fraction_full  0.997 
_reflns_number_total              6702 
_reflns_number_gt                 2625 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'ShelXT (Sheldrick, 2015)' 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)' 
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)' 
_refine_special_details            
; 
Olex2 1.2 
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.2000P)²+20.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      dual 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          6702 
_refine_ls_number_parameters      235 
_refine_ls_number_restraints      425 
_refine_ls_R_factor_all           0.1829 
_refine_ls_R_factor_gt            0.0897 
_refine_ls_wR_factor_ref          0.3791 
_refine_ls_wR_factor_gt           0.2639 
_refine_ls_goodness_of_fit_ref    1.005 
_refine_ls_restrained_S_all       0.992 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Eu01 Eu 0.500000 0.500000 0.56471(3) 0.1424(7) Uani 1 4 d S TU P . . 
Eu02 Eu 0.38119(6) 0.43813(7) 0.500000 0.1533(7) Uani 1 2 d S TU P . . 
O3 O 0.4731(4) 0.4147(3) 0.52952(13) 0.127(2) Uani 1 1 d . U . . . 
O1 O 0.3377(5) 0.4181(5) 0.5500(2) 0.186(4) Uani 1 1 d . U . . . 
O2 O 0.4112(6) 0.4514(5) 0.5864(2) 0.183(3) Uani 1 1 d . U . . . 
C14 C 0.0260(3) 0.4740(3) 0.750000 0.161(6) Uani 1 2 d DS TU P . . 
C13 C 0.0765(5) 0.4758(5) 0.7283(2) 0.168(5) Uani 1 1 d D U . . . 
C12 C 0.1233(6) 0.4281(5) 0.7279(2) 0.186(5) Uani 1 1 d D U . . . 
C17 C 0.3554(10) 0.4297(9) 0.5765(4) 0.199(6) Uani 1 1 d D U . . . 
C8 C 0.1743(7) 0.4290(8) 0.7035(3) 0.193(5) Uani 1 1 d D U . . . 
C5 C 0.2707(6) 0.4337(9) 0.6574(2) 0.209(6) Uani 1 1 d D U . . . 
C11 C 0.1217(6) 0.3783(6) 0.750000 0.204(9) Uani 1 2 d DS TU P . . 
C16 C 0.0813(8) 0.5338(8) 0.7060(3) 0.199(6) Uani 1 1 d . U . . . 
H16A H 0.044299 0.562646 0.709466 0.298 Uiso 1 1 calc R U . . . 
H16B H 0.121582 0.557436 0.710180 0.298 Uiso 1 1 calc R U . . . 
H16C H 0.081150 0.518608 0.684168 0.298 Uiso 1 1 calc R U . . . 
C4 C 0.2089(6) 0.4112(9) 0.6499(3) 0.205(5) Uani 1 1 d D U . . . 
C6 C 0.3184(7) 0.4388(9) 0.6338(3) 0.210(6) Uani 1 1 d D U . . . 
H6 H 0.360520 0.453822 0.639043 0.252 Uiso 1 1 calc R U . . . 
C7 C 0.1606(6) 0.4072(8) 0.6736(3) 0.199(5) Uani 1 1 d D U . . . 
H7 H 0.119157 0.389714 0.668876 0.239 Uiso 1 1 calc R U . . . 
C1 C 0.3040(7) 0.4221(8) 0.6033(3) 0.213(6) Uani 1 1 d D U . . . 
C10 C 0.2842(7) 0.4556(10) 0.6877(3) 0.248(7) Uani 1 1 d D U . . . 
H10 H 0.325595 0.472855 0.692586 0.298 Uiso 1 1 calc R U . . . 
C9 C 0.2362(7) 0.4519(11) 0.7109(3) 0.240(7) Uani 1 1 d D U . . . 
H9 H 0.245751 0.465043 0.731785 0.288 Uiso 1 1 calc R U . . . 
C2 C 0.2419(7) 0.3984(7) 0.5956(3) 0.256(8) Uani 1 1 d D U . . . 
H2 H 0.232399 0.385569 0.574589 0.308 Uiso 1 1 calc R U . . . 
C15 C 0.1759(8) 0.3241(8) 0.750000 0.222(10) Uani 1 2 d S TU P . . 
H15A H 0.206864 0.332684 0.733019 0.333 Uiso 0.5 1 calc R U P . . 
H15B H 0.198580 0.324400 0.770271 0.333 Uiso 0.5 1 calc R U P . . 
H15C H 0.155826 0.281646 0.746710 0.333 Uiso 0.5 1 calc R U P . . 
C3 C 0.1944(7) 0.3940(8) 0.6190(3) 0.253(7) Uani 1 1 d D U . . . 
H3 H 0.152121 0.379371 0.613735 0.303 Uiso 1 1 calc R U . . . 
O4 O 0.3762(9) 0.3253(8) 0.500000 0.197(5) Uani 1 2 d S TU P . . 
O5 O 0.5013(11) 0.2859(8) 0.500000 0.212(6) Uani 1 2 d S TU P . . 
O6W O 0.500000 0.500000 0.6256(4) 0.262(9) Uani 1 4 d S TU P . . 
C21 C 0.416(2) 0.212(2) 0.500000 0.233(13) Uani 0.25 2 d DS TU P . . 
C22 C 0.351(2) 0.196(3) 0.500000 0.244(16) Uani 0.25 2 d DS TU P . . 
H22 H 0.319055 0.228836 0.500000 0.292 Uiso 0.25 2 calc R U P . . 
C23 C 0.333(3) 0.131(3) 0.500000 0.258(18) Uani 0.25 2 d DS TU P . . 
H23 H 0.288124 0.119974 0.500000 0.310 Uiso 0.25 2 calc R U P . . 
C24 C 0.379(4) 0.084(2) 0.500000 0.25(2) Uani 0.25 2 d DS TU P . . 
H24 H 0.366950 0.039470 0.500000 0.302 Uiso 0.25 2 calc R U P . . 
C25 C 0.444(4) 0.100(2) 0.500000 0.252(18) Uani 0.25 2 d DS TU P . . 
H25 H 0.476178 0.066808 0.500000 0.302 Uiso 0.25 2 calc R U P . . 
C26 C 0.462(3) 0.164(2) 0.500000 0.233(16) Uani 0.25 2 d DS TU P . . 
H26 H 0.507061 0.175461 0.500000 0.280 Uiso 0.25 2 calc R U P . . 
C27 C 0.436(3) 0.282(2) 0.500000 0.199(9) Uani 0.5 2 d DS TU P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Eu01 O2 2.285(11) . ? 
Eu01 O2 2.285(11) 2_665 ? 
Eu01 O2 2.285(11) 4_565 ? 
Eu01 O2 2.285(11) 3_655 ? 
Eu01 O3 2.377(7) . ? 
Eu01 O3 2.377(7) 4_565 ? 
Eu01 O3 2.377(7) 2_665 ? 
Eu01 O3 2.377(7) 3_655 ? 
Eu01 O6W 2.585(18) . ? 
Eu01 Eu02 3.8997(12) 3_655 ? 
Eu01 Eu02 3.8997(12) 11_566 ? 
Eu01 Eu02 3.8997(13) 9_666 ? 
Eu02 O3 2.326(7) 10_556 ? 
Eu02 O4 2.333(16) . ? 
Eu02 O3 2.326(7) . ? 
Eu02 O5 2.333(18) 11_566 ? 
Eu02 O3 2.326(7) 4_565 ? 
Eu02 O3 2.326(7) 11_566 ? 
Eu02 O1 2.341(9) . ? 
Eu02 O1 2.341(9) 10_556 ? 
Eu02 C27 3.31(5) 11_566 ? 
Eu02 Eu02 3.9130(17) 11_566 ? 
O1 C17 1.208(17) . ? 
O2 C17 1.306(19) . ? 
C14 C13 1.393(9) 8_556 ? 
C14 C13 1.393(9) . ? 
C14 C14 1.522(17) 2_565 ? 
C13 C12 1.380(10) . ? 
C13 C16 1.529(16) . ? 
C12 C11 1.391(9) . ? 
C12 C8 1.479(15) . ? 
C17 C1 1.564(19) . ? 
C8 C7 1.376(11) . ? 
C8 C9 1.399(12) . ? 
C5 C10 1.391(11) . ? 
C5 C4 1.395(11) . ? 
C5 C6 1.409(11) . ? 
C11 C15 1.58(3) . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C4 C3 1.395(11) . ? 
C4 C7 1.419(11) . ? 
C6 C1 1.374(11) . ? 
C6 H6 0.9500 . ? 
C7 H7 0.9500 . ? 
C1 C2 1.412(11) . ? 
C10 C9 1.398(11) . ? 
C10 H10 0.9500 . ? 
C9 H9 0.9500 . ? 
C2 C3 1.400(12) . ? 
C2 H2 0.9500 . ? 
C15 H15A 0.9800 . ? 
C15 H15B 0.9800 . ? 
C15 H15C 0.9800 . ? 
C15 H15A 0.9798 8_556 ? 
C15 H15B 0.9800 8_556 ? 
C15 H15C 0.9800 8_556 ? 
C3 H3 0.9500 . ? 
O4 C27 1.52(6) . ? 
O5 C27 1.35(6) . ? 
C21 C22 1.376(18) . ? 
C21 C26 1.38(2) . ? 
C21 C27 1.52(2) . ? 
C22 C23 1.38(2) . ? 
C22 H22 0.9500 . ? 
C23 C24 1.38(2) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.38(2) . ? 
C24 H24 0.9500 . ? 
C25 C26 1.38(2) . ? 
C25 H25 0.9500 . ? 
C26 H26 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O2 Eu01 O2 132.5(5) . 2_665 ? 
O2 Eu01 O2 80.65(19) . 4_565 ? 
O2 Eu01 O2 80.65(19) 2_665 4_565 ? 
O2 Eu01 O2 80.65(19) . 3_655 ? 
O2 Eu01 O2 80.65(19) 2_665 3_655 ? 
O2 Eu01 O2 132.5(5) 4_565 3_655 ? 
O2 Eu01 O3 74.9(3) . . ? 
O2 Eu01 O3 140.1(3) 2_665 . ? 
O2 Eu01 O3 138.2(3) 4_565 . ? 
O2 Eu01 O3 76.2(3) 3_655 . ? 
O2 Eu01 O3 76.2(3) . 4_565 ? 
O2 Eu01 O3 138.2(3) 2_665 4_565 ? 
O2 Eu01 O3 74.9(3) 4_565 4_565 ? 
O2 Eu01 O3 140.1(4) 3_655 4_565 ? 
O3 Eu01 O3 66.71(16) . 4_565 ? 
O2 Eu01 O3 140.1(3) . 2_665 ? 
O2 Eu01 O3 74.9(3) 2_665 2_665 ? 
O2 Eu01 O3 76.2(3) 4_565 2_665 ? 
O2 Eu01 O3 138.2(3) 3_655 2_665 ? 
O3 Eu01 O3 102.1(3) . 2_665 ? 
O3 Eu01 O3 66.71(16) 4_565 2_665 ? 
O2 Eu01 O3 138.2(3) . 3_655 ? 
O2 Eu01 O3 76.2(3) 2_665 3_655 ? 
O2 Eu01 O3 140.1(4) 4_565 3_655 ? 
O2 Eu01 O3 74.9(3) 3_655 3_655 ? 
O3 Eu01 O3 66.71(16) . 3_655 ? 
O3 Eu01 O3 102.1(3) 4_565 3_655 ? 
O3 Eu01 O3 66.71(16) 2_665 3_655 ? 
O2 Eu01 O6W 66.2(3) . . ? 
O2 Eu01 O6W 66.2(3) 2_665 . ? 
O2 Eu01 O6W 66.2(3) 4_565 . ? 
O2 Eu01 O6W 66.2(3) 3_655 . ? 
O3 Eu01 O6W 128.96(15) . . ? 
O3 Eu01 O6W 128.96(15) 4_565 . ? 
O3 Eu01 O6W 128.96(15) 2_665 . ? 
O3 Eu01 O6W 128.96(15) 3_655 . ? 
O2 Eu01 Eu02 105.7(3) . 3_655 ? 
O2 Eu01 Eu02 107.3(3) 2_665 3_655 ? 
O2 Eu01 Eu02 158.9(3) 4_565 3_655 ? 
O2 Eu01 Eu02 68.6(3) 3_655 3_655 ? 
O3 Eu01 Eu02 33.58(18) . 3_655 ? 
O3 Eu01 Eu02 86.96(16) 4_565 3_655 ? 
O3 Eu01 Eu02 86.96(15) 2_665 3_655 ? 
O3 Eu01 Eu02 33.56(17) 3_655 3_655 ? 
O6W Eu01 Eu02 134.805(18) . 3_655 ? 
O2 Eu01 Eu02 107.3(3) . 11_566 ? 
O2 Eu01 Eu02 105.7(3) 2_665 11_566 ? 
O2 Eu01 Eu02 68.6(3) 4_565 11_566 ? 
O2 Eu01 Eu02 158.9(3) 3_655 11_566 ? 
O3 Eu01 Eu02 86.96(15) . 11_566 ? 
O3 Eu01 Eu02 33.56(17) 4_565 11_566 ? 
O3 Eu01 Eu02 33.58(18) 2_665 11_566 ? 
O3 Eu01 Eu02 86.96(16) 3_655 11_566 ? 
O6W Eu01 Eu02 134.805(18) . 11_566 ? 
Eu02 Eu01 Eu02 90.39(4) 3_655 11_566 ? 
O2 Eu01 Eu02 158.9(3) . 9_666 ? 
O2 Eu01 Eu02 68.6(3) 2_665 9_666 ? 
O2 Eu01 Eu02 107.3(3) 4_565 9_666 ? 
O2 Eu01 Eu02 105.7(3) 3_655 9_666 ? 
O3 Eu01 Eu02 86.97(16) . 9_666 ? 
O3 Eu01 Eu02 86.96(16) 4_565 9_666 ? 
O3 Eu01 Eu02 33.56(17) 2_665 9_666 ? 
O3 Eu01 Eu02 33.58(18) 3_655 9_666 ? 
O6W Eu01 Eu02 134.805(18) . 9_666 ? 
Eu02 Eu01 Eu02 60.22(2) 3_655 9_666 ? 
Eu02 Eu01 Eu02 60.22(2) 11_566 9_666 ? 
O3 Eu02 O4 80.1(4) 10_556 . ? 
O3 Eu02 O3 65.2(3) 10_556 . ? 
O4 Eu02 O3 80.1(4) . . ? 
O3 Eu02 O5 143.2(3) 10_556 11_566 ? 
O4 Eu02 O5 119.9(7) . 11_566 ? 
O3 Eu02 O5 143.2(3) . 11_566 ? 
O3 Eu02 O3 102.2(3) 10_556 4_565 ? 
O4 Eu02 O3 143.2(3) . 4_565 ? 
O3 Eu02 O3 68.4(3) . 4_565 ? 
O5 Eu02 O3 80.1(5) 11_566 4_565 ? 
O3 Eu02 O3 68.4(3) 10_556 11_566 ? 
O4 Eu02 O3 143.2(3) . 11_566 ? 
O3 Eu02 O3 102.2(3) . 11_566 ? 
O5 Eu02 O3 80.1(5) 11_566 11_566 ? 
O3 Eu02 O3 65.2(3) 4_565 11_566 ? 
O3 Eu02 O1 139.9(3) 10_556 . ? 
O4 Eu02 O1 78.8(3) . . ? 
O3 Eu02 O1 77.7(3) . . ? 
O5 Eu02 O1 76.8(3) 11_566 . ? 
O3 Eu02 O1 76.4(3) 4_565 . ? 
O3 Eu02 O1 137.9(3) 11_566 . ? 
O3 Eu02 O1 77.7(3) 10_556 10_556 ? 
O4 Eu02 O1 78.8(3) . 10_556 ? 
O3 Eu02 O1 139.9(3) . 10_556 ? 
O5 Eu02 O1 76.8(3) 11_566 10_556 ? 
O3 Eu02 O1 137.9(3) 4_565 10_556 ? 
O3 Eu02 O1 76.4(3) 11_566 10_556 ? 
O1 Eu02 O1 130.0(5) . 10_556 ? 
O3 Eu02 C27 131.9(8) 10_556 11_566 ? 
O4 Eu02 C27 139.4(10) . 11_566 ? 
O3 Eu02 C27 131.9(8) . 11_566 ? 
O5 Eu02 C27 19.4(11) 11_566 11_566 ? 
O3 Eu02 C27 64.1(9) 4_565 11_566 ? 
O3 Eu02 C27 64.1(9) 11_566 11_566 ? 
O1 Eu02 C27 84.4(5) . 11_566 ? 
O1 Eu02 C27 84.4(5) 10_556 11_566 ? 
O3 Eu02 Eu01 86.24(16) 10_556 . ? 
O4 Eu02 Eu01 110.8(3) . . ? 
O3 Eu02 Eu01 34.40(17) . . ? 
O5 Eu02 Eu01 110.8(4) 11_566 . ? 
O3 Eu02 Eu01 34.41(18) 4_565 . ? 
O3 Eu02 Eu01 86.23(16) 11_566 . ? 
O1 Eu02 Eu01 70.2(3) . . ? 
O1 Eu02 Eu01 159.7(3) 10_556 . ? 
C27 Eu02 Eu01 97.5(7) 11_566 . ? 
O3 Eu02 Eu01 34.40(17) 10_556 9_666 ? 
O4 Eu02 Eu01 110.8(3) . 9_666 ? 
O3 Eu02 Eu01 86.24(16) . 9_666 ? 
O5 Eu02 Eu01 110.8(4) 11_566 9_666 ? 
O3 Eu02 Eu01 86.23(16) 4_565 9_666 ? 
O3 Eu02 Eu01 34.41(18) 11_566 9_666 ? 
O1 Eu02 Eu01 159.7(3) . 9_666 ? 
O1 Eu02 Eu01 70.2(3) 10_556 9_666 ? 
C27 Eu02 Eu01 97.5(7) 11_566 9_666 ? 
Eu01 Eu02 Eu01 89.61(4) . 9_666 ? 
O3 Eu02 Eu02 87.33(18) 10_556 11_566 ? 
O4 Eu02 Eu02 165.0(5) . 11_566 ? 
O3 Eu02 Eu02 87.33(18) . 11_566 ? 
O5 Eu02 Eu02 75.0(5) 11_566 11_566 ? 
O3 Eu02 Eu02 32.74(15) 4_565 11_566 ? 
O3 Eu02 Eu02 32.74(15) 11_566 11_566 ? 
O1 Eu02 Eu02 106.5(3) . 11_566 ? 
O1 Eu02 Eu02 106.5(3) 10_556 11_566 ? 
C27 Eu02 Eu02 55.6(11) 11_566 11_566 ? 
Eu01 Eu02 Eu02 59.887(10) . 11_566 ? 
Eu01 Eu02 Eu02 59.887(10) 9_666 11_566 ? 
Eu02 O3 Eu02 114.5(2) . 3_655 ? 
Eu02 O3 Eu01 112.0(3) . . ? 
Eu02 O3 Eu01 112.0(3) 3_655 . ? 
C17 O1 Eu02 134.0(11) . . ? 
C17 O2 Eu01 136.8(9) . . ? 
C13 C14 C13 118.7(8) 8_556 . ? 
C13 C14 C14 120.7(4) 8_556 2_565 ? 
C13 C14 C14 120.7(4) . 2_565 ? 
C12 C13 C14 120.7(6) . . ? 
C12 C13 C16 120.5(8) . . ? 
C14 C13 C16 118.6(9) . . ? 
C13 C12 C11 120.3(6) . . ? 
C13 C12 C8 119.8(9) . . ? 
C11 C12 C8 119.9(9) . . ? 
O1 C17 O2 129.4(16) . . ? 
O1 C17 C1 117.0(15) . . ? 
O2 C17 C1 113.5(12) . . ? 
C7 C8 C9 120.4(9) . . ? 
C7 C8 C12 119.7(12) . . ? 
C9 C8 C12 119.9(12) . . ? 
C10 C5 C4 120.1(8) . . ? 
C10 C5 C6 119.5(10) . . ? 
C4 C5 C6 120.2(8) . . ? 
C12 C11 C12 119.3(9) 8_556 . ? 
C12 C11 C15 120.4(5) 8_556 . ? 
C12 C11 C15 120.4(5) . . ? 
C13 C16 H16A 109.5 . . ? 
C13 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
C13 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
C3 C4 C5 119.7(8) . . ? 
C3 C4 C7 120.1(10) . . ? 
C5 C4 C7 120.1(8) . . ? 
C1 C6 C5 120.0(9) . . ? 
C1 C6 H6 120.0 . . ? 
C5 C6 H6 120.0 . . ? 
C8 C7 C4 119.3(9) . . ? 
C8 C7 H7 120.4 . . ? 
C4 C7 H7 120.4 . . ? 
C6 C1 C2 120.2(9) . . ? 
C6 C1 C17 121.0(10) . . ? 
C2 C1 C17 118.8(9) . . ? 
C5 C10 C9 119.4(9) . . ? 
C5 C10 H10 120.3 . . ? 
C9 C10 H10 120.3 . . ? 
C10 C9 C8 120.6(9) . . ? 
C10 C9 H9 119.7 . . ? 
C8 C9 H9 119.7 . . ? 
C3 C2 C1 119.7(9) . . ? 
C3 C2 H2 120.2 . . ? 
C1 C2 H2 120.2 . . ? 
C11 C15 H15A 109.5 . . ? 
C11 C15 H15B 109.5 . . ? 
H15A C15 H15B 109.5 . . ? 
C11 C15 H15C 109.5 . . ? 
H15A C15 H15C 109.5 . . ? 
H15B C15 H15C 109.5 . . ? 
C11 C15 H15A 109.476(6) . 8_556 ? 
H15A C15 H15A 141.1 . 8_556 ? 
H15B C15 H15A 56.3 . 8_556 ? 
H15C C15 H15A 56.2 . 8_556 ? 
C11 C15 H15B 109.467(1) . 8_556 ? 
H15A C15 H15B 56.3 . 8_556 ? 
H15B C15 H15B 141.1 . 8_556 ? 
H15C C15 H15B 56.3 . 8_556 ? 
H15A C15 H15B 109.5 8_556 8_556 ? 
C11 C15 H15C 109.468(7) . 8_556 ? 
H15A C15 H15C 56.2 . 8_556 ? 
H15B C15 H15C 56.3 . 8_556 ? 
H15C C15 H15C 141.1 . 8_556 ? 
H15A C15 H15C 109.5 8_556 8_556 ? 
H15B C15 H15C 109.5 8_556 8_556 ? 
C4 C3 C2 120.1(9) . . ? 
C4 C3 H3 119.9 . . ? 
C2 C3 H3 119.9 . . ? 
C27 O4 Eu02 123.1(19) . . ? 
C27 O5 Eu02 125(2) . 3_655 ? 
C22 C21 C26 120.5(11) . . ? 
C22 C21 C27 120.0(12) . . ? 
C26 C21 C27 119.5(12) . . ? 
C21 C22 C23 119.8(11) . . ? 
C21 C22 H22 120.1 . . ? 
C23 C22 H22 120.1 . . ? 
C24 C23 C22 119.6(11) . . ? 
C24 C23 H23 120.2 . . ? 
C22 C23 H23 120.2 . . ? 
C25 C24 C23 120.5(11) . . ? 
C25 C24 H24 119.8 . . ? 
C23 C24 H24 119.8 . . ? 
C24 C25 C26 119.9(11) . . ? 
C24 C25 H25 120.1 . . ? 
C26 C25 H25 120.1 . . ? 
C25 C26 C21 119.6(11) . . ? 
C25 C26 H26 120.2 . . ? 
C21 C26 H26 120.2 . . ? 
O5 C27 C21 109(3) . . ? 
O5 C27 O4 141(3) . . ? 
C21 C27 O4 110(3) . . ? 
O5 C27 Eu02 35.1(15) . 3_655 ? 
C21 C27 Eu02 144(3) . 3_655 ? 
O4 C27 Eu02 106(2) . 3_655 ? 
  
_refine_diff_density_max    0.986 
_refine_diff_density_min   -0.805 
_refine_diff_density_rms    0.083 
  
  
  
  
# start Validation Reply Form
_vrf_THETM01_shelx
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: As the single crystals of this compound were in thin-plate shape, 
and there are large pores occupied by highly disordered guest molecules in this
structure, no observable diffraction spots were found at high theta angles, 
which resulted in the low sine(theta_max)/wavelength value. 
Many attempts to improve the thichness and size of the single crystals failed.
;
_vrf_PLAT026_shelx
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        39% Check 
RESPONSE: As the single crystals of this compound are in thin-plate shape,
and there are large pores occupied by highly disordered guest molecules, 
most of the diffraction spots were weak. The ratio of observed diffraction spots 
to the unique diffraction spots (strong spots) is thus low. Many attempts 
to grow bigger or thicker single crystals to imporve the quality of diffraction data
failed.
;
_vrf_PLAT084_shelx
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: As the single crystals of this compound were in thin-plate shape,
and there are large pores occupied by highly disordered guest molecules, 
most of the diffraction spots were weak. The structure determination and 
refinement based on this set of diffraction data thus gave relatively high 
wR2 value, although the structure model is reasonable. Many attempts 
to grow bigger or thicker single crystals to imporve the quality of diffraction 
data failed.
;
# end Validation Reply Form


 
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C92 H68 Eu6 O34' 
_chemical_formula_weight          2629.22 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Eu'  'Eu'  -8.9294  11.1857 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       tetragonal 
_space_group_IT_number            128 
_space_group_name_H-M_alt         'P 4/m n c' 
_space_group_name_Hall            '-P 4 2n' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, z' 
 '-y, x, z' 
 'y, -x, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z+1/2' 
 'y+1/2, x+1/2, -z+1/2' 
 '-y+1/2, -x+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, y, -z' 
 'y, -x, -z' 
 '-y, x, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 '-x-1/2, y-1/2, z-1/2' 
 '-y-1/2, -x-1/2, z-1/2' 
 'y-1/2, x-1/2, z-1/2' 
  
_cell_length_a                    19.4615(2) 
_cell_length_b                    19.4615(2) 
_cell_length_c                    33.5718(6) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 90 
_cell_volume                      12715.3(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     6813 
_cell_measurement_theta_min       4.5200 
_cell_measurement_theta_max       73.6570 
  
_exptl_crystal_description        octahedral 
_exptl_crystal_colour             'clear light colourless' 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     0.687 
_exptl_crystal_F_000              2540 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.050 
_exptl_crystal_size_mid           0.030 
_exptl_crystal_size_min           0.010 
_exptl_absorpt_coefficient_mu     10.675 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.52260 
_exptl_absorpt_correction_T_max   1.00000 
_exptl_absorpt_process_details     
; 
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
; 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    'micro-focus sealed X-ray tube' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at home/near, AtlasS2' 
_diffrn_measurement_method        'ω scans' 
_diffrn_detector_area_resol_mean  10.3376 
_diffrn_reflns_number             38030 
_diffrn_reflns_av_unetI/netI      0.0546 
_diffrn_reflns_av_R_equivalents   0.0784 
_diffrn_reflns_limit_h_min        -24 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -35 
_diffrn_reflns_limit_l_max        42 
_diffrn_reflns_theta_min          4.154 
_diffrn_reflns_theta_max          76.911 
_diffrn_reflns_theta_full         67.679 
_diffrn_measured_fraction_theta_max   0.987 
_diffrn_measured_fraction_theta_full  0.998 
_diffrn_reflns_Laue_measured_fraction_max    0.987 
_diffrn_reflns_Laue_measured_fraction_full   0.998 
_diffrn_reflns_point_group_measured_fraction_max   0.987 
_diffrn_reflns_point_group_measured_fraction_full  0.998 
_reflns_number_total              6766 
_reflns_number_gt                 4171 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_cell_refinement        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_data_reduction         'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_structure_solution     ? 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
_refine_special_details           ? 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0841P)²] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          6766 
_refine_ls_number_parameters      160 
_refine_ls_number_restraints      18 
_refine_ls_R_factor_all           0.0844 
_refine_ls_R_factor_gt            0.0471 
_refine_ls_wR_factor_ref          0.1495 
_refine_ls_wR_factor_gt           0.1282 
_refine_ls_goodness_of_fit_ref    0.960 
_refine_ls_restrained_S_all       0.984 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Eu1 Eu 0.500000 0.500000 0.58088(2) 0.04075(14) Uani 1 4 d S T P . . 
Eu2 Eu 0.36778(2) 0.56252(3) 0.500000 0.06075(16) Uani 1 2 d S T P . . 
O1 O 0.5439(2) 0.5981(2) 0.61284(11) 0.0698(10) Uani 1 1 d . . . . . 
O2 O 0.5784(2) 0.6735(2) 0.56636(11) 0.0831(13) Uani 1 1 d . . . . . 
O3 O 0.41068(13) 0.46791(14) 0.53750(7) 0.0346(6) Uani 1 1 d . . . . . 
O4 O 0.2718(3) 0.4792(5) 0.500000 0.125(3) Uani 1 2 d S TU P . . 
O5 O 0.2438(7) 0.6076(9) 0.500000 0.116(5) Uani 0.5 2 d S TU P . . 
O6 O 0.3621(5) 0.6867(4) 0.500000 0.142(3) Uani 1 2 d S TU P . . 
C1 C 0.5645(3) 0.6569(3) 0.60143(17) 0.0689(16) Uani 1 1 d . . . . . 
C2 C 0.5685(3) 0.7113(3) 0.63257(14) 0.0592(13) Uani 1 1 d . . . . . 
C3 C 0.5941(4) 0.7752(3) 0.62391(16) 0.0782(18) Uani 1 1 d . . . . . 
H3 H 0.610055 0.784783 0.598400 0.094 Uiso 1 1 calc R U . . . 
C4 C 0.5961(4) 0.8252(3) 0.65290(17) 0.0811(19) Uani 1 1 d . . . . . 
H4 H 0.612910 0.868466 0.646289 0.097 Uiso 1 1 calc R U . . . 
C5 C 0.5741(3) 0.8135(3) 0.69151(15) 0.0594(13) Uani 1 1 d . . . . . 
C6 C 0.5502(4) 0.7489(3) 0.70061(18) 0.088(2) Uani 1 1 d . . . . . 
H6 H 0.535670 0.739275 0.726413 0.106 Uiso 1 1 calc R U . . . 
C7 C 0.5474(4) 0.6971(3) 0.67141(17) 0.087(2) Uani 1 1 d . . . . . 
H7 H 0.531608 0.653429 0.677997 0.104 Uiso 1 1 calc R U . . . 
C8 C 0.5756(3) 0.8694(3) 0.72206(15) 0.0583(13) Uani 1 1 d . . . . . 
C9 C 0.5246(3) 0.9191(3) 0.72245(15) 0.0564(12) Uani 1 1 d . . . . . 
C10 C 0.5270(2) 0.9730(2) 0.750000 0.0534(16) Uani 1 2 d S T P . . 
C11 C 0.6289(3) 0.8711(3) 0.750000 0.0604(19) Uani 1 2 d S T P . . 
C12 C 0.4642(3) 0.9138(3) 0.69360(19) 0.0807(18) Uani 1 1 d . . . . . 
H12A H 0.433711 0.951886 0.697665 0.121 Uiso 1 1 calc R U . . . 
H12B H 0.481045 0.914481 0.666723 0.121 Uiso 1 1 calc R U . . . 
H12C H 0.439972 0.871584 0.698270 0.121 Uiso 1 1 calc R U . . . 
C13 C 0.6837(3) 0.8163(3) 0.750000 0.085(3) Uani 1 2 d S T P . . 
H13A H 0.715933 0.825359 0.770985 0.128 Uiso 0.5 1 calc R U P . . 
H13B H 0.662797 0.772222 0.754166 0.128 Uiso 0.5 1 calc R U P . . 
H13C H 0.707132 0.816557 0.724849 0.128 Uiso 0.5 1 calc R U P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Eu1 O1 2.351(4) 4_565 ? 
Eu1 O1 2.351(4) 2_665 ? 
Eu1 O1 2.351(4) 3_655 ? 
Eu1 O1 2.351(4) . ? 
Eu1 O3 2.352(2) 3_655 ? 
Eu1 O3 2.352(2) 2_665 ? 
Eu1 O3 2.352(2) 4_565 ? 
Eu1 O3 2.352(2) . ? 
Eu1 Eu2 3.9337(4) 3_655 ? 
Eu1 Eu2 3.9337(4) 9_666 ? 
Eu1 Eu2 3.9337(4) 11_566 ? 
Eu1 Eu2 3.9337(4) . ? 
Eu2 O3 2.378(3) 4_565 ? 
Eu2 O3 2.378(3) 11_566 ? 
Eu2 O3 2.382(3) 10_556 ? 
Eu2 O3 2.382(3) . ? 
Eu2 O2 2.389(4) 12_656 ? 
Eu2 O2 2.389(4) 3_655 ? 
Eu2 O6 2.420(8) . ? 
Eu2 O4 2.474(8) . ? 
Eu2 O5 2.567(14) . ? 
Eu2 Eu2 4.0253(6) 3_655 ? 
O1 C1 1.271(7) . ? 
O2 C1 1.251(7) . ? 
C1 C2 1.491(7) . ? 
C2 C3 1.370(8) . ? 
C2 C7 1.395(7) . ? 
C3 C4 1.377(7) . ? 
C3 H3 0.9300 . ? 
C4 C5 1.384(7) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.376(8) . ? 
C5 C8 1.495(7) . ? 
C6 C7 1.407(7) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 C9 1.387(7) . ? 
C8 C11 1.399(6) . ? 
C9 C10 1.399(6) . ? 
C9 C12 1.526(7) . ? 
C10 C10 1.488(14) 2_675 ? 
C11 C13 1.507(10) . ? 
C12 H12A 0.9600 . ? 
C12 H12B 0.9600 . ? 
C12 H12C 0.9600 . ? 
C13 H13A 0.9600 . ? 
C13 H13B 0.9600 . ? 
C13 H13C 0.9600 . ? 
C13 H13A 0.9599 8_666 ? 
C13 H13B 0.9600 8_666 ? 
C13 H13C 0.9601 8_666 ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O1 Eu1 O1 77.98(8) 4_565 2_665 ? 
O1 Eu1 O1 125.68(19) 4_565 3_655 ? 
O1 Eu1 O1 77.98(8) 2_665 3_655 ? 
O1 Eu1 O1 77.97(8) 4_565 . ? 
O1 Eu1 O1 125.68(19) 2_665 . ? 
O1 Eu1 O1 77.98(8) 3_655 . ? 
O1 Eu1 O3 78.36(12) 4_565 3_655 ? 
O1 Eu1 O3 77.23(11) 2_665 3_655 ? 
O1 Eu1 O3 140.08(12) 3_655 3_655 ? 
O1 Eu1 O3 141.83(12) . 3_655 ? 
O1 Eu1 O3 77.23(11) 4_565 2_665 ? 
O1 Eu1 O3 140.08(12) 2_665 2_665 ? 
O1 Eu1 O3 141.83(12) 3_655 2_665 ? 
O1 Eu1 O3 78.36(12) . 2_665 ? 
O3 Eu1 O3 67.46(6) 3_655 2_665 ? 
O1 Eu1 O3 140.08(12) 4_565 4_565 ? 
O1 Eu1 O3 141.83(12) 2_665 4_565 ? 
O1 Eu1 O3 78.36(12) 3_655 4_565 ? 
O1 Eu1 O3 77.23(11) . 4_565 ? 
O3 Eu1 O3 103.49(12) 3_655 4_565 ? 
O3 Eu1 O3 67.46(6) 2_665 4_565 ? 
O1 Eu1 O3 141.83(12) 4_565 . ? 
O1 Eu1 O3 78.36(12) 2_665 . ? 
O1 Eu1 O3 77.23(11) 3_655 . ? 
O1 Eu1 O3 140.08(12) . . ? 
O3 Eu1 O3 67.46(6) 3_655 . ? 
O3 Eu1 O3 103.49(12) 2_665 . ? 
O3 Eu1 O3 67.46(6) 4_565 . ? 
O1 Eu1 Eu2 109.17(10) 4_565 3_655 ? 
O1 Eu1 Eu2 70.81(9) 2_665 3_655 ? 
O1 Eu1 Eu2 107.56(10) 3_655 3_655 ? 
O1 Eu1 Eu2 163.48(9) . 3_655 ? 
O3 Eu1 Eu2 34.04(6) 3_655 3_655 ? 
O3 Eu1 Eu2 88.56(6) 2_665 3_655 ? 
O3 Eu1 Eu2 88.51(6) 4_565 3_655 ? 
O3 Eu1 Eu2 33.94(6) . 3_655 ? 
O1 Eu1 Eu2 70.81(9) 4_565 9_666 ? 
O1 Eu1 Eu2 107.56(10) 2_665 9_666 ? 
O1 Eu1 Eu2 163.48(9) 3_655 9_666 ? 
O1 Eu1 Eu2 109.17(10) . 9_666 ? 
O3 Eu1 Eu2 33.94(6) 3_655 9_666 ? 
O3 Eu1 Eu2 34.04(6) 2_665 9_666 ? 
O3 Eu1 Eu2 88.56(6) 4_565 9_666 ? 
O3 Eu1 Eu2 88.51(6) . 9_666 ? 
Eu2 Eu1 Eu2 61.548(7) 3_655 9_666 ? 
O1 Eu1 Eu2 107.56(10) 4_565 11_566 ? 
O1 Eu1 Eu2 163.48(9) 2_665 11_566 ? 
O1 Eu1 Eu2 109.17(10) 3_655 11_566 ? 
O1 Eu1 Eu2 70.82(9) . 11_566 ? 
O3 Eu1 Eu2 88.51(6) 3_655 11_566 ? 
O3 Eu1 Eu2 33.94(6) 2_665 11_566 ? 
O3 Eu1 Eu2 34.04(6) 4_565 11_566 ? 
O3 Eu1 Eu2 88.56(6) . 11_566 ? 
Eu2 Eu1 Eu2 92.703(13) 3_655 11_566 ? 
Eu2 Eu1 Eu2 61.548(7) 9_666 11_566 ? 
O1 Eu1 Eu2 163.48(9) 4_565 . ? 
O1 Eu1 Eu2 109.17(10) 2_665 . ? 
O1 Eu1 Eu2 70.81(9) 3_655 . ? 
O1 Eu1 Eu2 107.56(10) . . ? 
O3 Eu1 Eu2 88.56(6) 3_655 . ? 
O3 Eu1 Eu2 88.51(6) 2_665 . ? 
O3 Eu1 Eu2 33.94(6) 4_565 . ? 
O3 Eu1 Eu2 34.04(6) . . ? 
Eu2 Eu1 Eu2 61.547(7) 3_655 . ? 
Eu2 Eu1 Eu2 92.703(13) 9_666 . ? 
Eu2 Eu1 Eu2 61.549(7) 11_566 . ? 
O3 Eu2 O3 63.93(12) 4_565 11_566 ? 
O3 Eu2 O3 99.33(12) 4_565 10_556 ? 
O3 Eu2 O3 66.57(12) 11_566 10_556 ? 
O3 Eu2 O3 66.57(12) 4_565 . ? 
O3 Eu2 O3 99.33(12) 11_566 . ? 
O3 Eu2 O3 63.82(11) 10_556 . ? 
O3 Eu2 O2 137.85(12) 4_565 12_656 ? 
O3 Eu2 O2 75.74(12) 11_566 12_656 ? 
O3 Eu2 O2 74.04(12) 10_556 12_656 ? 
O3 Eu2 O2 135.32(13) . 12_656 ? 
O3 Eu2 O2 75.74(12) 4_565 3_655 ? 
O3 Eu2 O2 137.85(12) 11_566 3_655 ? 
O3 Eu2 O2 135.32(13) 10_556 3_655 ? 
O3 Eu2 O2 74.04(12) . 3_655 ? 
O2 Eu2 O2 137.72(19) 12_656 3_655 ? 
O3 Eu2 O6 79.5(2) 4_565 . ? 
O3 Eu2 O6 79.5(2) 11_566 . ? 
O3 Eu2 O6 142.03(14) 10_556 . ? 
O3 Eu2 O6 142.03(14) . . ? 
O2 Eu2 O6 81.68(14) 12_656 . ? 
O2 Eu2 O6 81.68(14) 3_655 . ? 
O3 Eu2 O4 139.69(13) 4_565 . ? 
O3 Eu2 O4 139.69(13) 11_566 . ? 
O3 Eu2 O4 75.98(19) 10_556 . ? 
O3 Eu2 O4 75.98(19) . . ? 
O2 Eu2 O4 80.25(13) 12_656 . ? 
O2 Eu2 O4 80.25(13) 3_655 . ? 
O6 Eu2 O4 128.3(3) . . ? 
O3 Eu2 O5 134.0(3) 4_565 . ? 
O3 Eu2 O5 134.0(3) 11_566 . ? 
O3 Eu2 O5 126.4(3) 10_556 . ? 
O3 Eu2 O5 126.4(3) . . ? 
O2 Eu2 O5 68.86(10) 12_656 . ? 
O2 Eu2 O5 68.86(10) 3_655 . ? 
O6 Eu2 O5 67.4(5) . . ? 
O4 Eu2 O5 61.0(5) . . ? 
O3 Eu2 Eu1 33.52(6) 4_565 . ? 
O3 Eu2 Eu1 84.10(6) 11_566 . ? 
O3 Eu2 Eu1 84.05(6) 10_556 . ? 
O3 Eu2 Eu1 33.56(6) . . ? 
O2 Eu2 Eu1 154.69(10) 12_656 . ? 
O2 Eu2 Eu1 67.45(10) 3_655 . ? 
O6 Eu2 Eu1 109.82(16) . . ? 
O4 Eu2 Eu1 106.92(14) . . ? 
O5 Eu2 Eu1 136.09(4) . . ? 
O3 Eu2 Eu1 84.10(6) 4_565 9_666 ? 
O3 Eu2 Eu1 33.52(6) 11_566 9_666 ? 
O3 Eu2 Eu1 33.56(6) 10_556 9_666 ? 
O3 Eu2 Eu1 84.05(6) . 9_666 ? 
O2 Eu2 Eu1 67.45(10) 12_656 9_666 ? 
O2 Eu2 Eu1 154.69(10) 3_655 9_666 ? 
O6 Eu2 Eu1 109.82(16) . 9_666 ? 
O4 Eu2 Eu1 106.92(14) . 9_666 ? 
O5 Eu2 Eu1 136.09(4) . 9_666 ? 
Eu1 Eu2 Eu1 87.297(13) . 9_666 ? 
O3 Eu2 Eu2 86.01(6) 4_565 3_655 ? 
O3 Eu2 Eu2 86.01(6) 11_566 3_655 ? 
O3 Eu2 Eu2 32.22(6) 10_556 3_655 ? 
O3 Eu2 Eu2 32.22(6) . 3_655 ? 
O2 Eu2 Eu2 103.60(11) 12_656 3_655 ? 
O2 Eu2 Eu2 103.60(11) 3_655 3_655 ? 
O6 Eu2 Eu2 162.9(2) . 3_655 ? 
O4 Eu2 Eu2 68.7(2) . 3_655 ? 
O5 Eu2 Eu2 129.7(4) . 3_655 ? 
Eu1 Eu2 Eu2 59.226(4) . 3_655 ? 
Eu1 Eu2 Eu2 59.226(4) 9_666 3_655 ? 
C1 O1 Eu1 135.0(3) . . ? 
C1 O2 Eu2 139.7(4) . 11_566 ? 
Eu1 O3 Eu2 112.54(10) . 3_655 ? 
Eu1 O3 Eu2 112.40(11) . . ? 
Eu2 O3 Eu2 115.50(9) 3_655 . ? 
O2 C1 O1 125.9(5) . . ? 
O2 C1 C2 117.6(5) . . ? 
O1 C1 C2 116.4(5) . . ? 
C3 C2 C7 119.0(5) . . ? 
C3 C2 C1 121.0(5) . . ? 
C7 C2 C1 119.9(5) . . ? 
C2 C3 C4 120.1(5) . . ? 
C2 C3 H3 119.9 . . ? 
C4 C3 H3 119.9 . . ? 
C3 C4 C5 122.5(6) . . ? 
C3 C4 H4 118.8 . . ? 
C5 C4 H4 118.8 . . ? 
C6 C5 C4 117.6(5) . . ? 
C6 C5 C8 121.3(5) . . ? 
C4 C5 C8 121.1(5) . . ? 
C5 C6 C7 120.9(6) . . ? 
C5 C6 H6 119.6 . . ? 
C7 C6 H6 119.6 . . ? 
C2 C7 C6 119.8(6) . . ? 
C2 C7 H7 120.1 . . ? 
C6 C7 H7 120.1 . . ? 
C9 C8 C11 120.6(5) . . ? 
C9 C8 C5 120.0(4) . . ? 
C11 C8 C5 119.4(5) . . ? 
C8 C9 C10 120.3(5) . . ? 
C8 C9 C12 119.9(5) . . ? 
C10 C9 C12 119.8(5) . . ? 
C9 C10 C9 119.2(6) . 8_666 ? 
C9 C10 C10 120.4(3) . 2_675 ? 
C9 C10 C10 120.4(3) 8_666 2_675 ? 
C8 C11 C8 118.9(7) . 8_666 ? 
C8 C11 C13 120.5(3) . . ? 
C8 C11 C13 120.5(3) 8_666 . ? 
C9 C12 H12A 109.5 . . ? 
C9 C12 H12B 109.5 . . ? 
H12A C12 H12B 109.5 . . ? 
C9 C12 H12C 109.5 . . ? 
H12A C12 H12C 109.5 . . ? 
H12B C12 H12C 109.5 . . ? 
C11 C13 H13A 109.5 . . ? 
C11 C13 H13B 109.5 . . ? 
H13A C13 H13B 109.5 . . ? 
C11 C13 H13C 109.5 . . ? 
H13A C13 H13C 109.5 . . ? 
H13B C13 H13C 109.5 . . ? 
C11 C13 H13A 109.474(3) . 8_666 ? 
H13A C13 H13A 141.1 . 8_666 ? 
H13B C13 H13A 56.3 . 8_666 ? 
H13C C13 H13A 56.3 . 8_666 ? 
C11 C13 H13B 109.473(4) . 8_666 ? 
H13A C13 H13B 56.2 . 8_666 ? 
H13B C13 H13B 141.1 . 8_666 ? 
H13C C13 H13B 56.3 . 8_666 ? 
H13A C13 H13B 109.5 8_666 8_666 ? 
C11 C13 H13C 109.470(1) . 8_666 ? 
H13A C13 H13C 56.3 . 8_666 ? 
H13B C13 H13C 56.3 . 8_666 ? 
H13C C13 H13C 141.1 . 8_666 ? 
H13A C13 H13C 109.5 8_666 8_666 ? 
H13B C13 H13C 109.5 8_666 8_666 ? 
  
_refine_diff_density_max    0.714 
_refine_diff_density_min   -0.875 
_refine_diff_density_rms    0.076 
  
  
  
  

 
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C168 H84 N3 O47 Y9' 
_chemical_formula_weight          3696.57 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Y'  'Y'  -0.2670   2.0244 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       hexagonal 
_space_group_IT_number            191 
_space_group_name_H-M_alt         'P 6/m m m' 
_space_group_name_Hall            '-P 6 2' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-y, x-y, z' 
 '-x+y, -x, z' 
 '-x, -y, z' 
 'y, -x+y, z' 
 'x-y, x, z' 
 'y, x, -z' 
 'x-y, -y, -z' 
 '-x, -x+y, -z' 
 '-y, -x, -z' 
 '-x+y, y, -z' 
 'x, x-y, -z' 
 '-x, -y, -z' 
 'y, -x+y, -z' 
 'x-y, x, -z' 
 'x, y, -z' 
 '-y, x-y, -z' 
 '-x+y, -x, -z' 
 '-y, -x, z' 
 '-x+y, y, z' 
 'x, x-y, z' 
 'y, x, z' 
 'x-y, -y, z' 
 '-x, -x+y, z' 
  
_cell_length_a                    25.8315(2) 
_cell_length_b                    25.8315(2) 
_cell_length_c                    18.5628(3) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 120 
_cell_volume                      10726.9(2) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     19980 
_cell_measurement_theta_min       4.1460 
_cell_measurement_theta_max       72.6290 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     0.572 
_exptl_crystal_F_000              1840 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_absorpt_coefficient_mu     1.815 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.38151 
_exptl_absorpt_correction_T_max   1.00000 
_exptl_absorpt_process_details     
; 
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
; 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    'micro-focus sealed X-ray tube' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at home/near, AtlasS2' 
_diffrn_measurement_method        'ω scans' 
_diffrn_detector_area_resol_mean  5.1688 
_diffrn_reflns_number             66868 
_diffrn_reflns_av_unetI/netI      0.0193 
_diffrn_reflns_av_R_equivalents   0.0618 
_diffrn_reflns_limit_h_min        -32 
_diffrn_reflns_limit_h_max        31 
_diffrn_reflns_limit_k_min        -32 
_diffrn_reflns_limit_k_max        30 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        22 
_diffrn_reflns_theta_min          3.952 
_diffrn_reflns_theta_max          73.222 
_diffrn_reflns_theta_full         67.679 
_diffrn_measured_fraction_theta_max   0.982 
_diffrn_measured_fraction_theta_full  0.987 
_diffrn_reflns_Laue_measured_fraction_max    0.982 
_diffrn_reflns_Laue_measured_fraction_full   0.987 
_diffrn_reflns_point_group_measured_fraction_max   0.982 
_diffrn_reflns_point_group_measured_fraction_full  0.987 
_reflns_number_total              4048 
_reflns_number_gt                 3528 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_cell_refinement        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_data_reduction         'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_structure_solution     ? 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
_refine_special_details           ? 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.1000P)²+35.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          4048 
_refine_ls_number_parameters      171 
_refine_ls_number_restraints      457 
_refine_ls_R_factor_all           0.1221 
_refine_ls_R_factor_gt            0.1156 
_refine_ls_wR_factor_ref          0.2752 
_refine_ls_wR_factor_gt           0.2713 
_refine_ls_goodness_of_fit_ref    0.970 
_refine_ls_restrained_S_all       1.085 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
C1 C 1.000000 0.1914(3) 0.6272(6) 0.120(3) Uani 1 2 d S TU P . . 
C2 C 1.000000 0.2427(3) 0.6645(5) 0.159(5) Uani 1 2 d DS TU P . . 
C3 C 1.0401(6) 0.2692(6) 0.7210(7) 0.185(7) Uani 0.5 1 d D U P . . 
H3 H 1.066616 0.256007 0.732469 0.222 Uiso 0.5 1 calc R U P . . 
C4 C 1.0409(9) 0.3165(8) 0.7618(9) 0.216(7) Uani 0.5 1 d D U P . . 
C5 C 1.000000 0.3323(6) 0.7437(9) 0.238(7) Uani 1 2 d DS TU P . . 
C6 C 0.9594(8) 0.3067(8) 0.6887(9) 0.208(7) Uani 0.5 1 d D U P . . 
H6 H 0.932059 0.319104 0.678642 0.249 Uiso 0.5 1 calc R U P . . 
C7 C 0.9601(7) 0.2616(7) 0.6483(9) 0.206(7) Uani 0.5 1 d D U P . . 
H7 H 0.933555 0.244190 0.610226 0.247 Uiso 0.5 1 calc R U P . . 
C8 C 1.000000 0.3821(5) 0.7628(8) 0.257(7) Uani 1 2 d DS TU P . . 
H8 H 0.975322 0.392998 0.738728 0.309 Uiso 0.5 1 calc R U P . . 
C12 C 1.000000 0.500000 0.8152(9) 0.163(9) Uani 0.5 4 d DS TU P . . 
H12 H 1.000000 0.500000 0.765080 0.195 Uiso 0.5 4 calc R U P . . 
C13 C 1.0216(7) 0.4664(6) 0.8510(6) 0.190(7) Uani 0.5 1 d D U P . . 
C14 C 1.0207(7) 0.4658(5) 0.9273(5) 0.180(7) Uani 0.5 1 d D U P . . 
C15 C 1.000000 0.500000 0.9634(7) 0.198(7) Uani 1 4 d DS TU P . . 
N1 N 1.0254(18) 0.4438(14) 1.000000 0.164(9) Uani 0.25 2 d DS TU P . . 
C16 C 1.0435(17) 0.3962(14) 1.000000 0.123(10) Uani 0.25 2 d DS TU P . . 
H16A H 1.045408 0.384719 0.951299 0.185 Uiso 0.125 1 calc R U P . . 
H16B H 1.081988 0.411756 1.022296 0.185 Uiso 0.125 1 calc R U P . . 
H16C H 1.014518 0.361890 1.026405 0.185 Uiso 0.125 1 calc R U P . . 
O1 O 1.000000 0.10572(17) 0.500000 0.0593(13) Uani 1 4 d S TU P . . 
O2 O 1.000000 0.000000 0.5703(4) 0.0303(14) Uani 1 12 d S TU P . . 
O3 O 0.9634(3) 0.0366(3) 0.7213(6) 0.136(5) Uani 0.5 2 d S TU P . . 
O4 O 0.95017(2) 0.04983(2) 0.60463(6) 0.0623(4) Uani 0.5 2 d S TU P . . 
O5 O 1.0460(4) 0.2128(4) 0.5798(5) 0.109(3) Uani 0.5 1 d . U P . . 
O6 O 0.9649(4) 0.1401(4) 0.6359(5) 0.110(2) Uani 0.5 1 d . U P . . 
Y1 Y 0.95017(2) 0.04983(2) 0.60463(6) 0.0623(4) Uani 0.5 2 d S TU P . . 
Y2 Y 0.91134(3) 0.08866(3) 0.500000 0.0669(5) Uani 0.5 4 d S TU P . . 
C10 C 1.0735(10) 0.3997(9) 0.8419(12) 0.255(8) Uani 0.5 1 d D U P . . 
H10 H 1.097309 0.420629 0.881002 0.306 Uiso 0.5 1 calc R U P . . 
C9 C 1.0353(9) 0.4168(9) 0.8166(11) 0.238(8) Uani 0.5 1 d D U P . . 
C11 C 1.0800(10) 0.3550(9) 0.8154(12) 0.254(8) Uani 0.5 1 d D U P . . 
H11 H 1.110578 0.349239 0.832431 0.305 Uiso 0.5 1 calc R U P . . 
O7 O 0.8568(4) 0.1432(4) 0.500000 0.169(8) Uani 0.5 4 d S TU P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
C1 O6 1.184(10) . ? 
C1 O6 1.184(10) 24_765 ? 
C1 O5 1.354(11) . ? 
C1 O5 1.354(11) 24_765 ? 
C1 C2 1.495(11) . ? 
C2 C7 1.375(11) 24_765 ? 
C2 C7 1.375(11) . ? 
C2 C3 1.391(11) . ? 
C2 C3 1.391(11) 24_765 ? 
C3 C4 1.427(11) . ? 
C3 H3 0.9300 . ? 
C4 C5 1.351(11) . ? 
C4 C11 1.412(12) . ? 
C4 C6 1.57(2) 24_765 ? 
C4 C4 1.83(4) 24_765 ? 
C5 C8 1.335(11) . ? 
C5 C6 1.373(11) . ? 
C5 C6 1.373(11) 24_765 ? 
C6 C7 1.393(11) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 C9 1.347(12) . ? 
C8 H8 0.9300 . ? 
C8 H8 0.9300 24_765 ? 
C12 C13 1.412(10) 4_765 ? 
C12 C13 1.412(10) . ? 
C12 H12 0.9300 . ? 
C13 C13 0.97(3) 24_765 ? 
C13 C14 1.416(10) . ? 
C13 C9 1.621(13) . ? 
C13 C14 1.70(2) 24_765 ? 
C13 C9 2.04(2) 24_765 ? 
C14 C14 0.93(3) 24_765 ? 
C14 C15 1.411(10) . ? 
C14 N1 1.493(14) . ? 
C14 N1 1.81(3) 9_767 ? 
C15 C15 1.36(2) 13_767 ? 
N1 C16 1.518(19) . ? 
C16 H16A 0.9600 . ? 
C16 H16B 0.9600 . ? 
C16 H16C 0.9600 . ? 
C16 H16A 0.9600 16_557 ? 
C16 H16B 0.9600 16_557 ? 
C16 H16C 0.9599 16_557 ? 
O1 Y2 2.1047(19) 14_666 ? 
O1 Y2 2.1047(19) . ? 
O1 Y1 2.3780(18) 14_666 ? 
O1 Y1 2.3780(18) . ? 
O2 Y1 2.319(2) 3_765 ? 
O2 Y1 2.319(2) 2_645 ? 
O2 Y1 2.319(2) 4_755 ? 
O2 Y1 2.319(2) . ? 
O3 O3 1.638(15) 6_545 ? 
O3 O3 1.638(15) 5_665 ? 
O3 Y1 2.246(12) . ? 
O5 O6 1.353(13) 24_765 ? 
O5 Y2 2.293(9) 14_666 ? 
O6 O6 1.572(19) 24_765 ? 
O6 Y1 2.243(8) . ? 
O6 Y2 2.864(10) . ? 
Y1 Y2 2.6058(15) . ? 
Y1 Y1 3.8615(16) 3_765 ? 
Y2 O7 2.440(17) . ? 
C10 C9 1.352(12) . ? 
C10 C11 1.340(12) . ? 
C10 H10 0.9300 . ? 
C9 C9 1.58(4) 24_765 ? 
C11 H11 0.9300 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O6 C1 O6 83.2(11) . 24_765 ? 
O6 C1 O5 124.8(9) . . ? 
O6 C1 O5 64.0(7) 24_765 . ? 
O6 C1 O5 64.0(7) . 24_765 ? 
O6 C1 O5 124.8(9) 24_765 24_765 ? 
O5 C1 O5 98.9(11) . 24_765 ? 
O6 C1 C2 126.1(6) . . ? 
O6 C1 C2 126.1(6) 24_765 . ? 
O5 C1 C2 109.1(6) . . ? 
O5 C1 C2 109.1(6) 24_765 . ? 
C7 C2 C7 80.8(17) 24_765 . ? 
C7 C2 C3 70.0(10) 24_765 . ? 
C7 C2 C3 119.6(8) . . ? 
C7 C2 C3 119.6(8) 24_765 24_765 ? 
C7 C2 C3 70.0(10) . 24_765 ? 
C3 C2 C3 80.2(12) . 24_765 ? 
C7 C2 C1 123.1(6) 24_765 . ? 
C7 C2 C1 123.1(6) . . ? 
C3 C2 C1 117.2(6) . . ? 
C3 C2 C1 117.2(6) 24_765 . ? 
C2 C3 C4 120.7(9) . . ? 
C2 C3 H3 119.7 . . ? 
C4 C3 H3 119.7 . . ? 
C5 C4 C11 110.7(8) . . ? 
C5 C4 C3 116.6(8) . . ? 
C11 C4 C3 132.4(11) . . ? 
C5 C4 C6 55.4(8) . 24_765 ? 
C11 C4 C6 115.7(17) . 24_765 ? 
C3 C4 C6 88.5(10) . 24_765 ? 
C5 C4 C4 47.4(11) . 24_765 ? 
C11 C4 C4 128.3(12) . 24_765 ? 
C3 C4 C4 89.3(9) . 24_765 ? 
C6 C4 C4 89.8(12) 24_765 24_765 ? 
C4 C5 C4 85(2) 24_765 . ? 
C4 C5 C8 127.0(7) 24_765 . ? 
C4 C5 C8 127.0(7) . . ? 
C4 C5 C6 70.6(12) 24_765 . ? 
C4 C5 C6 124.2(8) . . ? 
C8 C5 C6 107.2(12) . . ? 
C4 C5 C6 124.2(8) 24_765 24_765 ? 
C4 C5 C6 70.6(12) . 24_765 ? 
C8 C5 C6 107.2(12) . 24_765 ? 
C6 C5 C6 82.8(19) . 24_765 ? 
C5 C6 C7 118.5(9) . . ? 
C5 C6 H6 120.7 . . ? 
C7 C6 H6 120.7 . . ? 
C2 C7 C6 120.3(9) . . ? 
C2 C7 H7 119.8 . . ? 
C6 C7 H7 119.8 . . ? 
C9 C8 C5 120.8(10) . . ? 
C9 C8 H8 119.6 . . ? 
C5 C8 H8 119.6 . . ? 
C9 C8 H8 78.3(12) . 24_765 ? 
C5 C8 H8 119.6(7) . 24_765 ? 
H8 C8 H8 72.8 . 24_765 ? 
C13 C12 C13 123.8(9) 4_765 . ? 
C13 C12 H12 118.1 4_765 . ? 
C13 C12 H12 118.1 . . ? 
C13 C13 C12 70.0(7) 24_765 . ? 
C13 C13 C14 89.2(6) 24_765 . ? 
C12 C13 C14 117.9(6) . . ? 
C13 C13 C9 100.9(9) 24_765 . ? 
C12 C13 C9 127.6(8) . . ? 
C14 C13 C9 113.2(9) . . ? 
C13 C13 C14 56.2(8) 24_765 24_765 ? 
C12 C13 C14 101.7(9) . 24_765 ? 
C14 C13 C14 33.0(10) . 24_765 ? 
C9 C13 C14 115.5(12) . 24_765 ? 
C13 C13 C9 51.3(6) 24_765 24_765 ? 
C12 C13 C9 102.7(10) . 24_765 ? 
C14 C13 C9 107.6(9) . 24_765 ? 
C9 C13 C9 49.5(13) . 24_765 ? 
C14 C13 C9 84.9(10) 24_765 24_765 ? 
C14 C14 C15 70.8(6) 24_765 . ? 
C14 C14 C13 90.8(6) 24_765 . ? 
C15 C14 C13 118.5(6) . . ? 
C14 C14 N1 94.1(15) 24_765 . ? 
C15 C14 N1 86.4(11) . . ? 
C13 C14 N1 154.7(10) . . ? 
C14 C14 C13 56.2(8) 24_765 24_765 ? 
C15 C14 C13 102.1(9) . 24_765 ? 
C13 C14 C13 34.6(10) . 24_765 ? 
N1 C14 C13 142.3(16) . 24_765 ? 
C14 C14 N1 55.3(13) 24_765 9_767 ? 
C15 C14 N1 75.1(10) . 9_767 ? 
C13 C14 N1 138.9(13) . 9_767 ? 
N1 C14 N1 39(3) . 9_767 ? 
C13 C14 N1 107.6(16) 24_765 9_767 ? 
C15 C15 C14 118.4(4) 13_767 21 ? 
C15 C15 C14 118.4(4) 13_767 24_765 ? 
C14 C15 C14 123.3(9) 21 24_765 ? 
C15 C15 C14 118.4(4) 13_767 . ? 
C14 C15 C14 109.4(10) 21 . ? 
C14 C15 C14 38.4(13) 24_765 . ? 
C15 C15 C14 118.4(4) 13_767 4_765 ? 
C14 C15 C14 38.4(13) 21 4_765 ? 
C14 C15 C14 109.4(10) 24_765 4_765 ? 
C14 C15 C14 123.3(9) . 4_765 ? 
C14 N1 C14 129.4(19) 16_557 . ? 
C14 N1 C16 115.1(10) 16_557 . ? 
C14 N1 C16 115.1(10) . . ? 
C14 N1 C14 30.7(11) 16_557 9_767 ? 
C14 N1 C14 119(2) . 9_767 ? 
C16 N1 C14 119.1(14) . 9_767 ? 
N1 C16 H16A 109.5 . . ? 
N1 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
N1 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
N1 C16 H16A 109.47(10) . 16_557 ? 
H16A C16 H16A 140.7 . 16_557 ? 
H16B C16 H16A 61.4 . 16_557 ? 
H16C C16 H16A 51.1 . 16_557 ? 
N1 C16 H16B 109.5(18) . 16_557 ? 
H16A C16 H16B 61.4 . 16_557 ? 
H16B C16 H16B 51.1 . 16_557 ? 
H16C C16 H16B 140.7 . 16_557 ? 
H16A C16 H16B 109.5 16_557 16_557 ? 
N1 C16 H16C 109.5(17) . 16_557 ? 
H16A C16 H16C 51.1 . 16_557 ? 
H16B C16 H16C 140.7 . 16_557 ? 
H16C C16 H16C 61.4 . 16_557 ? 
H16A C16 H16C 109.5 16_557 16_557 ? 
H16B C16 H16C 109.5 16_557 16_557 ? 
Y2 O1 Y2 140.9(2) 14_666 . ? 
Y2 O1 Y1 70.79(3) 14_666 14_666 ? 
Y2 O1 Y1 123.665(18) . 14_666 ? 
Y2 O1 Y1 123.665(18) 14_666 . ? 
Y2 O1 Y1 70.79(3) . . ? 
Y1 O1 Y1 140.7(2) 14_666 . ? 
Y1 O2 Y1 112.75(14) 3_765 2_645 ? 
Y1 O2 Y1 57.47(5) 3_765 4_755 ? 
Y1 O2 Y1 57.47(5) 2_645 4_755 ? 
Y1 O2 Y1 112.75(14) 3_765 . ? 
Y1 O2 Y1 112.75(14) 2_645 . ? 
Y1 O2 Y1 148.1(3) 4_755 . ? 
O3 O3 O3 119.997(2) 6_545 5_665 ? 
O3 O3 Y1 97.56(18) 6_545 . ? 
O3 O3 Y1 97.56(18) 5_665 . ? 
O6 O5 C1 51.9(6) 24_765 . ? 
O6 O5 Y2 100.3(6) 24_765 14_666 ? 
C1 O5 Y2 139.1(6) . 14_666 ? 
C1 O6 O5 64.1(8) . 24_765 ? 
C1 O6 O6 48.4(5) . 24_765 ? 
O5 O6 O6 100.3(6) 24_765 24_765 ? 
C1 O6 Y1 139.8(7) . . ? 
O5 O6 Y1 111.1(6) 24_765 . ? 
O6 O6 Y1 98.4(2) 24_765 . ? 
C1 O6 Y2 108.7(9) . . ? 
O5 O6 Y2 52.0(5) 24_765 . ? 
O6 O6 Y2 114.71(18) 24_765 . ? 
Y1 O6 Y2 59.9(2) . . ? 
O4 Y1 O4 120.000(1) 6_545 5_665 ? 
O4 Y1 O3 82.44(18) 6_545 . ? 
O4 Y1 O3 82.44(18) 5_665 . ? 
O4 Y1 O6 154.2(2) 6_545 . ? 
O4 Y1 O6 81.6(2) 5_665 . ? 
O3 Y1 O6 87.1(4) . . ? 
O4 Y1 O6 81.6(2) 6_545 19_665 ? 
O4 Y1 O6 154.2(2) 5_665 19_665 ? 
O3 Y1 O6 87.1(4) . 19_665 ? 
O6 Y1 O6 74.4(5) . 19_665 ? 
O4 Y1 O2 61.27(3) 6_545 . ? 
O4 Y1 O2 61.27(3) 5_665 . ? 
O3 Y1 O2 90.7(4) . . ? 
O6 Y1 O2 142.7(2) . . ? 
O6 Y1 O2 142.7(2) 19_665 . ? 
O4 Y1 O1 62.05(3) 6_545 15_546 ? 
O4 Y1 O1 121.72(9) 5_665 15_546 ? 
O3 Y1 O1 143.41(10) . 15_546 ? 
O6 Y1 O1 121.0(3) . 15_546 ? 
O6 Y1 O1 79.7(3) 19_665 15_546 ? 
O2 Y1 O1 80.23(17) . 15_546 ? 
O4 Y1 O1 121.72(9) 6_545 . ? 
O4 Y1 O1 62.05(3) 5_665 . ? 
O3 Y1 O1 143.41(10) . . ? 
O6 Y1 O1 79.7(3) . . ? 
O6 Y1 O1 121.0(3) 19_665 . ? 
O2 Y1 O1 80.23(17) . . ? 
O1 Y1 O1 70.08(9) 15_546 . ? 
O4 Y1 Y2 109.471(12) 6_545 . ? 
O4 Y1 Y2 109.471(12) 5_665 . ? 
O3 Y1 Y2 153.4(4) . . ? 
O6 Y1 Y2 72.0(3) . . ? 
O6 Y1 Y2 72.0(3) 19_665 . ? 
O2 Y1 Y2 115.86(17) . . ? 
O1 Y1 Y2 49.70(6) 15_546 . ? 
O1 Y1 Y2 49.70(6) . . ? 
O4 Y1 O6 163.8(2) 6_545 24_765 ? 
O4 Y1 O6 49.42(18) 5_665 24_765 ? 
O3 Y1 O6 83.7(3) . 24_765 ? 
O6 Y1 O6 32.2(4) . 24_765 ? 
O6 Y1 O6 106.09(16) 19_665 24_765 ? 
O2 Y1 O6 110.63(18) . 24_765 ? 
O1 Y1 O6 132.7(2) 15_546 24_765 ? 
O1 Y1 O6 67.1(2) . 24_765 ? 
Y2 Y1 O6 86.7(2) . 24_765 ? 
O4 Y1 O6 49.42(18) 6_545 6_545 ? 
O4 Y1 O6 163.8(2) 5_665 6_545 ? 
O3 Y1 O6 83.7(3) . 6_545 ? 
O6 Y1 O6 106.09(16) . 6_545 ? 
O6 Y1 O6 32.2(4) 19_665 6_545 ? 
O2 Y1 O6 110.63(18) . 6_545 ? 
O1 Y1 O6 67.1(2) 15_546 6_545 ? 
O1 Y1 O6 132.7(2) . 6_545 ? 
Y2 Y1 O6 86.7(2) . 6_545 ? 
O6 Y1 O6 136.8(4) 24_765 6_545 ? 
O4 Y1 Y1 90.0 6_545 3_765 ? 
O4 Y1 Y1 30.000(1) 5_665 3_765 ? 
O3 Y1 Y1 76.8(3) . 3_765 ? 
O6 Y1 Y1 110.5(2) . 3_765 ? 
O6 Y1 Y1 162.7(3) 19_665 3_765 ? 
O2 Y1 Y1 33.63(7) . 3_765 ? 
O1 Y1 Y1 109.66(10) 15_546 3_765 ? 
O1 Y1 Y1 76.25(7) . 3_765 ? 
Y2 Y1 Y1 125.26(2) . 3_765 ? 
O6 Y1 Y1 78.65(18) 24_765 3_765 ? 
O6 Y1 Y1 137.14(19) 6_545 3_765 ? 
O1 Y2 O1 80.9(2) . 15_546 ? 
O1 Y2 O5 134.8(3) . 15_546 ? 
O1 Y2 O5 79.7(2) 15_546 15_546 ? 
O1 Y2 O5 79.7(2) . 24_765 ? 
O1 Y2 O5 134.8(3) 15_546 24_765 ? 
O5 Y2 O5 139.5(5) 15_546 24_765 ? 
O1 Y2 O5 134.8(3) . 6_545 ? 
O1 Y2 O5 79.7(2) 15_546 6_545 ? 
O5 Y2 O5 80.5(5) 15_546 6_545 ? 
O5 Y2 O5 85.8(5) 24_765 6_545 ? 
O1 Y2 O5 79.7(2) . 9_766 ? 
O1 Y2 O5 134.8(3) 15_546 9_766 ? 
O5 Y2 O5 85.8(5) 15_546 9_766 ? 
O5 Y2 O5 80.5(5) 24_765 9_766 ? 
O5 Y2 O5 139.5(5) 6_545 9_766 ? 
O1 Y2 O7 139.55(12) . . ? 
O1 Y2 O7 139.55(12) 15_546 . ? 
O5 Y2 O7 69.8(2) 15_546 . ? 
O5 Y2 O7 69.8(2) 24_765 . ? 
O5 Y2 O7 69.8(2) 6_545 . ? 
O5 Y2 O7 69.8(2) 9_766 . ? 
O1 Y2 O4 59.51(7) . 16_556 ? 
O1 Y2 O4 59.51(7) 15_546 16_556 ? 
O5 Y2 O4 75.5(2) 15_546 16_556 ? 
O5 Y2 O4 135.4(2) 24_765 16_556 ? 
O5 Y2 O4 135.4(2) 6_545 16_556 ? 
O5 Y2 O4 75.5(2) 9_766 16_556 ? 
O7 Y2 O4 131.81(3) . 16_556 ? 
O1 Y2 Y1 59.51(7) . . ? 
O1 Y2 Y1 59.51(7) 15_546 . ? 
O5 Y2 Y1 135.4(2) 15_546 . ? 
O5 Y2 Y1 75.5(2) 24_765 . ? 
O5 Y2 Y1 75.5(2) 6_545 . ? 
O5 Y2 Y1 135.4(2) 9_766 . ? 
O7 Y2 Y1 131.81(3) . . ? 
O4 Y2 Y1 96.38(6) 16_556 . ? 
O1 Y2 O6 71.37(17) . . ? 
O1 Y2 O6 107.1(2) 15_546 . ? 
O5 Y2 O6 153.7(3) 15_546 . ? 
O5 Y2 O6 27.7(3) 24_765 . ? 
O5 Y2 O6 76.0(3) 6_545 . ? 
O5 Y2 O6 104.6(3) 9_766 . ? 
O7 Y2 O6 90.94(17) . . ? 
O4 Y2 O6 130.21(17) 16_556 . ? 
Y1 Y2 O6 48.13(19) . . ? 
O1 Y2 O6 107.1(2) . 10_666 ? 
O1 Y2 O6 71.37(17) 15_546 10_666 ? 
O5 Y2 O6 27.7(3) 15_546 10_666 ? 
O5 Y2 O6 153.7(3) 24_765 10_666 ? 
O5 Y2 O6 104.6(3) 6_545 10_666 ? 
O5 Y2 O6 76.0(3) 9_766 10_666 ? 
O7 Y2 O6 90.94(17) . 10_666 ? 
O4 Y2 O6 48.14(19) 16_556 10_666 ? 
Y1 Y2 O6 130.21(17) . 10_666 ? 
O6 Y2 O6 178.1(3) . 10_666 ? 
C9 C10 C11 125.4(10) . . ? 
C9 C10 H10 117.3 . . ? 
C11 C10 H10 117.3 . . ? 
C8 C9 C10 113.7(9) . . ? 
C8 C9 C9 54.1(10) . 24_765 ? 
C10 C9 C9 129.2(16) . 24_765 ? 
C8 C9 C13 118.4(10) . . ? 
C10 C9 C13 127.2(10) . . ? 
C9 C9 C13 79.1(9) 24_765 . ? 
C8 C9 C13 95.7(11) . 24_765 ? 
C10 C9 C13 141.4(17) . 24_765 ? 
C9 C9 C13 51.3(6) 24_765 24_765 ? 
C13 C9 C13 27.8(9) . 24_765 ? 
C8 C9 H8 38.2(5) . 24_765 ? 
C10 C9 H8 121.2(16) . 24_765 ? 
C9 C9 H8 80.7(9) 24_765 24_765 ? 
C13 C9 H8 105.0(10) . 24_765 ? 
C13 C9 H8 97.4(9) 24_765 24_765 ? 
C10 C11 C4 120.8(10) . . ? 
C10 C11 H11 119.6 . . ? 
C4 C11 H11 119.6 . . ? 
  
_refine_diff_density_max    2.413 
_refine_diff_density_min   -1.383 
_refine_diff_density_rms    0.087 
  
  
  
  
_vrf_PLAT430_shelx
;
PROBLEM: Short Inter D...A Contact  O2       ..O2       .       2.61 Ang.  
RESPONSE: The two neighboring O2 atoms are located inside a Y12 cluster, 
and the O2...O2 distance is close to those of similar lanthnide-12 clusters
reported in the literature.
;
# end Validation Reply Form

 
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C82 H36 N2 O32 Yb6' 
_chemical_formula_weight          2599.37 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Yb'  'Yb'  -7.2108   4.4329 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       orthorhombic 
_space_group_IT_number            71 
_space_group_name_H-M_alt         'I m m m' 
_space_group_name_Hall            '-I 2 2' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, z' 
 '-x, y, -z' 
 'x, -y, -z' 
 'x+1/2, y+1/2, z+1/2' 
 '-x+1/2, -y+1/2, z+1/2' 
 '-x+1/2, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x, y, -z' 
 'x, -y, z' 
 '-x, y, z' 
 '-x+1/2, -y+1/2, -z+1/2' 
 'x+1/2, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, z+1/2' 
 '-x+1/2, y+1/2, z+1/2' 
  
_cell_length_a                    20.6796(8) 
_cell_length_b                    32.4900(5) 
_cell_length_c                    34.0670(6) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 90 
_cell_volume                      22888.9(10) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     6271 
_cell_measurement_theta_min       3.6170 
_cell_measurement_theta_max       74.5960 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             'clear light yellow' 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     0.754 
_exptl_crystal_F_000              4872 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.050 
_exptl_crystal_size_mid           0.030 
_exptl_crystal_size_min           0.010 
_exptl_absorpt_coefficient_mu     4.604 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.00602 
_exptl_absorpt_correction_T_max   1.00000 
_exptl_absorpt_process_details     
; 
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
; 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    'micro-focus sealed X-ray tube' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at home/near, AtlasS2' 
_diffrn_measurement_method        'ω scans' 
_diffrn_detector_area_resol_mean  10.3376 
_diffrn_reflns_number             40408 
_diffrn_reflns_av_unetI/netI      0.0690 
_diffrn_reflns_av_R_equivalents   0.0618 
_diffrn_reflns_limit_h_min        -23 
_diffrn_reflns_limit_h_max        25 
_diffrn_reflns_limit_k_min        -24 
_diffrn_reflns_limit_k_max        40 
_diffrn_reflns_limit_l_min        -42 
_diffrn_reflns_limit_l_max        42 
_diffrn_reflns_theta_min          3.626 
_diffrn_reflns_theta_max          76.553 
_diffrn_reflns_theta_full         67.679 
_diffrn_measured_fraction_theta_max   0.980 
_diffrn_measured_fraction_theta_full  0.996 
_diffrn_reflns_Laue_measured_fraction_max    0.980 
_diffrn_reflns_Laue_measured_fraction_full   0.996 
_diffrn_reflns_point_group_measured_fraction_max   0.980 
_diffrn_reflns_point_group_measured_fraction_full  0.996 
_reflns_number_total              12569 
_reflns_number_gt                 6945 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_cell_refinement        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_data_reduction         'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_structure_solution     ? 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
_refine_special_details           ? 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0887P)²] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          12569 
_refine_ls_number_parameters      292 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0987 
_refine_ls_R_factor_gt            0.0629 
_refine_ls_wR_factor_ref          0.1906 
_refine_ls_wR_factor_gt           0.1681 
_refine_ls_goodness_of_fit_ref    1.008 
_refine_ls_restrained_S_all       1.008 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Yb1 Yb 0.000000 0.78715(2) 0.42092(2) 0.05502(15) Uani 1 2 d S T P . . 
Yb2 Yb 0.09292(3) 0.84808(2) 0.500000 0.05759(17) Uani 1 2 d S T P . . 
Yb3 Yb 0.09279(3) 0.73082(2) 0.500000 0.05865(17) Uani 1 2 d S T P . . 
O1 O 0.0710(3) 0.74100(16) 0.39273(14) 0.0679(14) Uani 1 1 d . . . . . 
O2 O 0.1241(3) 0.70794(17) 0.44010(13) 0.0771(16) Uani 1 1 d . . . . . 
O3 O 0.4310(3) 0.66867(16) 0.10569(13) 0.0642(13) Uani 1 1 d . . . . . 
O4 O 0.3732(3) 0.63231(17) 0.06231(13) 0.0743(15) Uani 1 1 d . . . . . 
O5 O 0.0830(2) 0.78878(11) 0.46429(10) 0.0441(9) Uani 1 1 d . . . . . 
O6 O 0.000000 0.8454(2) 0.46467(16) 0.0528(16) Uani 1 2 d S T P . . 
O7 O 0.000000 0.73181(17) 0.46373(15) 0.0436(13) Uani 1 2 d S T P . . 
O8 O 0.1971(5) 0.7518(3) 0.500000 0.091(3) Uani 1 2 d S T P . . 
O9 O 0.1962(4) 0.8244(3) 0.500000 0.081(2) Uani 1 2 d S T P . . 
O10 O 0.0685(6) 0.6607(2) 0.500000 0.105(3) Uani 1 2 d S T P . . 
O11 O 0.0772(6) 0.9161(3) 0.500000 0.124(4) Uani 1 2 d S T P . . 
N1 N 0.2596(5) 0.500000 0.2174(3) 0.070(3) Uani 1 2 d S T P . . 
C1 C 0.1076(4) 0.7128(3) 0.4049(2) 0.071(2) Uani 1 1 d . . . . . 
C2 C 0.1306(5) 0.6827(2) 0.3750(2) 0.071(2) Uani 1 1 d . . . . . 
C3 C 0.1264(6) 0.6904(3) 0.3360(3) 0.094(3) Uani 1 1 d . . . . . 
H3 H 0.109722 0.715419 0.327529 0.113 Uiso 1 1 calc R U . . . 
C4 C 0.1464(6) 0.6618(3) 0.3087(2) 0.094(3) Uani 1 1 d . . . . . 
H4 H 0.141540 0.667365 0.282097 0.113 Uiso 1 1 calc R U . . . 
C5 C 0.1740(5) 0.6243(2) 0.3206(2) 0.081(3) Uani 1 1 d . . . . . 
C6 C 0.1783(5) 0.6185(2) 0.3600(2) 0.091(3) Uani 1 1 d . . . . . 
H6 H 0.196109 0.593873 0.368906 0.110 Uiso 1 1 calc R U . . . 
C7 C 0.1581(5) 0.6466(2) 0.3877(2) 0.076(3) Uani 1 1 d . . . . . 
H7 H 0.162987 0.641224 0.414322 0.091 Uiso 1 1 calc R U . . . 
C8 C 0.1961(5) 0.5924(2) 0.2923(2) 0.077(3) Uani 1 1 d . . . . . 
C9 C 0.2284(5) 0.6041(2) 0.2577(2) 0.080(3) Uani 1 1 d . . . . . 
H9 H 0.236126 0.631900 0.253432 0.096 Uiso 1 1 calc R U . . . 
C10 C 0.2490(5) 0.5763(2) 0.2299(2) 0.073(2) Uani 1 1 d . . . . . 
C11 C 0.2399(5) 0.5346(2) 0.2383(2) 0.071(2) Uani 1 1 d . . . . . 
C12 C 0.2069(5) 0.5227(2) 0.2720(2) 0.074(3) Uani 1 1 d . . . . . 
C13 C 0.1851(5) 0.5507(2) 0.2998(2) 0.076(3) Uani 1 1 d . . . . . 
C14 C 0.2866(5) 0.5916(2) 0.19473(19) 0.068(2) Uani 1 1 d . . . . . 
C15 C 0.2747(5) 0.5774(3) 0.1576(2) 0.082(3) Uani 1 1 d . . . . . 
H15 H 0.245143 0.556280 0.153564 0.098 Uiso 1 1 calc R U . . . 
C16 C 0.3077(5) 0.5951(3) 0.1256(2) 0.081(3) Uani 1 1 d . . . . . 
H16 H 0.298132 0.586063 0.100313 0.097 Uiso 1 1 calc R U . . . 
C17 C 0.3523(4) 0.6244(2) 0.13046(19) 0.0610(19) Uani 1 1 d . . . . . 
C18 C 0.3644(5) 0.6375(3) 0.1679(2) 0.080(3) Uani 1 1 d . . . . . 
H18 H 0.395474 0.657731 0.171877 0.096 Uiso 1 1 calc R U . . . 
C19 C 0.3323(5) 0.6218(3) 0.1994(2) 0.082(3) Uani 1 1 d . . . . . 
H19 H 0.341508 0.631729 0.224451 0.098 Uiso 1 1 calc R U . . . 
C20 C 0.3885(4) 0.6429(2) 0.0967(2) 0.065(2) Uani 1 1 d . . . . . 
C21 C 0.2229(8) 0.7904(8) 0.500000 0.122(7) Uani 1 2 d S T P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Yb1 O3 2.218(5) 13_565 ? 
Yb1 O3 2.218(5) 8_465 ? 
Yb1 O5 2.265(4) 12 ? 
Yb1 O5 2.265(4) . ? 
Yb1 O1 2.308(5) . ? 
Yb1 O1 2.308(5) 12 ? 
Yb1 O7 2.315(5) . ? 
Yb1 O6 2.410(6) . ? 
Yb1 Yb3 3.7802(6) . ? 
Yb1 Yb3 3.7802(6) 3_556 ? 
Yb1 Yb2 3.8562(6) . ? 
Yb1 Yb2 3.8562(6) 3_556 ? 
Yb2 O11 2.234(9) . ? 
Yb2 O9 2.269(9) . ? 
Yb2 O6 2.269(3) 10_556 ? 
Yb2 O6 2.269(3) . ? 
Yb2 O5 2.288(4) . ? 
Yb2 O5 2.288(4) 10_556 ? 
Yb2 O4 2.324(4) 6_565 ? 
Yb2 O4 2.324(4) 13_565 ? 
Yb2 Yb3 3.8097(8) . ? 
Yb2 Yb2 3.8433(13) 3_556 ? 
Yb3 O5 2.251(4) 10_556 ? 
Yb3 O5 2.251(4) . ? 
Yb3 O8 2.262(10) . ? 
Yb3 O2 2.266(5) . ? 
Yb3 O2 2.266(5) 10_556 ? 
Yb3 O7 2.282(3) . ? 
Yb3 O7 2.282(3) 10_556 ? 
Yb3 O10 2.334(8) . ? 
Yb3 Yb3 3.8375(13) 3_556 ? 
O1 C1 1.258(9) . ? 
O2 C1 1.258(9) . ? 
O3 C20 1.252(9) . ? 
O4 C20 1.262(9) . ? 
O8 C21 1.36(2) . ? 
O9 C21 1.24(2) . ? 
N1 C11 1.393(8) 11_565 ? 
N1 C11 1.393(8) . ? 
C1 C2 1.489(10) . ? 
C2 C3 1.352(11) . ? 
C2 C7 1.375(11) . ? 
C3 C4 1.379(11) . ? 
C3 H3 0.9300 . ? 
C4 C5 1.404(11) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.360(11) . ? 
C5 C8 1.486(10) . ? 
C6 C7 1.377(10) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 C13 1.397(10) . ? 
C8 C9 1.407(10) . ? 
C9 C10 1.376(10) . ? 
C9 H9 0.9300 . ? 
C10 C11 1.397(10) . ? 
C10 C14 1.512(10) . ? 
C11 C12 1.391(10) . ? 
C12 C13 1.389(10) . ? 
C12 C12 1.474(14) 11_565 ? 
C14 C15 1.368(10) . ? 
C14 C19 1.373(11) . ? 
C15 C16 1.409(10) . ? 
C15 H15 0.9300 . ? 
C16 C17 1.337(11) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.366(10) . ? 
C17 C20 1.497(9) . ? 
C18 C19 1.363(11) . ? 
C18 H18 0.9300 . ? 
C19 H19 0.9300 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O3 Yb1 O3 80.1(3) 13_565 8_465 ? 
O3 Yb1 O5 137.64(17) 13_565 12 ? 
O3 Yb1 O5 76.35(17) 8_465 12 ? 
O3 Yb1 O5 76.35(17) 13_565 . ? 
O3 Yb1 O5 137.64(17) 8_465 . ? 
O5 Yb1 O5 98.5(2) 12 . ? 
O3 Yb1 O1 80.9(2) 13_565 . ? 
O3 Yb1 O1 131.30(18) 8_465 . ? 
O5 Yb1 O1 140.23(17) 12 . ? 
O5 Yb1 O1 78.72(17) . . ? 
O3 Yb1 O1 131.29(18) 13_565 12 ? 
O3 Yb1 O1 80.9(2) 8_465 12 ? 
O5 Yb1 O1 78.72(17) 12 12 ? 
O5 Yb1 O1 140.23(17) . 12 ? 
O1 Yb1 O1 79.0(3) . 12 ? 
O3 Yb1 O7 139.48(14) 13_565 . ? 
O3 Yb1 O7 139.48(14) 8_465 . ? 
O5 Yb1 O7 66.87(12) 12 . ? 
O5 Yb1 O7 66.87(12) . . ? 
O1 Yb1 O7 75.97(16) . . ? 
O1 Yb1 O7 75.97(16) 12 . ? 
O3 Yb1 O6 75.18(17) 13_565 . ? 
O3 Yb1 O6 75.18(17) 8_465 . ? 
O5 Yb1 O6 65.05(12) 12 . ? 
O5 Yb1 O6 65.05(12) . . ? 
O1 Yb1 O6 140.15(15) . . ? 
O1 Yb1 O6 140.15(15) 12 . ? 
O7 Yb1 O6 102.75(19) . . ? 
O3 Yb1 Yb3 106.15(14) 13_565 . ? 
O3 Yb1 Yb3 158.63(13) 8_465 . ? 
O5 Yb1 Yb3 86.04(10) 12 . ? 
O5 Yb1 Yb3 33.06(9) . . ? 
O1 Yb1 Yb3 70.06(12) . . ? 
O1 Yb1 Yb3 107.76(13) 12 . ? 
O7 Yb1 Yb3 34.41(6) . . ? 
O6 Yb1 Yb3 86.54(12) . . ? 
O3 Yb1 Yb3 158.63(13) 13_565 3_556 ? 
O3 Yb1 Yb3 106.15(14) 8_465 3_556 ? 
O5 Yb1 Yb3 33.05(9) 12 3_556 ? 
O5 Yb1 Yb3 86.04(10) . 3_556 ? 
O1 Yb1 Yb3 107.75(13) . 3_556 ? 
O1 Yb1 Yb3 70.06(12) 12 3_556 ? 
O7 Yb1 Yb3 34.41(6) . 3_556 ? 
O6 Yb1 Yb3 86.54(12) . 3_556 ? 
Yb3 Yb1 Yb3 61.006(19) . 3_556 ? 
O3 Yb1 Yb2 68.45(13) 13_565 . ? 
O3 Yb1 Yb2 105.90(14) 8_465 . ? 
O5 Yb1 Yb2 84.83(10) 12 . ? 
O5 Yb1 Yb2 32.30(10) . . ? 
O1 Yb1 Yb2 107.88(14) . . ? 
O1 Yb1 Yb2 160.26(12) 12 . ? 
O7 Yb1 Yb2 87.62(12) . . ? 
O6 Yb1 Yb2 33.33(6) . . ? 
Yb3 Yb1 Yb2 59.844(12) . . ? 
Yb3 Yb1 Yb2 90.203(13) 3_556 . ? 
O3 Yb1 Yb2 105.89(14) 13_565 3_556 ? 
O3 Yb1 Yb2 68.45(13) 8_465 3_556 ? 
O5 Yb1 Yb2 32.30(10) 12 3_556 ? 
O5 Yb1 Yb2 84.83(10) . 3_556 ? 
O1 Yb1 Yb2 160.26(12) . 3_556 ? 
O1 Yb1 Yb2 107.88(14) 12 3_556 ? 
O7 Yb1 Yb2 87.63(12) . 3_556 ? 
O6 Yb1 Yb2 33.33(6) . 3_556 ? 
Yb3 Yb1 Yb2 90.203(13) . 3_556 ? 
Yb3 Yb1 Yb2 59.847(12) 3_556 3_556 ? 
Yb2 Yb1 Yb2 59.778(19) . 3_556 ? 
O11 Yb2 O9 118.1(4) . . ? 
O11 Yb2 O6 85.1(3) . 10_556 ? 
O9 Yb2 O6 141.63(19) . 10_556 ? 
O11 Yb2 O6 85.1(3) . . ? 
O9 Yb2 O6 141.63(19) . . ? 
O6 Yb2 O6 64.1(2) 10_556 . ? 
O11 Yb2 O5 145.10(16) . . ? 
O9 Yb2 O5 78.4(2) . . ? 
O6 Yb2 O5 100.03(19) 10_556 . ? 
O6 Yb2 O5 67.06(19) . . ? 
O11 Yb2 O5 145.11(16) . 10_556 ? 
O9 Yb2 O5 78.4(2) . 10_556 ? 
O6 Yb2 O5 67.06(19) 10_556 10_556 ? 
O6 Yb2 O5 100.03(19) . 10_556 ? 
O5 Yb2 O5 64.24(18) . 10_556 ? 
O11 Yb2 O4 76.86(19) . 6_565 ? 
O9 Yb2 O4 79.01(18) . 6_565 ? 
O6 Yb2 O4 77.36(19) 10_556 6_565 ? 
O6 Yb2 O4 138.6(2) . 6_565 ? 
O5 Yb2 O4 138.03(17) . 6_565 ? 
O5 Yb2 O4 76.83(17) 10_556 6_565 ? 
O11 Yb2 O4 76.86(19) . 13_565 ? 
O9 Yb2 O4 79.01(18) . 13_565 ? 
O6 Yb2 O4 138.6(2) 10_556 13_565 ? 
O6 Yb2 O4 77.36(19) . 13_565 ? 
O5 Yb2 O4 76.83(17) . 13_565 ? 
O5 Yb2 O4 138.02(17) 10_556 13_565 ? 
O4 Yb2 O4 131.9(3) 6_565 13_565 ? 
O11 Yb2 Yb3 171.6(3) . . ? 
O9 Yb2 Yb3 70.2(2) . . ? 
O6 Yb2 Yb3 87.80(16) 10_556 . ? 
O6 Yb2 Yb3 87.80(16) . . ? 
O5 Yb2 Yb3 32.63(9) . . ? 
O5 Yb2 Yb3 32.62(9) 10_556 . ? 
O4 Yb2 Yb3 105.92(14) 6_565 . ? 
O4 Yb2 Yb3 105.92(14) 13_565 . ? 
O11 Yb2 Yb2 81.7(3) . 3_556 ? 
O9 Yb2 Yb2 160.2(2) . 3_556 ? 
O6 Yb2 Yb2 32.12(12) 10_556 3_556 ? 
O6 Yb2 Yb2 32.12(12) . 3_556 ? 
O5 Yb2 Yb2 84.85(11) . 3_556 ? 
O5 Yb2 Yb2 84.85(11) 10_556 3_556 ? 
O4 Yb2 Yb2 107.54(15) 6_565 3_556 ? 
O4 Yb2 Yb2 107.54(15) 13_565 3_556 ? 
Yb3 Yb2 Yb2 89.958(14) . 3_556 ? 
O11 Yb2 Yb1 115.8(2) . . ? 
O9 Yb2 Yb1 107.16(17) . . ? 
O6 Yb2 Yb1 85.94(13) 10_556 . ? 
O6 Yb2 Yb1 35.71(15) . . ? 
O5 Yb2 Yb1 31.95(10) . . ? 
O5 Yb2 Yb1 83.94(10) 10_556 . ? 
O4 Yb2 Yb1 158.27(14) 6_565 . ? 
O4 Yb2 Yb1 69.68(14) 13_565 . ? 
Yb3 Yb2 Yb1 59.088(12) . . ? 
Yb2 Yb2 Yb1 60.111(9) 3_556 . ? 
O11 Yb2 Yb1 115.8(2) . 10_556 ? 
O9 Yb2 Yb1 107.15(17) . 10_556 ? 
O6 Yb2 Yb1 35.71(15) 10_556 10_556 ? 
O6 Yb2 Yb1 85.94(13) . 10_556 ? 
O5 Yb2 Yb1 83.94(10) . 10_556 ? 
O5 Yb2 Yb1 31.95(10) 10_556 10_556 ? 
O4 Yb2 Yb1 69.68(14) 6_565 10_556 ? 
O4 Yb2 Yb1 158.27(14) 13_565 10_556 ? 
Yb3 Yb2 Yb1 59.087(12) . 10_556 ? 
Yb2 Yb2 Yb1 60.112(9) 3_556 10_556 ? 
Yb1 Yb2 Yb1 88.640(17) . 10_556 ? 
O5 Yb3 O5 65.43(18) 10_556 . ? 
O5 Yb3 O8 80.4(3) 10_556 . ? 
O5 Yb3 O8 80.4(3) . . ? 
O5 Yb3 O2 141.89(17) 10_556 . ? 
O5 Yb3 O2 79.25(17) . . ? 
O8 Yb3 O2 80.0(2) . . ? 
O5 Yb3 O2 79.26(17) 10_556 10_556 ? 
O5 Yb3 O2 141.89(17) . 10_556 ? 
O8 Yb3 O2 80.0(2) . 10_556 ? 
O2 Yb3 O2 128.4(3) . 10_556 ? 
O5 Yb3 O7 101.84(18) 10_556 . ? 
O5 Yb3 O7 67.67(17) . . ? 
O8 Yb3 O7 142.88(17) . . ? 
O2 Yb3 O7 75.9(2) . . ? 
O2 Yb3 O7 137.1(2) 10_556 . ? 
O5 Yb3 O7 67.67(17) 10_556 10_556 ? 
O5 Yb3 O7 101.85(18) . 10_556 ? 
O8 Yb3 O7 142.88(17) . 10_556 ? 
O2 Yb3 O7 137.1(2) . 10_556 ? 
O2 Yb3 O7 75.9(2) 10_556 10_556 ? 
O7 Yb3 O7 65.6(2) . 10_556 ? 
O5 Yb3 O10 142.90(16) 10_556 . ? 
O5 Yb3 O10 142.90(16) . . ? 
O8 Yb3 O10 120.0(4) . . ? 
O2 Yb3 O10 74.99(19) . . ? 
O2 Yb3 O10 74.99(19) 10_556 . ? 
O7 Yb3 O10 80.4(3) . . ? 
O7 Yb3 O10 80.4(3) 10_556 . ? 
O5 Yb3 Yb1 86.24(10) 10_556 . ? 
O5 Yb3 Yb1 33.30(10) . . ? 
O8 Yb3 Yb1 109.77(18) . . ? 
O2 Yb3 Yb1 70.24(14) . . ? 
O2 Yb3 Yb1 161.00(14) 10_556 . ? 
O7 Yb3 Yb1 34.98(13) . . ? 
O7 Yb3 Yb1 87.27(12) 10_556 . ? 
O10 Yb3 Yb1 111.32(19) . . ? 
O5 Yb3 Yb1 33.30(10) 10_556 10_556 ? 
O5 Yb3 Yb1 86.25(10) . 10_556 ? 
O8 Yb3 Yb1 109.77(18) . 10_556 ? 
O2 Yb3 Yb1 161.00(14) . 10_556 ? 
O2 Yb3 Yb1 70.24(14) 10_556 10_556 ? 
O7 Yb3 Yb1 87.27(12) . 10_556 ? 
O7 Yb3 Yb1 34.98(13) 10_556 10_556 ? 
O10 Yb3 Yb1 111.31(19) . 10_556 ? 
Yb1 Yb3 Yb1 90.914(18) . 10_556 ? 
O5 Yb3 Yb2 33.23(9) 10_556 . ? 
O5 Yb3 Yb2 33.23(9) . . ? 
O8 Yb3 Yb2 72.4(3) . . ? 
O2 Yb3 Yb2 109.14(14) . . ? 
O2 Yb3 Yb2 109.14(14) 10_556 . ? 
O7 Yb3 Yb2 89.23(14) . . ? 
O7 Yb3 Yb2 89.23(14) 10_556 . ? 
O10 Yb3 Yb2 167.6(3) . . ? 
Yb1 Yb3 Yb2 61.069(12) . . ? 
Yb1 Yb3 Yb2 61.070(12) 10_556 . ? 
O5 Yb3 Yb3 84.84(11) 10_556 3_556 ? 
O5 Yb3 Yb3 84.84(11) . 3_556 ? 
O8 Yb3 Yb3 162.5(3) . 3_556 ? 
O2 Yb3 Yb3 106.58(17) . 3_556 ? 
O2 Yb3 Yb3 106.58(17) 10_556 3_556 ? 
O7 Yb3 Yb3 32.79(11) . 3_556 ? 
O7 Yb3 Yb3 32.79(11) 10_556 3_556 ? 
O10 Yb3 Yb3 77.6(3) . 3_556 ? 
Yb1 Yb3 Yb3 59.497(10) . 3_556 ? 
Yb1 Yb3 Yb3 59.497(10) 10_556 3_556 ? 
Yb2 Yb3 Yb3 90.044(14) . 3_556 ? 
C1 O1 Yb1 136.0(5) . . ? 
C1 O2 Yb3 137.8(6) . . ? 
C20 O3 Yb1 141.7(5) . 13_565 ? 
C20 O4 Yb2 134.3(5) . 13_565 ? 
Yb3 O5 Yb1 113.65(16) . . ? 
Yb3 O5 Yb2 114.15(15) . . ? 
Yb1 O5 Yb2 115.75(18) . . ? 
Yb2 O6 Yb2 115.8(2) 3_556 . ? 
Yb2 O6 Yb1 110.96(18) 3_556 . ? 
Yb2 O6 Yb1 110.96(18) . . ? 
Yb3 O7 Yb3 114.4(2) 3_556 . ? 
Yb3 O7 Yb1 110.61(16) 3_556 . ? 
Yb3 O7 Yb1 110.61(16) . . ? 
C21 O8 Yb3 130.6(10) . . ? 
C21 O9 Yb2 136.4(12) . . ? 
C11 N1 C11 107.8(8) 11_565 . ? 
O2 C1 O1 124.6(7) . . ? 
O2 C1 C2 118.9(8) . . ? 
O1 C1 C2 116.4(7) . . ? 
C3 C2 C7 119.5(7) . . ? 
C3 C2 C1 122.0(8) . . ? 
C7 C2 C1 118.6(7) . . ? 
C2 C3 C4 121.3(9) . . ? 
C2 C3 H3 119.4 . . ? 
C4 C3 H3 119.4 . . ? 
C3 C4 C5 120.8(8) . . ? 
C3 C4 H4 119.6 . . ? 
C5 C4 H4 119.6 . . ? 
C6 C5 C4 115.6(7) . . ? 
C6 C5 C8 121.5(7) . . ? 
C4 C5 C8 122.9(7) . . ? 
C5 C6 C7 124.3(8) . . ? 
C5 C6 H6 117.9 . . ? 
C7 C6 H6 117.9 . . ? 
C2 C7 C6 118.5(7) . . ? 
C2 C7 H7 120.7 . . ? 
C6 C7 H7 120.7 . . ? 
C13 C8 C9 119.4(7) . . ? 
C13 C8 C5 120.6(7) . . ? 
C9 C8 C5 120.0(7) . . ? 
C10 C9 C8 123.2(7) . . ? 
C10 C9 H9 118.4 . . ? 
C8 C9 H9 118.4 . . ? 
C9 C10 C11 116.9(7) . . ? 
C9 C10 C14 119.4(7) . . ? 
C11 C10 C14 123.3(7) . . ? 
N1 C11 C12 109.9(7) . . ? 
N1 C11 C10 129.7(7) . . ? 
C12 C11 C10 120.4(7) . . ? 
C13 C12 C11 122.7(7) . . ? 
C13 C12 C12 130.9(4) . 11_565 ? 
C11 C12 C12 106.2(4) . 11_565 ? 
C12 C13 C8 117.3(7) . . ? 
C15 C14 C19 118.2(7) . . ? 
C15 C14 C10 122.0(8) . . ? 
C19 C14 C10 119.7(7) . . ? 
C14 C15 C16 119.5(8) . . ? 
C14 C15 H15 120.2 . . ? 
C16 C15 H15 120.2 . . ? 
C17 C16 C15 121.8(7) . . ? 
C17 C16 H16 119.1 . . ? 
C15 C16 H16 119.1 . . ? 
C16 C17 C18 117.7(7) . . ? 
C16 C17 C20 122.3(7) . . ? 
C18 C17 C20 120.0(7) . . ? 
C19 C18 C17 122.1(8) . . ? 
C19 C18 H18 118.9 . . ? 
C17 C18 H18 118.9 . . ? 
C18 C19 C14 120.6(7) . . ? 
C18 C19 H19 119.7 . . ? 
C14 C19 H19 119.7 . . ? 
O3 C20 O4 125.8(7) . . ? 
O3 C20 C17 115.6(7) . . ? 
O4 C20 C17 118.6(7) . . ? 
O9 C21 O8 130.3(16) . . ? 
  
_refine_diff_density_max    1.632 
_refine_diff_density_min   -1.243 
_refine_diff_density_rms    0.126 
  
  
  
  

 
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C72 H36 Eu6 N0 O36' 
_chemical_formula_weight          2388.77 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Eu'  'Eu'  -8.9294  11.1857 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       orthorhombic 
_space_group_IT_number            63 
_space_group_name_H-M_alt         'C m c m' 
_space_group_name_Hall            '-C 2c 2' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, z+1/2' 
 '-x, y, -z+1/2' 
 'x, -y, -z' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, -y+1/2, z+1/2' 
 '-x+1/2, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, -y, -z' 
 'x, y, -z-1/2' 
 'x, -y, z-1/2' 
 '-x, y, z' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, y+1/2, -z-1/2' 
 'x+1/2, -y+1/2, z-1/2' 
 '-x+1/2, y+1/2, z' 
  
_cell_length_a                    33.2301(16) 
_cell_length_b                    16.6318(8) 
_cell_length_c                    25.9567(12) 
_cell_angle_alpha                 90 
_cell_angle_beta                  90 
_cell_angle_gamma                 90 
_cell_volume                      14345.7(12) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     110(2) 
_cell_measurement_reflns_used     30746 
_cell_measurement_theta_min       2.971 
_cell_measurement_theta_max       50.683 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     1.106 
_exptl_crystal_F_000              4536 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_absorpt_coefficient_mu     18.889 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       110(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    ? 
_diffrn_measurement_device_type   'CCD area detector' 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             30361 
_diffrn_reflns_av_unetI/netI      0.0544 
_diffrn_reflns_av_R_equivalents   0.1078 
_diffrn_reflns_limit_h_min        -33 
_diffrn_reflns_limit_h_max        33 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        16 
_diffrn_reflns_limit_l_min        -24 
_diffrn_reflns_limit_l_max        25 
_diffrn_reflns_theta_min          2.971 
_diffrn_reflns_theta_max          50.683 
_diffrn_reflns_theta_full         50.683 
_diffrn_measured_fraction_theta_max   0.980 
_diffrn_measured_fraction_theta_full  0.980 
_diffrn_reflns_Laue_measured_fraction_max    0.980 
_diffrn_reflns_Laue_measured_fraction_full   0.980 
_diffrn_reflns_point_group_measured_fraction_max   0.980 
_diffrn_reflns_point_group_measured_fraction_full  0.980 
_reflns_number_total              3915 
_reflns_number_gt                 2637 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     ? 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
_refine_special_details           ? 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.1202P)²+347.6242P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          3915 
_refine_ls_number_parameters      385 
_refine_ls_number_restraints      629 
_refine_ls_R_factor_all           0.1143 
_refine_ls_R_factor_gt            0.0769 
_refine_ls_wR_factor_ref          0.2313 
_refine_ls_wR_factor_gt           0.1999 
_refine_ls_goodness_of_fit_ref    0.994 
_refine_ls_restrained_S_all       0.945 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
C1 C 0.5664(5) 0.4307(12) 0.6527(5) 0.077(4) Uani 1 1 d D U . . . 
C2 C 0.5806(4) 0.3999(10) 0.7034(5) 0.061(4) Uani 1 1 d D U . . . 
C3 C 0.6051(5) 0.3316(10) 0.7040(6) 0.069(4) Uani 1 1 d . U . . . 
H3 H 0.611978 0.306172 0.672478 0.083 Uiso 1 1 calc R U . . . 
C4 C 0.6195(6) 0.3006(12) 0.750000 0.065(5) Uani 1 2 d DS TU P . . 
C5 C 0.5687(6) 0.4286(14) 0.750000 0.061(5) Uani 1 2 d S TU P . . 
H5 H 0.550590 0.472691 0.750001 0.073 Uiso 1 2 calc R U P . . 
C6 C 0.6454(5) 0.2263(11) 0.750000 0.071(5) Uani 1 2 d DS TU P . . 
C7 C 0.6346(7) 0.1596(13) 0.7790(8) 0.098(9) Uani 0.5 1 d D U P . . 
H7 H 0.610781 0.160891 0.799220 0.118 Uiso 0.5 1 calc R U P . . 
C8 C 0.6585(8) 0.0904(13) 0.7785(11) 0.118(9) Uani 0.5 1 d D U P . . 
C9 C 0.6942(7) 0.0900(13) 0.750000 0.104(7) Uani 1 2 d DS TU P . . 
H9 H 0.711723 0.044950 0.751868 0.125 Uiso 1 2 calc R U P . . 
C10 C 0.7042(8) 0.1555(15) 0.7187(13) 0.131(10) Uani 0.5 1 d D U P . . 
C11 C 0.6795(7) 0.2239(14) 0.7187(11) 0.097(9) Uani 0.5 1 d D U P . . 
H11 H 0.686049 0.268518 0.697356 0.116 Uiso 0.5 1 calc R U P . . 
C21 C 0.7443(8) 0.1610(19) 0.6923(13) 0.177(12) Uani 0.5 1 d D U P . . 
C22 C 0.7427(8) 0.200(2) 0.6442(14) 0.188(14) Uani 0.5 1 d D U P . . 
H22 H 0.717620 0.219198 0.631370 0.225 Uiso 0.5 1 calc R U P . . 
C23 C 0.7781(8) 0.212(2) 0.6148(13) 0.200(14) Uani 0.5 1 d D U P . . 
H23 H 0.776754 0.236759 0.581973 0.240 Uiso 0.5 1 calc R U P . . 
C24 C 0.8155(7) 0.186(3) 0.6344(13) 0.206(13) Uani 0.5 1 d D U P . . 
C25 C 0.8174(7) 0.146(3) 0.6824(13) 0.207(13) Uani 0.5 1 d D U P . . 
C26 C 0.7818(9) 0.133(3) 0.7115(13) 0.199(14) Uani 0.5 1 d D U P . . 
H26 H 0.783085 0.106796 0.743883 0.239 Uiso 0.5 1 calc R U P . . 
C31 C 0.8877(9) 0.166(3) 0.6232(12) 0.181(13) Uani 0.5 1 d D U P . . 
C32 C 0.8507(7) 0.196(3) 0.6046(12) 0.198(14) Uani 0.5 1 d D U P . . 
H32 H 0.849491 0.222677 0.572365 0.237 Uiso 0.5 1 calc R U P . . 
C33 C 0.8542(9) 0.113(3) 0.7000(13) 0.213(15) Uani 0.5 1 d D U P . . 
H33 H 0.854950 0.081309 0.730322 0.256 Uiso 0.5 1 calc R U P . . 
C34 C 0.8899(10) 0.129(3) 0.6721(11) 0.194(14) Uani 0.5 1 d D U P . . 
H34 H 0.915304 0.114594 0.686207 0.233 Uiso 0.5 1 calc R U P . . 
C35 C 0.9249(9) 0.179(3) 0.5925(9) 0.123(11) Uani 0.5 1 d D U P . . 
C51 C 0.6491(13) 0.021(2) 0.8137(14) 0.168(12) Uani 0.5 1 d D U P . . 
C52 C 0.6718(13) -0.004(2) 0.8553(16) 0.206(15) Uani 0.5 1 d D U P . . 
H52 H 0.696263 0.022409 0.863322 0.247 Uiso 0.5 1 calc R U P . . 
C53 C 0.6595(13) -0.068(2) 0.8850(15) 0.209(15) Uani 0.5 1 d D U P . . 
H53 H 0.673794 -0.081130 0.915534 0.251 Uiso 0.5 1 calc R U P . . 
C54 C 0.6166(13) -0.024(2) 0.7987(14) 0.200(15) Uani 0.5 1 d D U P . . 
H54 H 0.601025 -0.008912 0.769664 0.239 Uiso 0.5 1 calc R U P . . 
C61 C 0.5820(7) -0.2237(15) 0.8810(8) 0.155(12) Uani 0.5 1 d D U P . . 
C62 C 0.6135(8) -0.1788(15) 0.8977(9) 0.167(13) Uani 0.5 1 d D U P . . 
H62 H 0.627011 -0.193449 0.928553 0.200 Uiso 0.5 1 calc R U P . . 
C63 C 0.6262(8) -0.1125(13) 0.8707(9) 0.193(13) Uani 0.5 1 d D U P . . 
C64 C 0.6069(12) -0.093(2) 0.8257(13) 0.205(14) Uani 0.5 1 d D U P . . 
C65 C 0.5721(12) -0.131(2) 0.8127(15) 0.215(15) Uani 0.5 1 d D U P . . 
H65 H 0.555067 -0.109085 0.786849 0.257 Uiso 0.5 1 calc R U P . . 
C66 C 0.5617(12) -0.201(2) 0.8369(13) 0.195(15) Uani 0.5 1 d D U P . . 
H66 H 0.540636 -0.233328 0.823589 0.234 Uiso 0.5 1 calc R U P . . 
C67 C 0.5673(11) -0.296(2) 0.9094(8) 0.119(9) Uani 0.5 1 d D U P . . 
O1 O 0.5540(2) 0.5261(6) 0.5453(3) 0.053(2) Uani 1 1 d . U . . . 
O2 O 0.500000 0.4226(8) 0.5702(4) 0.056(3) Uani 1 2 d S TU P . . 
O3 O 0.5430(3) 0.4943(7) 0.6554(3) 0.073(3) Uani 1 1 d . U . . . 
O4 O 0.5762(4) 0.3974(8) 0.6132(4) 0.095(3) Uani 1 1 d . U . . . 
O5 O 0.500000 0.6321(8) 0.5218(4) 0.055(3) Uani 1 2 d S TU P . . 
O6 O 0.5438(4) -0.3413(8) 0.8819(4) 0.096(4) Uani 1 1 d D U . . . 
O7 O 0.5790(4) -0.3089(8) 0.9560(5) 0.109(4) Uani 1 1 d D U . . . 
O8 O 0.6270(4) 0.4411(11) 0.5150(4) 0.143(5) Uani 1 1 d . U . . . 
O9 O 0.6119(7) 0.2800(14) 0.5508(8) 0.219(7) Uani 1 1 d . U . . . 
O10 O 0.5346(6) 0.2602(8) 0.5567(5) 0.145(5) Uani 1 1 d . U . . . 
Eu1 Eu 0.500000 0.55554(9) 0.59765(4) 0.0645(5) Uani 1 2 d S TU P . . 
Eu2 Eu 0.55943(3) 0.38765(7) 0.52653(4) 0.0820(5) Uani 1 1 d . U . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
C1 O4 1.209(18) . ? 
C1 O3 1.315(19) . ? 
C1 C2 1.488(16) . ? 
C2 C5 1.358(17) . ? 
C2 C3 1.40(2) . ? 
C3 C4 1.386(18) . ? 
C3 H3 0.9500 . ? 
C4 C6 1.507(18) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.387(15) 10_557 ? 
C6 C7 1.387(15) . ? 
C6 C11 1.397(15) 10_557 ? 
C6 C11 1.397(15) . ? 
C7 C8 1.398(16) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.398(16) . ? 
C8 C8 1.48(6) 10_557 ? 
C8 C51 1.503(15) . ? 
C8 C10 1.87(4) 10_557 ? 
C9 C10 1.399(16) . ? 
C9 H9 0.9500 . ? 
C10 C11 1.402(16) . ? 
C10 C21 1.503(15) . ? 
C10 C10 1.62(7) 10_557 ? 
C11 H11 0.9500 . ? 
C21 C22 1.411(16) . ? 
C21 C26 1.418(16) . ? 
C22 C23 1.416(17) . ? 
C22 H22 0.9500 . ? 
C23 C24 1.410(16) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.412(15) . ? 
C24 C32 1.414(16) . ? 
C25 C33 1.414(16) . ? 
C25 C26 1.418(16) . ? 
C26 H26 0.9500 . ? 
C31 C34 1.411(16) . ? 
C31 C32 1.413(17) . ? 
C31 C35 1.486(15) . ? 
C31 C67 1.84(6) 7_656 ? 
C32 H32 0.9500 . ? 
C33 C34 1.415(17) . ? 
C33 H33 0.9500 . ? 
C34 H34 0.9500 . ? 
C35 C67 0.50(6) 7_656 ? 
C35 O6 1.279(19) 7_656 ? 
C35 O7 1.283(19) 7_656 ? 
C35 C61 1.78(6) 7_656 ? 
C35 Eu1 3.23(3) 5_545 ? 
C51 C54 1.376(16) . ? 
C51 C52 1.385(13) . ? 
C52 C53 1.370(16) . ? 
C52 H52 0.9500 . ? 
C53 C63 1.383(15) . ? 
C53 H53 0.9500 . ? 
C54 C64 1.372(16) . ? 
C54 H54 0.9500 . ? 
C61 C62 1.358(16) . ? 
C61 C66 1.382(15) . ? 
C61 C67 1.487(15) . ? 
C62 C63 1.371(15) . ? 
C62 H62 0.9500 . ? 
C63 C64 1.374(14) . ? 
C64 C65 1.362(16) . ? 
C65 C66 1.365(16) . ? 
C65 H65 0.9500 . ? 
C66 H66 0.9500 . ? 
C67 O7 1.289(18) . ? 
C67 O6 1.304(18) . ? 
O1 Eu1 2.304(8) . ? 
O1 Eu2 2.361(10) . ? 
O1 Eu2 2.359(9) 4_566 ? 
O2 Eu1 2.323(13) . ? 
O2 Eu2 2.350(6) . ? 
O2 Eu2 2.350(6) 12_655 ? 
O3 Eu1 2.307(10) . ? 
O4 Eu2 2.324(10) . ? 
O5 Eu1 2.345(12) . ? 
O5 Eu2 2.362(6) 9_666 ? 
O5 Eu2 2.363(6) 4_566 ? 
O6 Eu1 2.311(13) 10_547 ? 
O7 Eu2 2.344(12) 11_556 ? 
O8 Eu2 2.434(14) . ? 
O9 Eu2 2.578(17) . ? 
O10 Eu2 2.406(15) . ? 
Eu1 Eu2 3.8866(16) . ? 
Eu1 Eu2 3.8867(16) 12_655 ? 
Eu2 Eu2 3.950(2) 12_655 ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O4 C1 O3 124.9(13) . . ? 
O4 C1 C2 120.5(16) . . ? 
O3 C1 C2 114.6(13) . . ? 
C5 C2 C3 116.3(14) . . ? 
C5 C2 C1 125.1(15) . . ? 
C3 C2 C1 118.3(14) . . ? 
C2 C3 C4 120.9(14) . . ? 
C2 C3 H3 119.5 . . ? 
C4 C3 H3 119.5 . . ? 
C3 C4 C3 118.9(19) 10_557 . ? 
C3 C4 C6 120.2(10) 10_557 . ? 
C3 C4 C6 120.2(10) . . ? 
C2 C5 C2 126(2) 10_557 . ? 
C2 C5 H5 117.0 10_557 . ? 
C2 C5 H5 117.0 . . ? 
C7 C6 C7 66(2) 10_557 . ? 
C7 C6 C11 120.2(10) 10_557 10_557 ? 
C7 C6 C11 82.7(17) . 10_557 ? 
C7 C6 C11 82.7(17) 10_557 . ? 
C7 C6 C11 120.2(10) . . ? 
C11 C6 C11 71(3) 10_557 . ? 
C7 C6 C4 120.5(13) 10_557 . ? 
C7 C6 C4 120.5(13) . . ? 
C11 C6 C4 119.2(13) 10_557 . ? 
C11 C6 C4 119.2(13) . . ? 
C6 C7 C8 120.4(10) . . ? 
C6 C7 H7 119.8 . . ? 
C8 C7 H7 119.8 . . ? 
C7 C8 C9 119.4(10) . . ? 
C7 C8 C8 90.5(8) . 10_557 ? 
C9 C8 C8 58.0(13) . 10_557 ? 
C7 C8 C51 120(2) . . ? 
C9 C8 C51 120(2) . . ? 
C8 C8 C51 127(2) 10_557 . ? 
C7 C8 C10 89.2(9) . 10_557 ? 
C9 C8 C10 48.2(10) . 10_557 ? 
C8 C8 C10 92.2(14) 10_557 10_557 ? 
C51 C8 C10 126(3) . 10_557 ? 
C10 C9 C8 120.3(10) . . ? 
C10 C9 H9 119.9 . . ? 
C8 C9 H9 119.9 . . ? 
C9 C10 C11 119.6(10) . . ? 
C9 C10 C21 122(2) . . ? 
C11 C10 C21 117.9(19) . . ? 
C9 C10 C10 54.5(16) . 10_557 ? 
C11 C10 C10 90.1(17) . 10_557 ? 
C21 C10 C10 117.2(19) . 10_557 ? 
C9 C10 C8 48.1(10) . 10_557 ? 
C11 C10 C8 89.7(16) . 10_557 ? 
C21 C10 C8 141(2) . 10_557 ? 
C10 C10 C8 87.8(14) 10_557 10_557 ? 
C6 C11 C10 119.8(10) . . ? 
C6 C11 H11 120.1 . . ? 
C10 C11 H11 120.1 . . ? 
C22 C21 C26 119.7(10) . . ? 
C22 C21 C10 113(2) . . ? 
C26 C21 C10 127(2) . . ? 
C21 C22 C23 120.4(11) . . ? 
C21 C22 H22 119.8 . . ? 
C23 C22 H22 119.8 . . ? 
C24 C23 C22 119.8(11) . . ? 
C24 C23 H23 120.1 . . ? 
C22 C23 H23 120.1 . . ? 
C23 C24 C25 120.2(10) . . ? 
C23 C24 C32 119.6(15) . . ? 
C25 C24 C32 120.2(10) . . ? 
C24 C25 C33 120.2(10) . . ? 
C24 C25 C26 120.1(10) . . ? 
C33 C25 C26 119.6(15) . . ? 
C21 C26 C25 119.8(11) . . ? 
C21 C26 H26 120.1 . . ? 
C25 C26 H26 120.1 . . ? 
C34 C31 C32 120.4(11) . . ? 
C34 C31 C35 120.1(12) . . ? 
C32 C31 C35 119.3(12) . . ? 
C34 C31 C67 121.7(16) . 7_656 ? 
C32 C31 C67 115.2(15) . 7_656 ? 
C35 C31 C67 13(2) . 7_656 ? 
C31 C32 C24 119.4(11) . . ? 
C31 C32 H32 120.3 . . ? 
C24 C32 H32 120.3 . . ? 
C25 C33 C34 119.4(11) . . ? 
C25 C33 H33 120.3 . . ? 
C34 C33 H33 120.3 . . ? 
C31 C34 C33 119.8(11) . . ? 
C31 C34 H34 120.1 . . ? 
C33 C34 H34 120.1 . . ? 
C67 C35 O6 82(3) 7_656 7_656 ? 
C67 C35 O7 79(3) 7_656 7_656 ? 
O6 C35 O7 129(3) 7_656 7_656 ? 
C67 C35 C31 127(7) 7_656 . ? 
O6 C35 C31 111.2(18) 7_656 . ? 
O7 C35 C31 117.7(19) 7_656 . ? 
C67 C35 C61 48(6) 7_656 7_656 ? 
O6 C35 C61 98(2) 7_656 7_656 ? 
O7 C35 C61 103(2) 7_656 7_656 ? 
C31 C35 C61 80(3) . 7_656 ? 
C67 C35 Eu1 98(5) 7_656 5_545 ? 
O6 C35 Eu1 35.4(15) 7_656 5_545 ? 
O7 C35 Eu1 103(2) 7_656 5_545 ? 
C31 C35 Eu1 121.8(18) . 5_545 ? 
C61 C35 Eu1 131.5(14) 7_656 5_545 ? 
C54 C51 C52 118.6(11) . . ? 
C54 C51 C8 114(3) . . ? 
C52 C51 C8 127(3) . . ? 
C53 C52 C51 120.8(11) . . ? 
C53 C52 H52 119.6 . . ? 
C51 C52 H52 119.6 . . ? 
C52 C53 C63 120.1(11) . . ? 
C52 C53 H53 119.9 . . ? 
C63 C53 H53 119.9 . . ? 
C64 C54 C51 119.8(11) . . ? 
C64 C54 H54 120.1 . . ? 
C51 C54 H54 120.1 . . ? 
C62 C61 C66 119.3(11) . . ? 
C62 C61 C67 122.5(12) . . ? 
C66 C61 C67 118.2(11) . . ? 
C62 C61 C35 118.6(13) . 7_646 ? 
C66 C61 C35 120.6(13) . 7_646 ? 
C67 C61 C35 15(2) . 7_646 ? 
C61 C62 C63 121.1(11) . . ? 
C61 C62 H62 119.5 . . ? 
C63 C62 H62 119.5 . . ? 
C62 C63 C64 118.9(11) . . ? 
C62 C63 C53 122.7(14) . . ? 
C64 C63 C53 118.2(10) . . ? 
C65 C64 C54 117.4(17) . . ? 
C65 C64 C63 119.7(12) . . ? 
C54 C64 C63 121.5(11) . . ? 
C64 C65 C66 119.9(12) . . ? 
C64 C65 H65 120.0 . . ? 
C66 C65 H65 120.0 . . ? 
C65 C66 C61 119.5(11) . . ? 
C65 C66 H66 120.2 . . ? 
C61 C66 H66 120.2 . . ? 
C35 C67 O7 78(3) 7_646 . ? 
C35 C67 O6 76(3) 7_646 . ? 
O7 C67 O6 126(2) . . ? 
C35 C67 C61 118(7) 7_646 . ? 
O7 C67 C61 120.3(16) . . ? 
O6 C67 C61 113.2(15) . . ? 
C35 C67 C31 40(6) 7_646 7_646 ? 
O7 C67 C31 97(3) . 7_646 ? 
O6 C67 C31 92(2) . 7_646 ? 
C61 C67 C31 78(2) . 7_646 ? 
Eu1 O1 Eu2 112.8(4) . . ? 
Eu1 O1 Eu2 113.4(4) . 4_566 ? 
Eu2 O1 Eu2 115.1(3) . 4_566 ? 
Eu1 O2 Eu2 112.5(3) . . ? 
Eu1 O2 Eu2 112.5(3) . 12_655 ? 
Eu2 O2 Eu2 114.4(5) . 12_655 ? 
C1 O3 Eu1 133.4(9) . . ? 
C1 O4 Eu2 142.1(11) . . ? 
Eu1 O5 Eu2 111.7(4) . 9_666 ? 
Eu1 O5 Eu2 111.7(4) . 4_566 ? 
Eu2 O5 Eu2 113.4(4) 9_666 4_566 ? 
C35 O6 C67 22(3) 7_646 . ? 
C35 O6 Eu1 126(2) 7_646 10_547 ? 
C67 O6 Eu1 133.2(13) . 10_547 ? 
C35 O7 C67 23(3) 7_646 . ? 
C35 O7 Eu2 130(2) 7_646 11_556 ? 
C67 O7 Eu2 138.1(14) . 11_556 ? 
O6 Eu1 O6 78.0(7) 10_567 3_666 ? 
O6 Eu1 O3 77.8(4) 10_567 . ? 
O6 Eu1 O3 124.6(4) 3_666 . ? 
O6 Eu1 O3 124.6(4) 10_567 12_655 ? 
O6 Eu1 O3 77.8(4) 3_666 12_655 ? 
O3 Eu1 O3 76.5(5) . 12_655 ? 
O6 Eu1 O1 78.6(4) 10_567 . ? 
O6 Eu1 O1 141.6(4) 3_666 . ? 
O3 Eu1 O1 78.9(3) . . ? 
O3 Eu1 O1 140.5(4) 12_655 . ? 
O6 Eu1 O1 141.6(4) 10_567 12_655 ? 
O6 Eu1 O1 78.6(4) 3_666 12_655 ? 
O3 Eu1 O1 140.5(4) . 12_655 ? 
O3 Eu1 O1 78.9(3) 12_655 12_655 ? 
O1 Eu1 O1 102.4(4) . 12_655 ? 
O6 Eu1 O2 141.0(3) 10_567 . ? 
O6 Eu1 O2 141.0(3) 3_666 . ? 
O3 Eu1 O2 77.2(3) . . ? 
O3 Eu1 O2 77.2(3) 12_655 . ? 
O1 Eu1 O2 67.5(3) . . ? 
O1 Eu1 O2 67.5(3) 12_655 . ? 
O6 Eu1 O5 77.8(4) 10_567 . ? 
O6 Eu1 O5 77.8(4) 3_666 . ? 
O3 Eu1 O5 141.7(3) . . ? 
O3 Eu1 O5 141.7(3) 12_655 . ? 
O1 Eu1 O5 67.7(3) . . ? 
O1 Eu1 O5 67.7(3) 12_655 . ? 
O2 Eu1 O5 105.0(4) . . ? 
O6 Eu1 C35 18.7(6) 10_567 16_655 ? 
O6 Eu1 C35 91.4(8) 3_666 16_655 ? 
O3 Eu1 C35 80.1(6) . 16_655 ? 
O3 Eu1 C35 141.7(5) 12_655 16_655 ? 
O1 Eu1 C35 60.6(7) . 16_655 ? 
O1 Eu1 C35 135.4(5) 12_655 16_655 ? 
O2 Eu1 C35 126.2(7) . 16_655 ? 
O5 Eu1 C35 67.7(5) . 16_655 ? 
O6 Eu1 C35 91.4(8) 10_567 5_455 ? 
O6 Eu1 C35 18.7(6) 3_666 5_455 ? 
O3 Eu1 C35 141.7(5) . 5_455 ? 
O3 Eu1 C35 80.1(6) 12_655 5_455 ? 
O1 Eu1 C35 135.4(5) . 5_455 ? 
O1 Eu1 C35 60.6(7) 12_655 5_455 ? 
O2 Eu1 C35 126.2(7) . 5_455 ? 
O5 Eu1 C35 67.7(5) . 5_455 ? 
C35 Eu1 C35 101.1(15) 16_655 5_455 ? 
O6 Eu1 Eu2 108.8(3) 10_567 . ? 
O6 Eu1 Eu2 164.2(3) 3_666 . ? 
O3 Eu1 Eu2 71.1(2) . . ? 
O3 Eu1 Eu2 107.8(3) 12_655 . ? 
O1 Eu1 Eu2 34.0(2) . . ? 
O1 Eu1 Eu2 87.9(2) 12_655 . ? 
O2 Eu1 Eu2 33.94(11) . . ? 
O5 Eu1 Eu2 89.5(3) . . ? 
C35 Eu1 Eu2 92.5(7) 16_655 . ? 
C35 Eu1 Eu2 145.9(5) 5_455 . ? 
O6 Eu1 Eu2 164.2(3) 10_567 12_655 ? 
O6 Eu1 Eu2 108.8(3) 3_666 12_655 ? 
O3 Eu1 Eu2 107.8(3) . 12_655 ? 
O3 Eu1 Eu2 71.1(2) 12_655 12_655 ? 
O1 Eu1 Eu2 87.9(2) . 12_655 ? 
O1 Eu1 Eu2 34.0(2) 12_655 12_655 ? 
O2 Eu1 Eu2 33.94(11) . 12_655 ? 
O5 Eu1 Eu2 89.5(3) . 12_655 ? 
C35 Eu1 Eu2 145.9(5) 16_655 12_655 ? 
C35 Eu1 Eu2 92.5(7) 5_455 12_655 ? 
Eu2 Eu1 Eu2 61.08(4) . 12_655 ? 
O4 Eu2 O7 136.8(4) . 11 ? 
O4 Eu2 O2 73.6(4) . . ? 
O7 Eu2 O2 138.5(4) 11 . ? 
O4 Eu2 O1 75.5(4) . . ? 
O7 Eu2 O1 136.7(4) 11 . ? 
O2 Eu2 O1 66.1(4) . . ? 
O4 Eu2 O1 137.8(4) . 4_566 ? 
O7 Eu2 O1 75.2(4) 11 4_566 ? 
O2 Eu2 O1 99.6(3) . 4_566 ? 
O1 Eu2 O1 64.2(3) . 4_566 ? 
O4 Eu2 O5 136.4(4) . 9_666 ? 
O7 Eu2 O5 74.9(4) 11 9_666 ? 
O2 Eu2 O5 65.6(3) . 9_666 ? 
O1 Eu2 O5 100.5(4) . 9_666 ? 
O1 Eu2 O5 66.5(4) 4_566 9_666 ? 
O4 Eu2 O10 80.1(5) . . ? 
O7 Eu2 O10 81.8(5) 11 . ? 
O2 Eu2 O10 76.9(5) . . ? 
O1 Eu2 O10 140.1(4) . . ? 
O1 Eu2 O10 140.1(4) 4_566 . ? 
O5 Eu2 O10 76.3(5) 9_666 . ? 
O4 Eu2 O8 82.7(4) . . ? 
O7 Eu2 O8 81.5(5) 11 . ? 
O2 Eu2 O8 138.1(5) . . ? 
O1 Eu2 O8 74.9(4) . . ? 
O1 Eu2 O8 75.6(4) 4_566 . ? 
O5 Eu2 O8 139.2(4) 9_666 . ? 
O10 Eu2 O8 132.7(6) . . ? 
O4 Eu2 O9 69.5(5) . . ? 
O7 Eu2 O9 67.3(5) 11 . ? 
O2 Eu2 O9 128.5(6) . . ? 
O1 Eu2 O9 132.7(6) . . ? 
O1 Eu2 O9 131.8(6) 4_566 . ? 
O5 Eu2 O9 126.8(6) 9_666 . ? 
O10 Eu2 O9 62.6(8) . . ? 
O8 Eu2 O9 70.1(8) . . ? 
O4 Eu2 Eu1 67.1(3) . . ? 
O7 Eu2 Eu1 156.1(3) 11 . ? 
O2 Eu2 Eu1 33.5(3) . . ? 
O1 Eu2 Eu1 33.1(2) . . ? 
O1 Eu2 Eu1 84.3(2) 4_566 . ? 
O5 Eu2 Eu1 85.8(3) 9_666 . ? 
O10 Eu2 Eu1 107.7(4) . . ? 
O8 Eu2 Eu1 105.4(4) . . ? 
O9 Eu2 Eu1 136.6(4) . . ? 
O4 Eu2 Eu1 154.9(3) . 9_666 ? 
O7 Eu2 Eu1 68.3(3) 11 9_666 ? 
O2 Eu2 Eu1 85.0(2) . 9_666 ? 
O1 Eu2 Eu1 84.00(19) . 9_666 ? 
O1 Eu2 Eu1 32.9(2) 4_566 9_666 ? 
O5 Eu2 Eu1 34.0(3) 9_666 9_666 ? 
O10 Eu2 Eu1 108.0(3) . 9_666 ? 
O8 Eu2 Eu1 106.1(3) . 9_666 ? 
O9 Eu2 Eu1 135.5(4) . 9_666 ? 
Eu1 Eu2 Eu1 87.78(3) . 9_666 ? 
O4 Eu2 Eu2 103.8(3) . 12_655 ? 
O7 Eu2 Eu2 106.1(4) 11 12_655 ? 
O2 Eu2 Eu2 32.8(2) . 12_655 ? 
O1 Eu2 Eu2 85.6(2) . 12_655 ? 
O1 Eu2 Eu2 85.6(2) 4_566 12_655 ? 
O5 Eu2 Eu2 33.3(2) 9_666 12_655 ? 
O10 Eu2 Eu2 70.0(4) . 12_655 ? 
O8 Eu2 Eu2 157.3(4) . 12_655 ? 
O9 Eu2 Eu2 132.6(7) . 12_655 ? 
Eu1 Eu2 Eu2 59.46(2) . 12_655 ? 
Eu1 Eu2 Eu2 59.545(19) 9_666 12_655 ? 
  
_refine_diff_density_max    0.958 
_refine_diff_density_min   -0.816 
_refine_diff_density_rms    0.124 
  
  
  
  
# start Validation Reply Form
_vrf_THETM01_shelx
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: As the single crystals of this compound were small, and there 
are large pores occupied by highly disordered guest molecules,
no observable diffraction spots were found at high theta angles, and
thus the sine(theta_max)/wavelength value is low. 
Many attempts to increase the size of the single crystals failed.
;
_vrf_PLAT342_shelx
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0212 Ang.  
RESPONSE: Low bond precision on  C-C bonds should be resulted from 
the disorder of the ligand in the structure at two positions and the relatively 
low quality of the diffraction data.
;
# end Validation Reply Form


 
data_shelx
 
_audit_creation_method            'SHELXL-2018/1'
_shelx_SHELXL_version_number      '2018/1'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C84 H42 Eu6 N2 O35' 
_chemical_formula_weight          2550.95

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0181   0.0091
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0311   0.0180
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0492   0.0322
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Eu'  'Eu'  -8.9294  11.1857
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            15
_space_group_name_H-M_alt         'C 2/c'
_space_group_name_Hall            '-C 2yc'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a                    21.2622(13)
_cell_length_b                    34.585(2)
_cell_length_c                    25.8759(15)
_cell_angle_alpha                 90
_cell_angle_beta                  92.438(3)
_cell_angle_gamma                 90
_cell_volume                      19011(2)
_cell_formula_units_Z             4
_cell_measurement_temperature     140(2)
_cell_measurement_reflns_used     82752
_cell_measurement_theta_min       2.441
_cell_measurement_theta_max       50.432
 
_exptl_crystal_description        block
_exptl_crystal_colour             ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     0.891          
_exptl_crystal_F_000              4872
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_absorpt_coefficient_mu     14.278
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       140(2)
_diffrn_radiation_wavelength      1.54178
_diffrn_radiation_type            CuK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             82752
_diffrn_reflns_av_unetI/netI      0.1300
_diffrn_reflns_av_R_equivalents   0.2347
_diffrn_reflns_limit_h_min        -21
_diffrn_reflns_limit_h_max        21
_diffrn_reflns_limit_k_min        -34
_diffrn_reflns_limit_k_max        34
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          2.441
_diffrn_reflns_theta_max          50.432
_diffrn_reflns_theta_full         50.432
_diffrn_measured_fraction_theta_max   1.000
_diffrn_measured_fraction_theta_full  1.000
_diffrn_reflns_Laue_measured_fraction_max    1.000
_diffrn_reflns_Laue_measured_fraction_full   1.000
_diffrn_reflns_point_group_measured_fraction_max   1.000
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              9961
_reflns_number_gt                 4168
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1550P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          9961
_refine_ls_number_parameters      586
_refine_ls_number_restraints      552
_refine_ls_R_factor_all           0.1971
_refine_ls_R_factor_gt            0.0813
_refine_ls_wR_factor_ref          0.2866
_refine_ls_wR_factor_gt           0.2038
_refine_ls_goodness_of_fit_ref    1.003
_refine_ls_restrained_S_all       0.981
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
C1 C 0.8577(9) 0.5235(6) 0.1963(8) 0.094(5) Uani 1 1 d . U . . .
C2 C 0.8898(9) 0.5168(6) 0.2429(7) 0.092(5) Uani 1 1 d . U . . .
H2 H 0.925390 0.500200 0.245025 0.110 Uiso 1 1 calc R U . . .
C3 C 0.8687(10) 0.5347(6) 0.2858(7) 0.086(5) Uani 1 1 d . U . . .
C4 C 0.8133(9) 0.5564(6) 0.2845(7) 0.094(6) Uani 1 1 d . U . . .
H4 H 0.798281 0.567199 0.315356 0.113 Uiso 1 1 calc R U . . .
C5 C 0.7815(9) 0.5618(6) 0.2394(7) 0.089(5) Uani 1 1 d . U . . .
C6 C 0.8018(9) 0.5478(6) 0.1929(8) 0.099(6) Uani 1 1 d . U . . .
H6 H 0.780680 0.553669 0.160782 0.118 Uiso 1 1 calc R U . . .
C7 C 0.8812(11) 0.5093(8) 0.1445(9) 0.103(6) Uani 1 1 d . U . . .
C8 C 0.9019(11) 0.5304(7) 0.3363(9) 0.098(5) Uani 1 1 d . U . . .
C11 C 0.7183(11) 0.6217(8) 0.2545(9) 0.122(6) Uani 1 1 d . U . . .
C12 C 0.7631(11) 0.6457(8) 0.2816(9) 0.132(7) Uani 1 1 d . U . . .
H12 H 0.805651 0.637793 0.287360 0.158 Uiso 1 1 calc R U . . .
C13 C 0.7421(13) 0.6808(8) 0.2990(10) 0.153(8) Uani 1 1 d . U . . .
H13 H 0.769270 0.696387 0.320365 0.183 Uiso 1 1 calc R U . . .
C14 C 0.6807(14) 0.6940(9) 0.2856(12) 0.165(8) Uani 1 1 d . U . . .
C15 C 0.6396(13) 0.6724(9) 0.2547(11) 0.162(9) Uani 1 1 d . U . . .
H15 H 0.599314 0.682128 0.244087 0.195 Uiso 1 1 calc R U . . .
C16 C 0.6581(11) 0.6376(8) 0.2405(9) 0.130(7) Uani 1 1 d . U . . .
C21 C 0.6691(10) 0.5730(8) 0.2098(9) 0.116(6) Uani 1 1 d . U . . .
C22 C 0.6275(11) 0.6051(8) 0.2124(9) 0.128(7) Uani 1 1 d . U . . .
C23 C 0.5654(11) 0.6008(9) 0.1912(10) 0.155(8) Uani 1 1 d . U . . .
H23 H 0.535472 0.621089 0.193205 0.186 Uiso 1 1 calc R U . . .
C24 C 0.5503(12) 0.5670(10) 0.1679(12) 0.157(8) Uani 1 1 d . U . . .
C25 C 0.5917(12) 0.5347(9) 0.1642(11) 0.161(9) Uani 1 1 d . U . . .
H25 H 0.578789 0.511474 0.147125 0.194 Uiso 1 1 calc R U . . .
C26 C 0.6537(11) 0.5389(8) 0.1874(10) 0.140(8) Uani 1 1 d . U . . .
H26 H 0.683229 0.518327 0.186957 0.167 Uiso 1 1 calc R U . . .
C31 C 0.6608(14) 0.7338(9) 0.3027(12) 0.174(9) Uani 1 1 d . U . . .
C32 C 0.6769(15) 0.7444(10) 0.3529(12) 0.203(11) Uani 1 1 d . U . . .
H32 H 0.701886 0.727933 0.374792 0.243 Uiso 1 1 calc R U . . .
C33 C 0.6552(16) 0.7804(10) 0.3708(13) 0.208(10) Uani 1 1 d . U . . .
C34 C 0.6189(16) 0.8038(10) 0.3391(12) 0.185(9) Uani 1 1 d . U . . .
C35 C 0.6003(15) 0.7914(9) 0.2901(11) 0.187(10) Uani 1 1 d . U . . .
H35 H 0.572615 0.806538 0.268638 0.224 Uiso 1 1 calc R U . . .
C36 C 0.6219(14) 0.7577(9) 0.2735(11) 0.177(10) Uani 1 1 d . U . . .
H36 H 0.609729 0.749786 0.239397 0.213 Uiso 1 1 calc R U . . .
C37 C 0.6742(17) 0.7878(10) 0.4263(12) 0.230(12) Uani 1 1 d . U . . .
H37 H 0.700949 0.770962 0.446248 0.276 Uiso 1 1 calc R U . . .
C38 C 0.6467(17) 0.8247(10) 0.4474(12) 0.227(11) Uani 1 1 d . U . . .
H38 H 0.653634 0.832223 0.482455 0.272 Uiso 1 1 calc R U . . .
C39 C 0.6072(16) 0.8490(10) 0.4093(12) 0.188(9) Uani 1 1 d . U . . .
C40 C 0.5922(14) 0.8394(8) 0.3574(10) 0.170(9) Uani 1 1 d . U . . .
H40 H 0.566081 0.855409 0.335705 0.204 Uiso 1 1 calc R U . . .
C41 C 0.5851(14) 0.8842(9) 0.4374(12) 0.157(8) Uani 1 1 d . U . . .
C51 C 0.4835(12) 0.5640(11) 0.1455(12) 0.178(9) Uani 1 1 d . U . . .
C52 C 0.4354(13) 0.5878(11) 0.1614(13) 0.213(11) Uani 1 1 d . U . . .
H52 H 0.443976 0.607860 0.185755 0.256 Uiso 1 1 calc R U . . .
C53 C 0.3754(13) 0.5818(12) 0.1417(13) 0.217(11) Uani 1 1 d . U . . .
H53 H 0.343482 0.596549 0.157192 0.261 Uiso 1 1 calc R U . . .
C54 C 0.3558(13) 0.5584(12) 0.1040(12) 0.189(9) Uani 1 1 d . U . . .
C55 C 0.4094(14) 0.5348(12) 0.0830(13) 0.200(9) Uani 1 1 d . U . . .
C56 C 0.4743(13) 0.5377(10) 0.1020(12) 0.199(10) Uani 1 1 d . U . . .
H56 H 0.507706 0.523772 0.087421 0.239 Uiso 1 1 calc R U . . .
C57 C 0.2954(11) 0.5565(10) 0.0847(10) 0.179(9) Uani 1 1 d . U . . .
H57 H 0.263537 0.572639 0.097743 0.215 Uiso 1 1 calc R U . . .
C58 C 0.2813(12) 0.5294(10) 0.0440(10) 0.163(8) Uani 1 1 d . U . . .
C59 C 0.3336(12) 0.5033(11) 0.0221(11) 0.192(10) Uani 1 1 d . U . . .
H59 H 0.323286 0.484414 -0.003529 0.231 Uiso 1 1 calc R U . . .
C60 C 0.3970(12) 0.5081(11) 0.0408(12) 0.200(10) Uani 1 1 d . U . . .
H60 H 0.430305 0.494132 0.026062 0.240 Uiso 1 1 calc R U . . .
C61 C 0.2136(13) 0.5255(11) 0.0223(11) 0.131(8) Uani 1 1 d . U . . .
N1 N 0.7264(8) 0.5843(6) 0.2348(6) 0.109(5) Uani 1 1 d . U . . .
O3 O 0.9248(6) 0.4830(4) 0.1489(4) 0.096(4) Uani 1 1 d . U . . .
O4 O 0.8573(6) 0.5225(5) 0.1043(5) 0.113(5) Uani 1 1 d . U . . .
O5 O 0.9394(6) 0.4986(4) 0.3406(5) 0.098(4) Uani 1 1 d . U . . .
O6 O 0.8971(7) 0.5537(5) 0.3719(5) 0.111(5) Uani 1 1 d . U . . .
O7 O 0.5950(7) 0.8914(4) 0.4841(6) 0.129(5) Uani 1 1 d . U . . .
O8 O 0.5508(7) 0.9066(4) 0.4020(6) 0.117(5) Uani 1 1 d . U . . .
O9 O 0.1787(7) 0.5516(5) 0.0374(6) 0.115(5) Uani 1 1 d . U . . .
O10 O 0.2021(6) 0.4920(6) -0.0013(5) 0.121(5) Uani 1 1 d . U . . .
O11 O 0.9837(5) 0.4689(3) 0.5740(4) 0.068(3) Uani 1 1 d . U . . .
O12 O 1.0218(5) 0.5641(3) 0.5137(4) 0.072(3) Uani 1 1 d . U . . .
O13 O 1.0841(5) 0.5080(3) 0.5516(4) 0.069(3) Uani 1 1 d . U . . .
O14 O 1.0767(5) 0.4730(3) 0.4654(4) 0.075(2) Uani 1 1 d . U . . .
O15 O 0.9091(8) 0.4216(5) 0.3854(6) 0.141(5) Uani 1 1 d . U . . .
O16 O 1.1031(8) 0.6002(4) 0.4327(6) 0.146(6) Uani 1 1 d . U . . .
O17 O 1.1539(7) 0.5821(5) 0.5399(6) 0.142(5) Uani 1 1 d . U . . .
O18 O 1.0215(9) 0.3862(4) 0.5793(5) 0.144(6) Uani 1 1 d . U . . .
O19 O 0.9890(12) 0.4249(7) 0.3148(8) 0.158(7) Uani 0.75 1 d . U P . .
O20 O 1.140(2) 0.3811(11) 0.5804(12) 0.192(11) Uani 0.5 1 d . U P . .
O21 O 1.207(4) 0.587(2) 0.440(3) 0.207(16) Uani 0.25 1 d . U P . .
Eu1 Eu 0.99575(5) 0.46411(4) 0.40354(4) 0.0825(5) Uani 1 1 d . U . . .
Eu2 Eu 1.10966(6) 0.53767(4) 0.47597(5) 0.0918(5) Uani 1 1 d . U . . .
Eu3 Eu 1.07101(6) 0.43987(4) 0.54109(5) 0.0925(5) Uani 1 1 d . U . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
C1 C2 1.38(2) . ?
C1 C6 1.46(3) . ?
C1 C7 1.53(3) . ?
C2 C3 1.36(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.40(2) . ?
C3 C8 1.47(3) . ?
C4 C5 1.34(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.38(2) . ?
C5 N1 1.41(2) . ?
C6 H6 0.9500 . ?
C7 O4 1.23(2) . ?
C7 O3 1.30(3) . ?
C8 O6 1.23(2) . ?
C8 O5 1.36(2) . ?
C11 N1 1.40(3) . ?
C11 C12 1.43(3) . ?
C11 C16 1.43(3) . ?
C12 C13 1.38(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.41(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.38(3) . ?
C14 C31 1.51(3) . ?
C15 C16 1.32(3) . ?
C15 H15 0.9500 . ?
C16 C22 1.47(3) . ?
C21 C26 1.35(3) . ?
C21 N1 1.41(2) . ?
C21 C22 1.42(3) . ?
C22 C23 1.42(3) . ?
C23 C24 1.35(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.43(4) . ?
C24 C51 1.52(3) . ?
C25 C26 1.43(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.37(3) . ?
C31 C32 1.38(3) . ?
C32 C33 1.41(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.37(4) . ?
C33 C37 1.49(4) . ?
C34 C35 1.38(3) . ?
C34 C40 1.44(3) . ?
C35 C36 1.33(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.52(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.52(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.41(3) . ?
C39 C41 1.51(3) . ?
C40 H40 0.9500 . ?
C41 O7 1.24(3) . ?
C41 O8 1.38(3) . ?
C51 C52 1.39(4) . ?
C51 C56 1.45(4) . ?
C52 C53 1.37(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.32(4) . ?
C53 H53 0.9500 . ?
C54 C57 1.36(3) . ?
C54 C55 1.52(4) . ?
C55 C60 1.45(4) . ?
C55 C56 1.45(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.43(4) . ?
C57 H57 0.9500 . ?
C58 C61 1.53(3) . ?
C58 C59 1.56(4) . ?
C59 C60 1.42(3) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 O9 1.24(3) . ?
C61 O10 1.33(3) . ?
O3 Eu1 2.306(13) 2_755 ?
O4 Eu2 2.282(14) 2_755 ?
O5 Eu1 2.313(13) . ?
O6 Eu3 2.334(13) 5_766 ?
O7 Eu3 2.305(15) 3_455 ?
O8 Eu1 2.310(15) 3_455 ?
O9 Eu3 2.314(15) 6_465 ?
O10 Eu2 2.273(16) 6_465 ?
O11 Eu3 2.305(11) . ?
O11 Eu2 2.334(10) 5_766 ?
O11 Eu1 2.422(10) 5_766 ?
O12 Eu2 2.331(11) . ?
O12 Eu3 2.383(10) 5_766 ?
O12 Eu1 2.397(11) 5_766 ?
O13 Eu2 2.295(10) . ?
O13 Eu1 2.307(10) 5_766 ?
O13 Eu3 2.387(12) . ?
O14 Eu3 2.277(11) . ?
O14 Eu1 2.319(10) . ?
O14 Eu2 2.357(12) . ?
O15 Eu1 2.388(14) . ?
O16 Eu2 2.438(15) . ?
O17 Eu2 2.420(15) . ?
O18 Eu3 2.370(15) . ?
O19 Eu1 2.665(19) . ?
O20 Eu3 2.68(3) . ?
O21 Eu2 2.87(6) . ?
Eu1 Eu3 3.9074(18) 5_766 ?
Eu1 Eu2 3.9168(17) 5_766 ?
Eu1 Eu3 3.9303(17) . ?
Eu2 Eu3 3.8823(19) . ?
Eu2 Eu3 3.9257(18) 5_766 ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
C2 C1 C6 121.4(18) . . ?
C2 C1 C7 123(2) . . ?
C6 C1 C7 115.3(19) . . ?
C3 C2 C1 118(2) . . ?
C3 C2 H2 121.0 . . ?
C1 C2 H2 121.0 . . ?
C2 C3 C4 122.0(19) . . ?
C2 C3 C8 121(2) . . ?
C4 C3 C8 116.8(19) . . ?
C5 C4 C3 119.5(19) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 123(2) . . ?
C4 C5 N1 122.6(19) . . ?
C6 C5 N1 114.3(18) . . ?
C5 C6 C1 115.8(19) . . ?
C5 C6 H6 122.1 . . ?
C1 C6 H6 122.1 . . ?
O4 C7 O3 127(2) . . ?
O4 C7 C1 119(2) . . ?
O3 C7 C1 114(2) . . ?
O6 C8 O5 122(2) . . ?
O6 C8 C3 123(2) . . ?
O5 C8 C3 114(2) . . ?
N1 C11 C12 129(2) . . ?
N1 C11 C16 113(2) . . ?
C12 C11 C16 118(2) . . ?
C13 C12 C11 117(2) . . ?
C13 C12 H12 121.5 . . ?
C11 C12 H12 121.5 . . ?
C12 C13 C14 121(3) . . ?
C12 C13 H13 119.5 . . ?
C14 C13 H13 119.5 . . ?
C15 C14 C13 122(3) . . ?
C15 C14 C31 119(3) . . ?
C13 C14 C31 119(3) . . ?
C16 C15 C14 118(3) . . ?
C16 C15 H15 121.1 . . ?
C14 C15 H15 121.1 . . ?
C15 C16 C11 124(3) . . ?
C15 C16 C22 134(2) . . ?
C11 C16 C22 102(2) . . ?
C26 C21 N1 129(2) . . ?
C26 C21 C22 124(2) . . ?
N1 C21 C22 107(2) . . ?
C23 C22 C21 118(2) . . ?
C23 C22 C16 131(2) . . ?
C21 C22 C16 111(2) . . ?
C24 C23 C22 118(3) . . ?
C24 C23 H23 121.1 . . ?
C22 C23 H23 121.1 . . ?
C23 C24 C25 125(3) . . ?
C23 C24 C51 116(3) . . ?
C25 C24 C51 119(3) . . ?
C24 C25 C26 117(3) . . ?
C24 C25 H25 121.7 . . ?
C26 C25 H25 121.7 . . ?
C21 C26 C25 118(3) . . ?
C21 C26 H26 120.9 . . ?
C25 C26 H26 120.9 . . ?
C36 C31 C32 118(3) . . ?
C36 C31 C14 124(3) . . ?
C32 C31 C14 117(3) . . ?
C31 C32 C33 118(3) . . ?
C31 C32 H32 120.9 . . ?
C33 C32 H32 120.9 . . ?
C34 C33 C32 120(3) . . ?
C34 C33 C37 127(3) . . ?
C32 C33 C37 113(3) . . ?
C33 C34 C35 120(3) . . ?
C33 C34 C40 122(3) . . ?
C35 C34 C40 118(3) . . ?
C36 C35 C34 119(3) . . ?
C36 C35 H35 120.7 . . ?
C34 C35 H35 120.7 . . ?
C35 C36 C31 124(3) . . ?
C35 C36 H36 118.0 . . ?
C31 C36 H36 118.0 . . ?
C33 C37 C38 113(3) . . ?
C33 C37 H37 123.4 . . ?
C38 C37 H37 123.4 . . ?
C37 C38 C39 116(3) . . ?
C37 C38 H38 121.9 . . ?
C39 C38 H38 121.9 . . ?
C40 C39 C41 126(3) . . ?
C40 C39 C38 126(3) . . ?
C41 C39 C38 108(3) . . ?
C39 C40 C34 116(3) . . ?
C39 C40 H40 122.1 . . ?
C34 C40 H40 122.1 . . ?
O7 C41 O8 127(3) . . ?
O7 C41 C39 126(3) . . ?
O8 C41 C39 107(2) . . ?
C52 C51 C56 122(3) . . ?
C52 C51 C24 122(3) . . ?
C56 C51 C24 116(3) . . ?
C53 C52 C51 119(3) . . ?
C53 C52 H52 120.4 . . ?
C51 C52 H52 120.4 . . ?
C54 C53 C52 129(3) . . ?
C54 C53 H53 115.6 . . ?
C52 C53 H53 115.6 . . ?
C53 C54 C57 124(3) . . ?
C53 C54 C55 112(3) . . ?
C57 C54 C55 124(3) . . ?
C60 C55 C56 116(3) . . ?
C60 C55 C54 120(3) . . ?
C56 C55 C54 124(3) . . ?
C55 C56 C51 114(3) . . ?
C55 C56 H56 123.2 . . ?
C51 C56 H56 123.2 . . ?
C54 C57 C58 118(3) . . ?
C54 C57 H57 121.1 . . ?
C58 C57 H57 121.1 . . ?
C57 C58 C61 119(3) . . ?
C57 C58 C59 121(2) . . ?
C61 C58 C59 119(3) . . ?
C60 C59 C58 119(3) . . ?
C60 C59 H59 120.3 . . ?
C58 C59 H59 120.3 . . ?
C59 C60 C55 118(3) . . ?
C59 C60 H60 121.0 . . ?
C55 C60 H60 121.0 . . ?
O9 C61 O10 133(3) . . ?
O9 C61 C58 113(3) . . ?
O10 C61 C58 113(3) . . ?
C11 N1 C5 126.5(18) . . ?
C11 N1 C21 107.8(19) . . ?
C5 N1 C21 126(2) . . ?
C7 O3 Eu1 133.3(14) . 2_755 ?
C7 O4 Eu2 136.5(15) . 2_755 ?
C8 O5 Eu1 139.3(13) . . ?
C8 O6 Eu3 138.9(16) . 5_766 ?
C41 O7 Eu3 137.3(18) . 3_455 ?
C41 O8 Eu1 136.3(16) . 3_455 ?
C61 O9 Eu3 135.4(19) . 6_465 ?
C61 O10 Eu2 130.9(17) . 6_465 ?
Eu3 O11 Eu2 115.6(4) . 5_766 ?
Eu3 O11 Eu1 111.5(4) . 5_766 ?
Eu2 O11 Eu1 111.5(4) 5_766 5_766 ?
Eu2 O12 Eu3 112.8(4) . 5_766 ?
Eu2 O12 Eu1 111.9(4) . 5_766 ?
Eu3 O12 Eu1 110.6(4) 5_766 5_766 ?
Eu2 O13 Eu1 116.6(5) . 5_766 ?
Eu2 O13 Eu3 112.0(4) . . ?
Eu1 O13 Eu3 112.7(4) 5_766 . ?
Eu3 O14 Eu1 117.5(5) . . ?
Eu3 O14 Eu2 113.8(4) . . ?
Eu1 O14 Eu2 114.5(5) . . ?
O3 Eu1 O13 138.6(5) 2_755 5_766 ?
O3 Eu1 O8 81.3(5) 2_755 3_545 ?
O13 Eu1 O8 138.8(5) 5_766 3_545 ?
O3 Eu1 O5 79.1(4) 2_755 . ?
O13 Eu1 O5 76.6(4) 5_766 . ?
O8 Eu1 O5 132.8(5) 3_545 . ?
O3 Eu1 O14 80.0(4) 2_755 . ?
O13 Eu1 O14 97.9(3) 5_766 . ?
O8 Eu1 O14 76.4(5) 3_545 . ?
O5 Eu1 O14 139.9(5) . . ?
O3 Eu1 O15 129.6(5) 2_755 . ?
O13 Eu1 O15 77.2(5) 5_766 . ?
O8 Eu1 O15 81.5(6) 3_545 . ?
O5 Eu1 O15 78.9(5) . . ?
O14 Eu1 O15 139.5(5) . . ?
O3 Eu1 O12 141.8(4) 2_755 5_766 ?
O13 Eu1 O12 64.8(4) 5_766 5_766 ?
O8 Eu1 O12 76.3(5) 3_545 5_766 ?
O5 Eu1 O12 138.1(4) . 5_766 ?
O14 Eu1 O12 64.9(4) . 5_766 ?
O15 Eu1 O12 77.2(4) . 5_766 ?
O3 Eu1 O11 75.0(4) 2_755 5_766 ?
O13 Eu1 O11 67.0(4) 5_766 5_766 ?
O8 Eu1 O11 137.9(5) 3_545 5_766 ?
O5 Eu1 O11 76.1(4) . 5_766 ?
O14 Eu1 O11 65.6(4) . 5_766 ?
O15 Eu1 O11 139.9(5) . 5_766 ?
O12 Eu1 O11 101.9(3) 5_766 5_766 ?
O3 Eu1 O19 69.6(7) 2_755 . ?
O13 Eu1 O19 129.2(6) 5_766 . ?
O8 Eu1 O19 63.6(6) 3_545 . ?
O5 Eu1 O19 69.4(6) . . ?
O14 Eu1 O19 132.3(6) . . ?
O15 Eu1 O19 60.3(7) . . ?
O12 Eu1 O19 124.0(6) 5_766 . ?
O11 Eu1 O19 134.1(6) 5_766 . ?
O3 Eu1 Eu3 105.2(4) 2_755 5_766 ?
O13 Eu1 Eu3 34.3(3) 5_766 5_766 ?
O8 Eu1 Eu3 158.6(4) 3_545 5_766 ?
O5 Eu1 Eu3 68.6(3) . 5_766 ?
O14 Eu1 Eu3 84.5(3) . 5_766 ?
O15 Eu1 Eu3 107.8(4) . 5_766 ?
O12 Eu1 Eu3 86.8(3) 5_766 5_766 ?
O11 Eu1 Eu3 33.3(3) 5_766 5_766 ?
O19 Eu1 Eu3 137.8(5) . 5_766 ?
O3 Eu1 Eu2 158.6(4) 2_755 5_766 ?
O13 Eu1 Eu2 31.6(3) 5_766 5_766 ?
O8 Eu1 Eu2 107.9(4) 3_545 5_766 ?
O5 Eu1 Eu2 105.8(3) . 5_766 ?
O14 Eu1 Eu2 83.4(3) . 5_766 ?
O15 Eu1 Eu2 71.6(4) . 5_766 ?
O12 Eu1 Eu2 33.5(3) 5_766 5_766 ?
O11 Eu1 Eu2 85.8(2) 5_766 5_766 ?
O19 Eu1 Eu2 131.8(6) . 5_766 ?
Eu3 Eu1 Eu2 59.50(3) 5_766 5_766 ?
O3 Eu1 Eu3 108.2(3) 2_755 . ?
O13 Eu1 Eu3 85.0(2) 5_766 . ?
O8 Eu1 Eu3 69.2(4) 3_545 . ?
O5 Eu1 Eu3 158.0(3) . . ?
O14 Eu1 Eu3 30.9(3) . . ?
O15 Eu1 Eu3 109.1(4) . . ?
O12 Eu1 Eu3 34.6(2) 5_766 . ?
O11 Eu1 Eu3 85.6(2) 5_766 . ?
O19 Eu1 Eu3 132.6(5) . . ?
Eu3 Eu1 Eu3 89.40(4) 5_766 . ?
Eu2 Eu1 Eu3 60.04(3) 5_766 . ?
O10 Eu2 O4 80.5(5) 6_666 2_755 ?
O10 Eu2 O13 79.1(5) 6_666 . ?
O4 Eu2 O13 140.0(5) 2_755 . ?
O10 Eu2 O12 140.2(4) 6_666 . ?
O4 Eu2 O12 139.0(4) 2_755 . ?
O13 Eu2 O12 66.1(4) . . ?
O10 Eu2 O11 143.6(5) 6_666 5_766 ?
O4 Eu2 O11 76.2(4) 2_755 5_766 ?
O13 Eu2 O11 101.6(4) . 5_766 ?
O12 Eu2 O11 65.9(4) . 5_766 ?
O10 Eu2 O14 81.4(5) 6_666 . ?
O4 Eu2 O14 77.1(5) 2_755 . ?
O13 Eu2 O14 66.1(4) . . ?
O12 Eu2 O14 100.4(4) . . ?
O11 Eu2 O14 66.4(4) 5_766 . ?
O10 Eu2 O17 78.6(6) 6_666 . ?
O4 Eu2 O17 130.0(5) 2_755 . ?
O13 Eu2 O17 78.5(5) . . ?
O12 Eu2 O17 76.1(5) . . ?
O11 Eu2 O17 137.6(5) 5_766 . ?
O14 Eu2 O17 142.0(5) . . ?
O10 Eu2 O16 123.5(6) 6_666 . ?
O4 Eu2 O16 78.5(5) 2_755 . ?
O13 Eu2 O16 141.0(5) . . ?
O12 Eu2 O16 79.3(5) . . ?
O11 Eu2 O16 78.6(5) 5_766 . ?
O14 Eu2 O16 141.1(5) . . ?
O17 Eu2 O16 76.3(5) . . ?
O10 Eu2 O21 74(2) 6_666 . ?
O4 Eu2 O21 65.7(17) 2_755 . ?
O13 Eu2 O21 138(2) . . ?
O12 Eu2 O21 120.3(17) . . ?
O11 Eu2 O21 119(2) 5_766 . ?
O14 Eu2 O21 138.0(16) . . ?
O17 Eu2 O21 65.0(17) . . ?
O16 Eu2 O21 50(2) . . ?
O10 Eu2 Eu3 72.0(4) 6_666 . ?
O4 Eu2 Eu3 105.9(4) 2_755 . ?
O13 Eu2 Eu3 34.8(3) . . ?
O12 Eu2 Eu3 88.3(3) . . ?
O11 Eu2 Eu3 87.9(3) 5_766 . ?
O14 Eu2 Eu3 32.5(3) . . ?
O17 Eu2 Eu3 109.9(4) . . ?
O16 Eu2 Eu3 164.5(4) . . ?
O21 Eu2 Eu3 145.9(19) . . ?
O10 Eu2 Eu1 107.7(4) 6_666 5_766 ?
O4 Eu2 Eu1 158.4(4) 2_755 5_766 ?
O13 Eu2 Eu1 31.8(3) . 5_766 ?
O12 Eu2 Eu1 34.6(3) . 5_766 ?
O11 Eu2 Eu1 86.4(2) 5_766 5_766 ?
O14 Eu2 Eu1 84.3(3) . 5_766 ?
O17 Eu2 Eu1 71.6(4) . 5_766 ?
O16 Eu2 Eu1 110.9(4) . 5_766 ?
O21 Eu2 Eu1 135.4(16) . 5_766 ?
Eu3 Eu2 Eu1 60.13(3) . 5_766 ?
O10 Eu2 Eu3 161.8(4) 6_666 5_766 ?
O4 Eu2 Eu3 106.3(3) 2_755 5_766 ?
O13 Eu2 Eu3 85.3(2) . 5_766 ?
O12 Eu2 Eu3 34.0(2) . 5_766 ?
O11 Eu2 Eu3 32.0(2) 5_766 5_766 ?
O14 Eu2 Eu3 83.7(3) . 5_766 ?
O17 Eu2 Eu3 107.5(4) . 5_766 ?
O16 Eu2 Eu3 74.7(4) . 5_766 ?
O21 Eu2 Eu3 124(2) . 5_766 ?
Eu3 Eu2 Eu3 89.83(4) . 5_766 ?
Eu1 Eu2 Eu3 60.15(3) 5_766 5_766 ?
O14 Eu3 O7 78.1(5) . 3_545 ?
O14 Eu3 O11 99.8(4) . . ?
O7 Eu3 O11 139.2(5) 3_545 . ?
O14 Eu3 O9 79.1(5) . 6_666 ?
O7 Eu3 O9 79.6(6) 3_545 6_666 ?
O11 Eu3 O9 140.6(5) . 6_666 ?
O14 Eu3 O6 139.4(5) . 5_766 ?
O7 Eu3 O6 128.5(5) 3_545 5_766 ?
O11 Eu3 O6 78.9(4) . 5_766 ?
O9 Eu3 O6 77.4(5) 6_666 5_766 ?
O14 Eu3 O18 142.5(4) . . ?
O7 Eu3 O18 79.2(6) 3_545 . ?
O11 Eu3 O18 78.9(5) . . ?
O9 Eu3 O18 125.1(6) 6_666 . ?
O6 Eu3 O18 77.7(5) 5_766 . ?
O14 Eu3 O12 65.8(4) . 5_766 ?
O7 Eu3 O12 77.2(5) 3_545 5_766 ?
O11 Eu3 O12 65.5(4) . 5_766 ?
O9 Eu3 O12 141.0(5) 6_666 5_766 ?
O6 Eu3 O12 141.1(5) 5_766 5_766 ?
O18 Eu3 O12 80.3(5) . 5_766 ?
O14 Eu3 O13 65.9(4) . . ?
O7 Eu3 O13 139.8(5) 3_545 . ?
O11 Eu3 O13 67.6(4) . . ?
O9 Eu3 O13 76.6(5) 6_666 . ?
O6 Eu3 O13 76.7(5) 5_766 . ?
O18 Eu3 O13 141.0(4) . . ?
O12 Eu3 O13 102.3(4) 5_766 . ?
O14 Eu3 O20 131.2(9) . . ?
O7 Eu3 O20 63.8(8) 3_545 . ?
O11 Eu3 O20 128.9(9) . . ?
O9 Eu3 O20 65.5(11) 6_666 . ?
O6 Eu3 O20 64.8(8) 5_766 . ?
O18 Eu3 O20 59.7(11) . . ?
O12 Eu3 O20 127.5(10) 5_766 . ?
O13 Eu3 O20 130.2(10) . . ?
O14 Eu3 Eu2 33.7(3) . . ?
O7 Eu3 Eu2 107.4(4) 3_545 . ?
O11 Eu3 Eu2 88.2(3) . . ?
O9 Eu3 Eu2 69.1(4) 6_666 . ?
O6 Eu3 Eu2 106.2(4) 5_766 . ?
O18 Eu3 Eu2 165.7(4) . . ?
O12 Eu3 Eu2 88.7(3) 5_766 . ?
O13 Eu3 Eu2 33.2(2) . . ?
O20 Eu3 Eu2 134.6(10) . . ?
O14 Eu3 Eu1 85.5(3) . 5_766 ?
O7 Eu3 Eu1 161.2(4) 3_545 5_766 ?
O11 Eu3 Eu1 35.2(3) . 5_766 ?
O9 Eu3 Eu1 106.4(4) 6_666 5_766 ?
O6 Eu3 Eu1 70.2(4) 5_766 5_766 ?
O18 Eu3 Eu1 109.7(4) . 5_766 ?
O12 Eu3 Eu1 87.8(3) 5_766 5_766 ?
O13 Eu3 Eu1 33.0(2) . 5_766 ?
O20 Eu3 Eu1 135.0(7) . 5_766 ?
Eu2 Eu3 Eu1 60.37(3) . 5_766 ?
O14 Eu3 Eu2 83.7(3) . 5_766 ?
O7 Eu3 Eu2 108.3(4) 3_545 5_766 ?
O11 Eu3 Eu2 32.4(2) . 5_766 ?
O9 Eu3 Eu2 159.2(4) 6_666 5_766 ?
O6 Eu3 Eu2 109.4(4) 5_766 5_766 ?
O18 Eu3 Eu2 75.6(4) . 5_766 ?
O12 Eu3 Eu2 33.2(3) 5_766 5_766 ?
O13 Eu3 Eu2 85.8(2) . 5_766 ?
O20 Eu3 Eu2 135.3(10) . 5_766 ?
Eu2 Eu3 Eu2 90.17(4) . 5_766 ?
Eu1 Eu3 Eu2 60.27(3) 5_766 5_766 ?
 
_refine_diff_density_max    0.645
_refine_diff_density_min   -1.341
_refine_diff_density_rms    0.116




# start Validation Reply Form
_vrf_THETM01_shelx
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: As the single crystals of this compound were small, and there 
are large pores occupied by highly disordered guest molecules,
no observable diffraction spots were found at high theta angles, and
thus the sine(theta_max)/wavelength value is low. 
Many attempts to increase the size of the single crystals failed.
;
_vrf_RINTA01_shelx
;
PROBLEM: The value of Rint is greater than 0.18
RESPONSE: As the single crystals of this compound were small, and there 
are large pores occupied by highly disordered guest molecules, the diffraction
spots were weak. Data reduction on the weak diffraction spots gave
relatively high Rint value.
;
_vrf_PLAT020_shelx
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.235 Report
RESPONSE: As the single crystals of this compound were small, and there 
are large pores occupied by highly disordered guest molecules, the diffraction
spots were weak. Data reduction on the weak diffraction spots gave
relatively high Rint value.
;
_vrf_PLAT342_shelx
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............       0.04 Ang.  
RESPONSE: Low bond precision on  C-C bonds should be resulted from 
the presence of large pores in the framework structure and the relatively 
low quality of the diffraction data.
;
# end Validation Reply Form


 
data_shelx 
  
_audit_creation_method            'SHELXL-2018/1' 
_shelx_SHELXL_version_number      '2018/1' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C83.50 H47.50 Eu6 F N3.50 O34.75' 
_chemical_formula_weight          2586.51 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Eu'  'Eu'  -8.9294  11.1857 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'F'  'F'   0.0727   0.0534 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       triclinic 
_space_group_IT_number            2 
_space_group_name_H-M_alt         'P -1' 
_space_group_name_Hall            '-P 1' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, -z' 
  
_cell_length_a                    18.8477(5) 
_cell_length_b                    19.1860(6) 
_cell_length_c                    25.9293(6) 
_cell_angle_alpha                 77.192(2) 
_cell_angle_beta                  82.391(2) 
_cell_angle_gamma                 61.252(3) 
_cell_volume                      8012.5(4) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     17274 
_cell_measurement_theta_min       3.5170 
_cell_measurement_theta_max       76.1090 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             'light colourless' 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     1.072 
_exptl_crystal_F_000              2476 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.050 
_exptl_crystal_size_mid           0.030 
_exptl_crystal_size_min           0.020 
_exptl_absorpt_coefficient_mu     16.954 
_shelx_estimated_absorpt_T_min    ? 
_shelx_estimated_absorpt_T_max    ? 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.49615 
_exptl_absorpt_correction_T_max   1.00000 
_exptl_absorpt_process_details     
; 
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
; 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_source                    'micro-focus sealed X-ray tube' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at home/near, AtlasS2' 
_diffrn_measurement_method        'ω scans' 
_diffrn_detector_area_resol_mean  10.3376 
_diffrn_reflns_number             97126 
_diffrn_reflns_av_unetI/netI      0.0902 
_diffrn_reflns_av_R_equivalents   0.0869 
_diffrn_reflns_limit_h_min        -23 
_diffrn_reflns_limit_h_max        23 
_diffrn_reflns_limit_k_min        -22 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -25 
_diffrn_reflns_limit_l_max        32 
_diffrn_reflns_theta_min          3.449 
_diffrn_reflns_theta_max          76.885 
_diffrn_reflns_theta_full         67.679 
_diffrn_measured_fraction_theta_max   0.982 
_diffrn_measured_fraction_theta_full  0.998 
_diffrn_reflns_Laue_measured_fraction_max    0.982 
_diffrn_reflns_Laue_measured_fraction_full   0.998 
_diffrn_reflns_point_group_measured_fraction_max   0.982 
_diffrn_reflns_point_group_measured_fraction_full  0.998 
_reflns_number_total              33243 
_reflns_number_gt                 22779 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_cell_refinement        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_data_reduction         'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)' 
_computing_structure_solution     ? 
_computing_structure_refinement 'SHELXL-2018/1 (Sheldrick, 2018)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
_refine_special_details           ? 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0928P)²] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          33243 
_refine_ls_number_parameters      1198 
_refine_ls_number_restraints      1354 
_refine_ls_R_factor_all           0.0858 
_refine_ls_R_factor_gt            0.0553 
_refine_ls_wR_factor_ref          0.1669 
_refine_ls_wR_factor_gt           0.1462 
_refine_ls_goodness_of_fit_ref    0.959 
_refine_ls_restrained_S_all       0.953 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Eu1 Eu 0.44543(3) 0.45896(3) 0.41744(2) 0.02978(10) Uani 1 1 d . U . . . 
Eu2 Eu 0.51149(3) 0.62437(3) 0.42826(2) 0.03024(10) Uani 1 1 d . U . . . 
Eu3 Eu 0.66162(3) 0.39352(3) 0.47613(2) 0.03462(10) Uani 1 1 d . U . . . 
Eu4 Eu 0.63307(2) 0.49834(2) 0.03641(2) 0.02494(9) Uani 1 1 d . U . . . 
Eu5 Eu 0.40199(2) 0.67079(2) 0.00532(2) 0.02679(9) Uani 1 1 d . U . . . 
Eu6 Eu 0.45363(2) 0.45926(2) 0.10179(2) 0.02303(9) Uani 1 1 d . U . . . 
N1 N 0.2922(4) 0.8810(4) 0.2069(2) 0.0374(14) Uani 1 1 d . U . . . 
N2 N 0.8742(3) 0.2800(4) 0.2500(2) 0.0329(13) Uani 1 1 d . U . . . 
N3 N 0.3229(8) 0.4577(9) 0.2713(5) 0.166(7) Uani 1 1 d D U . . . 
O1 O 0.4368(4) 0.5500(3) 0.33606(19) 0.0463(13) Uani 1 1 d . U . . . 
O2 O 0.4760(3) 0.6424(3) 0.34193(18) 0.0398(12) Uani 1 1 d . U . . . 
O3 O 0.3734(3) 0.5646(3) 0.14857(18) 0.0346(10) Uani 1 1 d . U . . . 
O4 O 0.3436(3) 0.6805(3) 0.09233(18) 0.0406(12) Uani 1 1 d . U . . . 
O5 O -0.2699(3) 1.2792(3) 0.0271(2) 0.0445(13) Uani 1 1 d . U . . . 
O6 O -0.2484(3) 1.3757(3) 0.0481(2) 0.0413(12) Uani 1 1 d . U . . . 
O7 O 0.4966(3) 1.3212(3) 0.13528(19) 0.0386(12) Uani 1 1 d . U . . . 
O8 O 0.5768(3) 1.2479(3) 0.07429(19) 0.0389(12) Uani 1 1 d . U . . . 
O9 O 0.5569(3) 0.3695(3) 0.37059(18) 0.0364(11) Uani 1 1 d . U . . . 
O10 O 0.6755(3) 0.3302(3) 0.40421(18) 0.0419(12) Uani 1 1 d . U . . . 
O11 O 0.5382(3) 0.4365(3) 0.17010(17) 0.0349(11) Uani 1 1 d . U . . . 
O12 O 0.6392(3) 0.4627(4) 0.13021(18) 0.0417(12) Uani 1 1 d . U . . . 
O13 O 1.2819(3) 0.4761(4) 0.03344(19) 0.0425(13) Uani 1 1 d . U . . . 
O14 O 1.3325(3) 0.4491(3) 0.11342(19) 0.0391(12) Uani 1 1 d . U . . . 
O15 O 1.3898(4) -0.2503(4) 0.4165(2) 0.0525(15) Uani 1 1 d . U . . . 
O16 O 1.2972(4) -0.2625(4) 0.4751(2) 0.0542(16) Uani 1 1 d . U . . . 
O17 O 0.4219(5) 0.3446(5) 0.4485(3) 0.0701(19) Uani 1 1 d . U . . . 
O18 O 0.3940(3) 0.4706(3) 0.50769(15) 0.0249(9) Uani 1 1 d . U . . . 
O19 O 0.4082(2) 0.5856(3) 0.44180(15) 0.0210(8) Uani 1 1 d . U . . . 
O20 O 0.5563(3) 0.4899(3) 0.41979(15) 0.0237(8) Uani 1 1 d . U . . . 
O21 O 0.4971(2) 0.5578(2) 0.06638(14) 0.0172(7) Uani 1 1 d . U . . . 
O22 O 0.5817(2) 0.4040(2) 0.06131(14) 0.0163(7) Uani 1 1 d . U . . . 
O23 O 0.4596(2) 0.4037(2) 0.02782(14) 0.0180(8) Uani 1 1 d . U . . . 
O24 O 0.3761(2) 0.5571(2) 0.03250(13) 0.0161(7) Uani 1 1 d . U . . . 
O25 O 0.4585(3) 0.6232(3) 0.51467(15) 0.0244(9) Uani 1 1 d . U . . . 
O26 O 0.7597(4) 0.3836(5) 0.5295(3) 0.069(2) Uani 1 1 d . U . . . 
O27 O 0.8121(8) 0.2911(10) 0.4553(6) 0.080(4) Uani 0.5 1 d D U P . . 
O28 O 0.3012(4) 0.5301(5) 0.4122(3) 0.072(2) Uani 1 1 d . U . . . 
O29 O 0.3996(4) 0.4244(4) 0.3446(2) 0.0611(16) Uani 1 1 d . U . . . 
O30 O 0.4799(4) 0.7214(4) 0.0378(2) 0.0534(14) Uani 1 1 d D U . . . 
O31 O 0.3151(4) 0.8145(4) 0.0120(2) 0.0579(16) Uani 1 1 d D U . . . 
O32 O 0.6380(4) 0.5922(5) 0.3822(3) 0.0691(18) Uani 1 1 d . U . . . 
O33 O 0.5486(5) 0.7128(5) 0.4538(4) 0.085(2) Uani 1 1 d . U . . . 
O34 O 0.7289(5) 0.4528(5) 0.4120(3) 0.0727(19) Uani 1 1 d . U . . . 
O35 O 0.6144(9) 0.6239(8) 0.0508(6) 0.055(3) Uani 0.5 1 d D U P A 1 
O36 O 0.6646(9) 0.5940(9) 0.0571(7) 0.061(3) Uani 0.5 1 d . U P A 2 
C1 C 0.4414(5) 0.6143(5) 0.3195(3) 0.0374(16) Uani 1 1 d . U . . . 
C2 C 0.4003(4) 0.6645(4) 0.2682(2) 0.0302(14) Uani 1 1 d . U . . . 
C3 C 0.3942(5) 0.6288(4) 0.2292(3) 0.0359(16) Uani 1 1 d . U . . . 
H3 H 0.413989 0.573116 0.234913 0.043 Uiso 1 1 calc R U . . . 
C4 C 0.3590(4) 0.6754(4) 0.1820(3) 0.0301(13) Uani 1 1 d . U . . . 
C5 C 0.3262(4) 0.7594(4) 0.1744(3) 0.0305(14) Uani 1 1 d . U . . . 
H5 H 0.302725 0.791066 0.142522 0.037 Uiso 1 1 calc R U . . . 
C6 C 0.3285(4) 0.7957(4) 0.2143(3) 0.0339(15) Uani 1 1 d . U . . . 
C7 C 0.3682(5) 0.7475(4) 0.2615(3) 0.0353(16) Uani 1 1 d . U . . . 
H7 H 0.372798 0.771209 0.287714 0.042 Uiso 1 1 calc R U . . . 
C8 C 0.3587(4) 0.6375(4) 0.1374(3) 0.0312(13) Uani 1 1 d . U . . . 
C9 C -0.2285(4) 1.3030(5) 0.0472(3) 0.0392(16) Uani 1 1 d . U . . . 
C10 C -0.1510(5) 1.2396(5) 0.0720(3) 0.0391(16) Uani 1 1 d . U . . . 
C11 C -0.1222(5) 1.1597(5) 0.0692(4) 0.051(2) Uani 1 1 d . U . . . 
H11 H -0.150287 1.144914 0.050687 0.061 Uiso 1 1 calc R U . . . 
C12 C -0.0507(5) 1.1004(5) 0.0942(4) 0.052(2) Uani 1 1 d . U . . . 
H12 H -0.031263 1.046704 0.091357 0.063 Uiso 1 1 calc R U . . . 
C13 C -0.0083(5) 1.1204(5) 0.1232(3) 0.0433(18) Uani 1 1 d . U . . . 
C14 C -0.0382(5) 1.2009(5) 0.1258(3) 0.0429(18) Uani 1 1 d . U . . . 
H14 H -0.010494 1.215594 0.144707 0.052 Uiso 1 1 calc R U . . . 
C15 C -0.1083(5) 1.2603(5) 0.1009(3) 0.0422(17) Uani 1 1 d . U . . . 
H15 H -0.127157 1.314059 0.103429 0.051 Uiso 1 1 calc R U . . . 
C16 C 0.0673(5) 1.0575(5) 0.1490(3) 0.0415(17) Uani 1 1 d . U . . . 
C17 C 0.0784(5) 0.9789(5) 0.1670(4) 0.048(2) Uani 1 1 d . U . . . 
H17 H 0.035475 0.968437 0.165284 0.058 Uiso 1 1 calc R U . . . 
C18 C 0.1509(5) 0.9156(5) 0.1873(4) 0.049(2) Uani 1 1 d . U . . . 
H18 H 0.157023 0.863601 0.198766 0.059 Uiso 1 1 calc R U . . . 
C19 C 0.2141(5) 0.9328(4) 0.1900(3) 0.0366(16) Uani 1 1 d . U . . . 
C20 C 0.2035(5) 1.0119(4) 0.1742(3) 0.0356(15) Uani 1 1 d . U . . . 
C21 C 0.1295(5) 1.0745(5) 0.1538(3) 0.0414(17) Uani 1 1 d . U . . . 
H21 H 0.122224 1.127112 0.143529 0.050 Uiso 1 1 calc R U . . . 
C22 C 0.5251(5) 1.2616(4) 0.1116(3) 0.0366(15) Uani 1 1 d . U . . . 
C23 C 0.4934(5) 1.2012(5) 0.1298(3) 0.0446(18) Uani 1 1 d . U . . . 
C24 C 0.4197(5) 1.2247(5) 0.1576(4) 0.051(2) Uani 1 1 d . U . . . 
H24 H 0.392623 1.276388 0.165682 0.062 Uiso 1 1 calc R U . . . 
C25 C 0.3848(5) 1.1732(5) 0.1740(4) 0.056(2) Uani 1 1 d . U . . . 
H25 H 0.335447 1.190140 0.192624 0.068 Uiso 1 1 calc R U . . . 
C26 C 0.4262(5) 1.0950(5) 0.1616(4) 0.055(2) Uani 1 1 d . U . . . 
C27 C 0.5017(6) 1.0715(6) 0.1341(4) 0.061(2) Uani 1 1 d . U . . . 
H27 H 0.530109 1.019471 0.126596 0.073 Uiso 1 1 calc R U . . . 
C28 C 0.5347(6) 1.1248(6) 0.1179(4) 0.060(2) Uani 1 1 d . U . . . 
H28 H 0.584158 1.108653 0.099369 0.072 Uiso 1 1 calc R U . . . 
C29 C 0.3928(5) 1.0377(5) 0.1762(4) 0.054(2) Uani 1 1 d . U . . . 
C30 C 0.3099(5) 1.0645(5) 0.1696(4) 0.050(2) Uani 1 1 d . U . . . 
H30 H 0.275281 1.118859 0.157738 0.060 Uiso 1 1 calc R U . . . 
C31 C 0.2807(5) 1.0080(5) 0.1812(3) 0.0421(18) Uani 1 1 d . U . . . 
C32 C 0.3339(5) 0.9263(4) 0.2006(3) 0.0409(17) Uani 1 1 d . U . . . 
C33 C 0.4141(5) 0.9002(5) 0.2096(4) 0.057(2) Uani 1 1 d . U . . . 
H33 H 0.448187 0.846526 0.223577 0.069 Uiso 1 1 calc R U . . . 
C34 C 0.4420(5) 0.9568(5) 0.1970(4) 0.059(2) Uani 1 1 d . U . . . 
H34 H 0.495975 0.940183 0.202640 0.071 Uiso 1 1 calc R U . . . 
C41 C 0.6306(4) 0.3490(4) 0.3673(3) 0.0338(15) Uani 1 1 d . U . . . 
C42 C 0.6684(4) 0.3494(4) 0.3120(3) 0.0280(13) Uani 1 1 d . U . . . 
C43 C 0.7517(4) 0.3151(4) 0.3067(2) 0.0301(14) Uani 1 1 d . U . . . 
H43 H 0.782983 0.291571 0.336637 0.036 Uiso 1 1 calc R U . . . 
C44 C 0.7897(4) 0.3156(5) 0.2558(3) 0.0323(14) Uani 1 1 d . U . . . 
C45 C 0.7408(4) 0.3557(5) 0.2109(3) 0.0316(15) Uani 1 1 d . U . . . 
H45 H 0.764517 0.357571 0.177167 0.038 Uiso 1 1 calc R U . . . 
C46 C 0.6578(4) 0.3918(4) 0.2175(2) 0.0296(14) Uani 1 1 d . U . . . 
C47 C 0.6208(4) 0.3847(5) 0.2678(2) 0.0311(14) Uani 1 1 d . U . . . 
H47 H 0.565110 0.403407 0.271338 0.037 Uiso 1 1 calc R U . . . 
C48 C 0.6057(4) 0.4343(5) 0.1690(3) 0.0320(14) Uani 1 1 d . U . . . 
C49 C 1.3196(5) -0.2284(5) 0.4340(3) 0.0432(17) Uani 1 1 d . U . . . 
C50 C 1.2526(5) -0.1523(5) 0.4046(3) 0.0449(18) Uani 1 1 d . U . . . 
C51 C 1.2670(5) -0.1107(5) 0.3579(3) 0.049(2) Uani 1 1 d . U . . . 
H51 H 1.319863 -0.128402 0.344496 0.059 Uiso 1 1 calc R U . . . 
C52 C 1.2045(5) -0.0423(5) 0.3296(3) 0.0469(19) Uani 1 1 d . U . . . 
H52 H 1.216160 -0.016028 0.297580 0.056 Uiso 1 1 calc R U . . . 
C53 C 1.1253(5) -0.0137(5) 0.3494(3) 0.049(2) Uani 1 1 d . U . . . 
C54 C 1.1110(6) -0.0554(6) 0.3974(4) 0.071(3) Uani 1 1 d . U . . . 
H54 H 1.058640 -0.037202 0.411835 0.085 Uiso 1 1 calc R U . . . 
C55 C 1.1738(6) -0.1235(7) 0.4237(4) 0.074(3) Uani 1 1 d . U . . . 
H55 H 1.162540 -0.150729 0.455461 0.088 Uiso 1 1 calc R U . . . 
C56 C 1.0575(5) 0.0619(5) 0.3216(3) 0.0437(18) Uani 1 1 d . U . . . 
C57 C 1.0721(4) 0.1233(5) 0.2912(3) 0.0435(18) Uani 1 1 d . U . . . 
H57 H 1.124382 0.117275 0.286679 0.052 Uiso 1 1 calc R U . . . 
C58 C 1.0086(4) 0.1931(5) 0.2678(3) 0.0364(15) Uani 1 1 d . U . . . 
C59 C 0.9285(4) 0.2041(5) 0.2767(3) 0.0371(16) Uani 1 1 d . U . . . 
C60 C 0.9134(5) 0.1412(5) 0.3060(4) 0.054(2) Uani 1 1 d . U . . . 
H60 H 0.861227 0.146875 0.310604 0.065 Uiso 1 1 calc R U . . . 
C61 C 0.9779(5) 0.0720(5) 0.3271(4) 0.054(2) Uani 1 1 d . U . . . 
H61 H 0.969159 0.029422 0.345977 0.065 Uiso 1 1 calc R U . . . 
C62 C 1.2816(4) 0.4542(5) 0.0836(3) 0.0330(15) Uani 1 1 d . U . . . 
C63 C 1.2154(5) 0.4359(5) 0.1081(3) 0.0370(16) Uani 1 1 d . U . . . 
C64 C 1.1499(5) 0.4552(6) 0.0801(3) 0.049(2) Uani 1 1 d . U . . . 
H64 H 1.144548 0.484053 0.045638 0.059 Uiso 1 1 calc R U . . . 
C65 C 1.0907(5) 0.4323(6) 0.1025(3) 0.052(2) Uani 1 1 d . U . . . 
H65 H 1.047268 0.444637 0.082489 0.063 Uiso 1 1 calc R U . . . 
C66 C 1.0965(5) 0.3910(5) 0.1545(3) 0.0418(17) Uani 1 1 d . U . . . 
C67 C 1.1611(5) 0.3746(5) 0.1826(3) 0.0398(17) Uani 1 1 d . U . . . 
H67 H 1.165737 0.347906 0.217599 0.048 Uiso 1 1 calc R U . . . 
C68 C 1.2192(5) 0.3969(5) 0.1601(3) 0.0411(17) Uani 1 1 d . U . . . 
H68 H 1.262037 0.385341 0.180307 0.049 Uiso 1 1 calc R U . . . 
C69 C 1.0354(4) 0.3652(5) 0.1781(3) 0.0374(16) Uani 1 1 d . U . . . 
C70 C 0.9517(4) 0.4150(5) 0.1685(3) 0.0422(18) Uani 1 1 d . U . . . 
H70 H 0.935694 0.464744 0.145947 0.051 Uiso 1 1 calc R U . . . 
C71 C 0.8933(4) 0.3935(5) 0.1906(3) 0.0393(17) Uani 1 1 d . U . . . 
H71 H 0.838634 0.427765 0.184265 0.047 Uiso 1 1 calc R U . . . 
C72 C 0.9196(4) 0.3181(5) 0.2228(3) 0.0320(14) Uani 1 1 d . U . . . 
C73 C 1.0016(4) 0.2666(5) 0.2337(3) 0.0335(15) Uani 1 1 d . U . . . 
C74 C 1.0598(4) 0.2913(5) 0.2113(3) 0.0368(16) Uani 1 1 d . U . . . 
H74 H 1.114210 0.258056 0.218705 0.044 Uiso 1 1 calc R U . . . 
C81 C 0.7092(7) 0.5224(9) 0.3831(4) 0.086(3) Uani 1 1 d D U . . . 
C82 C 0.7780(5) 0.5299(6) 0.3469(3) 0.095(3) Uani 1 1 d DG U . . . 
C83 C 0.7755(6) 0.6053(5) 0.3331(4) 0.119(4) Uani 1 1 d DG U . . . 
C84 C 0.8387(7) 0.6137(6) 0.3032(4) 0.143(5) Uani 1 1 d DG U . . . 
H84 H 0.837026 0.664178 0.293980 0.171 Uiso 1 1 calc R U . . . 
C85 C 0.9044(6) 0.5467(7) 0.2870(4) 0.144(5) Uani 1 1 d DG U . . . 
H85 H 0.946695 0.552366 0.266971 0.173 Uiso 1 1 calc R U . . . 
C86 C 0.9069(5) 0.4713(6) 0.3008(4) 0.128(4) Uani 1 1 d DG U . . . 
H86 H 0.950896 0.426513 0.289958 0.153 Uiso 1 1 calc R U . . . 
C87 C 0.8437(5) 0.4629(5) 0.3307(4) 0.098(3) Uani 1 1 d DG U . . . 
C89 C 0.3418(9) 0.4731(12) 0.3166(6) 0.140(6) Uani 1 1 d D U . . . 
H89 H 0.308508 0.523238 0.326092 0.168 Uiso 1 1 calc R U . . . 
C90 C 0.2516(10) 0.5177(11) 0.2433(6) 0.139(6) Uani 1 1 d D U . . . 
H90A H 0.221888 0.561083 0.262688 0.208 Uiso 1 1 calc R U . . . 
H90B H 0.266920 0.538233 0.208897 0.208 Uiso 1 1 calc R U . . . 
H90C H 0.218390 0.493792 0.239750 0.208 Uiso 1 1 calc R U . . . 
C91 C 0.3770(12) 0.3877(12) 0.2511(8) 0.166(7) Uani 1 1 d D U . . . 
H91A H 0.355061 0.386360 0.220186 0.250 Uiso 1 1 calc R U . . . 
H91B H 0.427908 0.387975 0.241929 0.250 Uiso 1 1 calc R U . . . 
H91C H 0.384997 0.340817 0.277432 0.250 Uiso 1 1 calc R U . . . 
C92 C 0.5566(8) 0.6990(11) 0.0387(9) 0.067(4) Uani 0.5 1 d D U P A 1 
N4 N 0.7176(11) 0.6813(10) 0.0075(6) 0.094(5) Uani 0.5 1 d D U P A 2 
C95 C 0.6955(19) 0.7612(17) -0.0375(11) 0.115(8) Uani 0.5 1 d D U P A 2 
H95A H 0.737888 0.776208 -0.040786 0.172 Uiso 0.5 1 calc R U P A 2 
H95B H 0.689814 0.750357 -0.070700 0.172 Uiso 0.5 1 calc R U P A 2 
H95C H 0.645474 0.804684 -0.027715 0.172 Uiso 0.5 1 calc R U P A 2 
C94 C 0.8000(18) 0.634(2) 0.0424(13) 0.139(9) Uani 0.5 1 d D U P A 2 
H94A H 0.832675 0.661058 0.031605 0.208 Uiso 0.5 1 calc R U P A 2 
H94B H 0.785265 0.634346 0.079304 0.208 Uiso 0.5 1 calc R U P A 2 
H94C H 0.830249 0.579247 0.036805 0.208 Uiso 0.5 1 calc R U P A 2 
C93 C 0.6632(15) 0.6495(14) 0.0184(10) 0.093(6) Uani 0.5 1 d D U P A 2 
H93 H 0.621258 0.670978 -0.005033 0.112 Uiso 0.5 1 calc R U P A 2 
F1 F 0.8507(9) 0.3936(10) 0.3418(7) 0.146(6) Uani 0.6 1 d D U P B 1 
F2 F 0.7204(15) 0.6667(13) 0.3511(10) 0.169(10) Uani 0.4 1 d D U P C 2 
C97 C 0.7611(9) 0.4101(10) 0.5687(6) 0.097(4) Uani 1 1 d . U . . . 
C96 C 0.4282(11) 0.2930(11) 0.4935(7) 0.118(5) Uani 1 1 d . U . . . 
O37 O 0.7624(15) 0.5025(16) 0.0698(10) 0.054(5) Uani 0.25 1 d . U P A 1 
C98 C 0.3204(17) 0.8748(12) 0.0104(10) 0.089(7) Uiso 0.5 1 d D U P D 1 
C99 C 0.2447(10) 0.8639(17) 0.0178(12) 0.104(9) Uiso 0.5 1 d D U P D 2 
C100 C 0.8803(13) 0.281(2) 0.4432(11) 0.102(9) Uiso 0.5 1 d D U P . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Eu1 O9 2.369(5) . ? 
Eu1 O17 2.392(7) . ? 
Eu1 O19 2.391(4) . ? 
Eu1 O1 2.390(5) . ? 
Eu1 O25 2.394(4) 2_666 ? 
Eu1 O28 2.391(7) . ? 
Eu1 O18 2.427(4) . ? 
Eu1 O20 2.443(4) . ? 
Eu1 O29 2.507(6) . ? 
Eu1 Eu2 3.9987(6) . ? 
Eu1 Eu2 3.9997(5) 2_666 ? 
Eu1 Eu3 4.0239(6) 2_666 ? 
Eu2 O2 2.326(4) . ? 
Eu2 O25 2.329(4) . ? 
Eu2 O20 2.350(4) . ? 
Eu2 O33 2.360(7) . ? 
Eu2 O19 2.359(4) . ? 
Eu2 O18 2.360(4) 2_666 ? 
Eu2 O32 2.376(7) . ? 
Eu2 O15 2.386(6) 1_465 ? 
Eu2 Eu3 3.9328(6) 2_666 ? 
Eu2 Eu3 3.9500(6) . ? 
Eu3 O16 2.344(6) 2_756 ? 
Eu3 O20 2.352(4) . ? 
Eu3 O19 2.356(4) 2_666 ? 
Eu3 O10 2.365(5) . ? 
Eu3 O26 2.364(6) . ? 
Eu3 O34 2.379(7) . ? 
Eu3 O25 2.409(4) 2_666 ? 
Eu3 O18 2.410(5) 2_666 ? 
Eu3 O27 2.627(14) . ? 
Eu4 O6 2.330(5) 1_645 ? 
Eu4 O24 2.336(3) 2_665 ? 
Eu4 O21 2.351(4) . ? 
Eu4 O23 2.363(4) 2_665 ? 
Eu4 O36 2.361(12) . ? 
Eu4 O22 2.374(4) . ? 
Eu4 O35 2.370(12) . ? 
Eu4 O12 2.379(5) . ? 
Eu4 O13 2.384(5) 2_765 ? 
Eu4 O37 2.73(2) . ? 
Eu4 C93 3.14(2) . ? 
Eu4 Eu6 3.8927(5) 2_665 ? 
Eu5 O22 2.381(4) 2_665 ? 
Eu5 O4 2.381(5) . ? 
Eu5 O5 2.393(5) 2_575 ? 
Eu5 O24 2.396(4) . ? 
Eu5 O8 2.411(5) 2_675 ? 
Eu5 O30 2.423(6) . ? 
Eu5 O21 2.431(4) . ? 
Eu5 O23 2.439(4) 2_665 ? 
Eu5 O31 2.472(6) . ? 
Eu5 Eu6 3.9855(6) 2_665 ? 
Eu5 Eu6 4.0024(5) . ? 
Eu6 O22 2.327(4) . ? 
Eu6 O24 2.334(3) . ? 
Eu6 O3 2.346(5) . ? 
Eu6 O7 2.351(5) 1_545 ? 
Eu6 O23 2.358(4) . ? 
Eu6 O14 2.358(5) 1_455 ? 
Eu6 O11 2.367(4) . ? 
Eu6 O21 2.367(4) . ? 
N1 C19 1.384(9) . ? 
N1 C32 1.399(10) . ? 
N1 C6 1.416(9) . ? 
N2 C44 1.400(9) . ? 
N2 C59 1.400(9) . ? 
N2 C72 1.406(9) . ? 
N3 C91 1.404(15) . ? 
N3 C89 1.398(17) . ? 
N3 C90 1.434(15) . ? 
O1 C1 1.253(9) . ? 
O2 C1 1.277(9) . ? 
O3 C8 1.260(9) . ? 
O4 C8 1.250(8) . ? 
O5 C9 1.281(10) . ? 
O6 C9 1.264(10) . ? 
O7 C22 1.267(9) . ? 
O8 C22 1.255(9) . ? 
O9 C41 1.246(9) . ? 
O10 C41 1.235(8) . ? 
O11 C48 1.249(8) . ? 
O12 C48 1.276(9) . ? 
O13 C62 1.274(8) . ? 
O14 C62 1.265(8) . ? 
O15 C49 1.234(10) . ? 
O16 C49 1.257(10) . ? 
O17 C96 1.329(17) . ? 
O26 C97 1.242(13) . ? 
O27 C100 1.213(14) . ? 
O28 C97 1.321(15) 2_666 ? 
O29 C89 1.232(15) . ? 
O30 C92 1.297(15) . ? 
O31 C98 1.200(13) . ? 
O31 C99 1.217(13) . ? 
O32 C81 1.364(15) . ? 
O33 C96 1.454(17) 2_666 ? 
O34 C81 1.278(15) . ? 
O35 C92 1.319(16) . ? 
O36 C93 1.29(3) . ? 
C1 C2 1.510(9) . ? 
C2 C3 1.385(9) . ? 
C2 C7 1.383(9) . ? 
C3 C4 1.378(9) . ? 
C3 H3 0.9300 . ? 
C4 C5 1.398(9) . ? 
C4 C8 1.497(9) . ? 
C5 C6 1.383(10) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.411(9) . ? 
C7 H7 0.9300 . ? 
C9 C10 1.489(10) . ? 
C10 C11 1.375(12) . ? 
C10 C15 1.403(11) . ? 
C11 C12 1.399(11) . ? 
C11 H11 0.9300 . ? 
C12 C13 1.392(11) . ? 
C12 H12 0.9300 . ? 
C13 C14 1.380(11) . ? 
C13 C16 1.474(10) . ? 
C14 C15 1.382(10) . ? 
C14 H14 0.9300 . ? 
C15 H15 0.9300 . ? 
C16 C21 1.386(11) . ? 
C16 C17 1.394(11) . ? 
C17 C18 1.390(11) . ? 
C17 H17 0.9300 . ? 
C18 C19 1.395(11) . ? 
C18 H18 0.9300 . ? 
C19 C20 1.401(10) . ? 
C20 C21 1.405(10) . ? 
C20 C31 1.454(10) . ? 
C21 H21 0.9300 . ? 
C22 C23 1.505(10) . ? 
C23 C28 1.374(12) . ? 
C23 C24 1.391(12) . ? 
C24 C25 1.397(11) . ? 
C24 H24 0.9300 . ? 
C25 C26 1.408(13) . ? 
C25 H25 0.9300 . ? 
C26 C27 1.411(13) . ? 
C26 C29 1.472(11) . ? 
C27 C28 1.402(12) . ? 
C27 H27 0.9300 . ? 
C28 H28 0.9300 . ? 
C29 C34 1.391(12) . ? 
C29 C30 1.412(12) . ? 
C30 C31 1.397(11) . ? 
C30 H30 0.9300 . ? 
C31 C32 1.410(10) . ? 
C32 C33 1.380(11) . ? 
C33 C34 1.382(12) . ? 
C33 H33 0.9300 . ? 
C34 H34 0.9300 . ? 
C41 C42 1.515(9) . ? 
C42 C43 1.381(9) . ? 
C42 C47 1.386(9) . ? 
C43 C44 1.415(9) . ? 
C43 H43 0.9300 . ? 
C44 C45 1.415(9) . ? 
C45 C46 1.375(10) . ? 
C45 H45 0.9300 . ? 
C46 C47 1.407(9) . ? 
C46 C48 1.520(8) . ? 
C47 H47 0.9300 . ? 
C49 C50 1.515(10) . ? 
C50 C51 1.367(11) . ? 
C50 C55 1.376(13) . ? 
C51 C52 1.400(11) . ? 
C51 H51 0.9300 . ? 
C52 C53 1.388(12) . ? 
C52 H52 0.9300 . ? 
C53 C54 1.392(12) . ? 
C53 C56 1.501(11) . ? 
C54 C55 1.381(12) . ? 
C54 H54 0.9300 . ? 
C55 H55 0.9300 . ? 
C56 C57 1.389(11) . ? 
C56 C61 1.409(11) . ? 
C57 C58 1.372(10) . ? 
C57 H57 0.9300 . ? 
C58 C59 1.413(10) . ? 
C58 C73 1.444(10) . ? 
C59 C60 1.406(11) . ? 
C60 C61 1.358(11) . ? 
C60 H60 0.9300 . ? 
C61 H61 0.9300 . ? 
C62 C63 1.484(9) . ? 
C63 C64 1.366(11) . ? 
C63 C68 1.382(10) . ? 
C64 C65 1.402(11) . ? 
C64 H64 0.9300 . ? 
C65 C66 1.392(10) . ? 
C65 H65 0.9300 . ? 
C66 C67 1.370(10) . ? 
C66 C69 1.475(10) . ? 
C67 C68 1.376(10) . ? 
C67 H67 0.9300 . ? 
C68 H68 0.9300 . ? 
C69 C74 1.378(10) . ? 
C69 C70 1.419(10) . ? 
C70 C71 1.370(10) . ? 
C70 H70 0.9300 . ? 
C71 C72 1.386(10) . ? 
C71 H71 0.9300 . ? 
C72 C73 1.403(9) . ? 
C73 C74 1.405(10) . ? 
C74 H74 0.9300 . ? 
C81 C82 1.544(11) . ? 
C82 C83 1.3900 . ? 
C82 C87 1.3900 . ? 
C83 F2 1.274(18) . ? 
C83 C84 1.3900 . ? 
C84 C85 1.3900 . ? 
C84 H84 0.9300 . ? 
C85 C86 1.3900 . ? 
C85 H85 0.9300 . ? 
C86 C87 1.3900 . ? 
C86 H86 0.9300 . ? 
C87 F1 1.243(15) . ? 
C89 H89 0.9300 . ? 
C90 H90A 0.9600 . ? 
C90 H90B 0.9600 . ? 
C90 H90C 0.9600 . ? 
C91 H91A 0.9600 . ? 
C91 H91B 0.9600 . ? 
C91 H91C 0.9600 . ? 
N4 C93 1.40(3) . ? 
N4 C95 1.61(3) . ? 
N4 C94 1.65(3) . ? 
C95 H95A 0.9600 . ? 
C95 H95B 0.9600 . ? 
C95 H95C 0.9600 . ? 
C94 H94A 0.9600 . ? 
C94 H94B 0.9600 . ? 
C94 H94C 0.9600 . ? 
C93 H93 0.9300 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O9 Eu1 O17 84.1(2) . . ? 
O9 Eu1 O19 134.67(16) . . ? 
O17 Eu1 O19 138.4(2) . . ? 
O9 Eu1 O1 80.90(19) . . ? 
O17 Eu1 O1 137.5(2) . . ? 
O19 Eu1 O1 74.41(16) . . ? 
O9 Eu1 O25 77.42(16) . 2_666 ? 
O17 Eu1 O25 75.3(2) . 2_666 ? 
O19 Eu1 O25 96.26(14) . 2_666 ? 
O1 Eu1 O25 137.83(18) . 2_666 ? 
O9 Eu1 O28 137.6(2) . . ? 
O17 Eu1 O28 82.9(3) . . ? 
O19 Eu1 O28 75.8(2) . . ? 
O1 Eu1 O28 82.0(3) . . ? 
O25 Eu1 O28 136.5(2) 2_666 . ? 
O9 Eu1 O18 139.64(16) . . ? 
O17 Eu1 O18 75.4(2) . . ? 
O19 Eu1 O18 64.61(14) . . ? 
O1 Eu1 O18 136.38(17) . . ? 
O25 Eu1 O18 64.00(14) 2_666 . ? 
O28 Eu1 O18 74.29(19) . . ? 
O9 Eu1 O20 73.23(16) . . ? 
O17 Eu1 O20 136.2(2) . . ? 
O19 Eu1 O20 64.21(14) . . ? 
O1 Eu1 O20 75.72(17) . . ? 
O25 Eu1 O20 63.59(14) 2_666 . ? 
O28 Eu1 O20 138.0(2) . . ? 
O18 Eu1 O20 98.25(14) . . ? 
O9 Eu1 O29 68.6(2) . . ? 
O17 Eu1 O29 68.6(2) . . ? 
O19 Eu1 O29 131.70(19) . . ? 
O1 Eu1 O29 69.0(2) . . ? 
O25 Eu1 O29 132.04(19) 2_666 . ? 
O28 Eu1 O29 69.1(2) . . ? 
O18 Eu1 O29 130.80(19) . . ? 
O20 Eu1 O29 130.95(19) . . ? 
O9 Eu1 Eu2 102.66(13) . . ? 
O17 Eu1 Eu2 156.00(17) . . ? 
O19 Eu1 Eu2 32.42(10) . . ? 
O1 Eu1 Eu2 66.45(13) . . ? 
O25 Eu1 Eu2 83.61(11) 2_666 . ? 
O28 Eu1 Eu2 105.5(2) . . ? 
O18 Eu1 Eu2 85.11(11) . . ? 
O20 Eu1 Eu2 32.74(10) . . ? 
O29 Eu1 Eu2 135.38(16) . . ? 
O9 Eu1 Eu2 107.23(12) . 2_666 ? 
O17 Eu1 Eu2 68.71(17) . 2_666 ? 
O19 Eu1 Eu2 82.86(9) . 2_666 ? 
O1 Eu1 Eu2 153.76(13) . 2_666 ? 
O25 Eu1 Eu2 31.64(10) 2_666 2_666 ? 
O28 Eu1 Eu2 105.17(17) . 2_666 ? 
O18 Eu1 Eu2 32.81(10) . 2_666 ? 
O20 Eu1 Eu2 82.74(9) . 2_666 ? 
O29 Eu1 Eu2 137.29(16) . 2_666 ? 
Eu2 Eu1 Eu2 87.324(11) . 2_666 ? 
O9 Eu1 Eu3 155.03(13) . 2_666 ? 
O17 Eu1 Eu3 106.80(18) . 2_666 ? 
O19 Eu1 Eu3 31.77(10) . 2_666 ? 
O1 Eu1 Eu3 103.33(14) . 2_666 ? 
O25 Eu1 Eu3 83.62(10) 2_666 2_666 ? 
O28 Eu1 Eu3 67.10(16) . 2_666 ? 
O18 Eu1 Eu3 33.56(11) . 2_666 ? 
O20 Eu1 Eu3 83.87(10) . 2_666 ? 
O29 Eu1 Eu3 136.14(17) . 2_666 ? 
Eu2 Eu1 Eu3 58.708(11) . 2_666 ? 
Eu2 Eu1 Eu3 58.982(10) 2_666 2_666 ? 
O2 Eu2 O25 141.38(18) . . ? 
O2 Eu2 O20 79.05(16) . . ? 
O25 Eu2 O20 101.03(15) . . ? 
O2 Eu2 O33 121.3(3) . . ? 
O25 Eu2 O33 80.8(2) . . ? 
O20 Eu2 O33 144.6(2) . . ? 
O2 Eu2 O19 78.24(17) . . ? 
O25 Eu2 O19 67.17(14) . . ? 
O20 Eu2 O19 66.12(15) . . ? 
O33 Eu2 O19 141.3(2) . . ? 
O2 Eu2 O18 141.57(17) . 2_666 ? 
O25 Eu2 O18 66.02(15) . 2_666 ? 
O20 Eu2 O18 67.03(15) . 2_666 ? 
O33 Eu2 O18 82.2(3) . 2_666 ? 
O19 Eu2 O18 102.65(15) . 2_666 ? 
O2 Eu2 O32 78.8(2) . . ? 
O25 Eu2 O32 139.47(19) . . ? 
O20 Eu2 O32 77.9(2) . . ? 
O33 Eu2 O32 78.4(3) . . ? 
O19 Eu2 O32 140.2(2) . . ? 
O18 Eu2 O32 76.9(2) 2_666 . ? 
O2 Eu2 O15 75.6(2) . 1_465 ? 
O25 Eu2 O15 79.84(18) . 1_465 ? 
O20 Eu2 O15 137.93(19) . 1_465 ? 
O33 Eu2 O15 77.5(3) . 1_465 ? 
O19 Eu2 O15 76.15(19) . 1_465 ? 
O18 Eu2 O15 142.56(18) 2_666 1_465 ? 
O32 Eu2 O15 127.9(2) . 1_465 ? 
O2 Eu2 Eu3 107.88(14) . 2_666 ? 
O25 Eu2 Eu3 34.56(11) . 2_666 ? 
O20 Eu2 Eu3 87.11(11) . 2_666 ? 
O33 Eu2 Eu3 110.0(2) . 2_666 ? 
O19 Eu2 Eu3 33.45(9) . 2_666 ? 
O18 Eu2 Eu3 88.54(10) 2_666 2_666 ? 
O32 Eu2 Eu3 162.3(2) . 2_666 ? 
O15 Eu2 Eu3 69.85(15) 1_465 2_666 ? 
O2 Eu2 Eu3 108.82(14) . . ? 
O25 Eu2 Eu3 86.13(11) . . ? 
O20 Eu2 Eu3 32.88(10) . . ? 
O33 Eu2 Eu3 113.5(2) . . ? 
O19 Eu2 Eu3 86.18(10) . . ? 
O18 Eu2 Eu3 34.51(11) 2_666 . ? 
O32 Eu2 Eu3 71.2(2) . . ? 
O15 Eu2 Eu3 160.65(16) 1_465 . ? 
Eu3 Eu2 Eu3 91.062(13) 2_666 . ? 
O2 Eu2 Eu1 70.36(13) . . ? 
O25 Eu2 Eu1 88.04(11) . . ? 
O20 Eu2 Eu1 34.19(11) . . ? 
O33 Eu2 Eu1 168.0(2) . . ? 
O19 Eu2 Eu1 32.90(10) . . ? 
O18 Eu2 Eu1 89.52(11) 2_666 . ? 
O32 Eu2 Eu1 108.14(19) . . ? 
O15 Eu2 Eu1 104.76(16) 1_465 . ? 
Eu3 Eu2 Eu1 60.966(11) 2_666 . ? 
Eu3 Eu2 Eu1 61.192(11) . . ? 
O2 Eu2 Eu1 163.03(13) . 2_666 ? 
O25 Eu2 Eu1 32.63(10) . 2_666 ? 
O20 Eu2 Eu1 87.02(10) . 2_666 ? 
O33 Eu2 Eu1 75.6(2) . 2_666 ? 
O19 Eu2 Eu1 87.32(9) . 2_666 ? 
O18 Eu2 Eu1 33.85(10) 2_666 2_666 ? 
O32 Eu2 Eu1 107.87(17) . 2_666 ? 
O15 Eu2 Eu1 109.78(14) 1_465 2_666 ? 
Eu3 Eu2 Eu1 61.328(10) 2_666 2_666 ? 
Eu3 Eu2 Eu1 60.817(10) . 2_666 ? 
Eu1 Eu2 Eu1 92.675(11) . 2_666 ? 
O16 Eu3 O20 138.0(2) 2_756 . ? 
O16 Eu3 O19 76.12(18) 2_756 2_666 ? 
O20 Eu3 O19 99.04(14) . 2_666 ? 
O16 Eu3 O10 82.9(2) 2_756 . ? 
O20 Eu3 O10 75.21(16) . . ? 
O19 Eu3 O10 140.85(18) 2_666 . ? 
O16 Eu3 O26 79.8(3) 2_756 . ? 
O20 Eu3 O26 140.8(2) . . ? 
O19 Eu3 O26 77.3(2) 2_666 . ? 
O10 Eu3 O26 131.1(2) . . ? 
O16 Eu3 O34 133.0(3) 2_756 . ? 
O20 Eu3 O34 77.6(2) . . ? 
O19 Eu3 O34 138.4(2) 2_666 . ? 
O10 Eu3 O34 79.2(2) . . ? 
O26 Eu3 O34 80.1(3) . . ? 
O16 Eu3 O25 75.73(19) 2_756 2_666 ? 
O20 Eu3 O25 64.70(15) . 2_666 ? 
O19 Eu3 O25 65.94(14) 2_666 2_666 ? 
O10 Eu3 O25 77.10(17) . 2_666 ? 
O26 Eu3 O25 139.6(2) . 2_666 ? 
O34 Eu3 O25 139.4(2) . 2_666 ? 
O16 Eu3 O18 138.51(17) 2_756 2_666 ? 
O20 Eu3 O18 66.20(14) . 2_666 ? 
O19 Eu3 O18 65.38(14) 2_666 2_666 ? 
O10 Eu3 O18 137.47(16) . 2_666 ? 
O26 Eu3 O18 77.3(2) . 2_666 ? 
O34 Eu3 O18 75.9(2) . 2_666 ? 
O25 Eu3 O18 100.80(15) 2_666 2_666 ? 
O16 Eu3 O27 66.4(4) 2_756 . ? 
O20 Eu3 O27 131.2(3) . . ? 
O19 Eu3 O27 129.8(3) 2_666 . ? 
O10 Eu3 O27 66.6(4) . . ? 
O26 Eu3 O27 64.5(4) . . ? 
O34 Eu3 O27 66.6(5) . . ? 
O25 Eu3 O27 129.6(4) 2_666 . ? 
O18 Eu3 O27 129.6(4) 2_666 . ? 
O16 Eu3 Eu2 67.60(15) 2_756 2_666 ? 
O20 Eu3 Eu2 85.33(11) . 2_666 ? 
O19 Eu3 Eu2 33.50(10) 2_666 2_666 ? 
O10 Eu3 Eu2 107.70(15) . 2_666 ? 
O26 Eu3 Eu2 107.17(18) . 2_666 ? 
O34 Eu3 Eu2 159.4(2) . 2_666 ? 
O25 Eu3 Eu2 33.26(9) 2_666 2_666 ? 
O18 Eu3 Eu2 86.82(10) 2_666 2_666 ? 
O27 Eu3 Eu2 134.0(4) . 2_666 ? 
O16 Eu3 Eu2 156.54(15) 2_756 . ? 
O20 Eu3 Eu2 32.85(10) . . ? 
O19 Eu3 Eu2 84.40(10) 2_666 . ? 
O10 Eu3 Eu2 105.12(12) . . ? 
O26 Eu3 Eu2 108.76(19) . . ? 
O34 Eu3 Eu2 70.5(2) . . ? 
O25 Eu3 Eu2 84.52(10) 2_666 . ? 
O18 Eu3 Eu2 33.70(9) 2_666 . ? 
O27 Eu3 Eu2 137.1(4) . . ? 
Eu2 Eu3 Eu2 88.939(13) 2_666 . ? 
O16 Eu3 Eu1 105.35(14) 2_756 2_666 ? 
O20 Eu3 Eu1 86.42(10) . 2_666 ? 
O19 Eu3 Eu1 32.29(10) 2_666 2_666 ? 
O10 Eu3 Eu1 159.22(13) . 2_666 ? 
O26 Eu3 Eu1 69.65(17) . 2_666 ? 
O34 Eu3 Eu1 106.65(19) . 2_666 ? 
O25 Eu3 Eu1 86.39(10) 2_666 2_666 ? 
O18 Eu3 Eu1 33.83(10) 2_666 2_666 ? 
O27 Eu3 Eu1 134.2(3) . 2_666 ? 
Eu2 Eu3 Eu1 60.324(11) 2_666 2_666 ? 
Eu2 Eu3 Eu1 60.201(10) . 2_666 ? 
O6 Eu4 O24 79.92(16) 1_645 2_665 ? 
O6 Eu4 O21 140.90(16) 1_645 . ? 
O24 Eu4 O21 100.35(13) 2_665 . ? 
O6 Eu4 O23 143.11(16) 1_645 2_665 ? 
O24 Eu4 O23 67.46(13) 2_665 2_665 ? 
O21 Eu4 O23 65.09(13) . 2_665 ? 
O6 Eu4 O36 105.8(4) 1_645 . ? 
O24 Eu4 O36 144.3(4) 2_665 . ? 
O21 Eu4 O36 96.4(4) . . ? 
O23 Eu4 O36 92.0(4) 2_665 . ? 
O6 Eu4 O22 78.14(17) 1_645 . ? 
O24 Eu4 O22 64.74(13) 2_665 . ? 
O21 Eu4 O22 67.32(13) . . ? 
O23 Eu4 O22 101.73(13) 2_665 . ? 
O36 Eu4 O22 150.8(4) . . ? 
O6 Eu4 O35 126.6(4) 1_645 . ? 
O24 Eu4 O35 138.7(4) 2_665 . ? 
O21 Eu4 O35 78.4(4) . . ? 
O23 Eu4 O35 75.1(4) 2_665 . ? 
O22 Eu4 O35 142.7(4) . . ? 
O6 Eu4 O12 78.03(19) 1_645 . ? 
O24 Eu4 O12 136.43(17) 2_665 . ? 
O21 Eu4 O12 75.47(15) . . ? 
O23 Eu4 O12 138.08(17) 2_665 . ? 
O36 Eu4 O12 78.4(4) . . ? 
O22 Eu4 O12 74.19(16) . . ? 
O35 Eu4 O12 83.8(4) . . ? 
O6 Eu4 O13 78.6(2) 1_645 2_765 ? 
O24 Eu4 O13 74.69(16) 2_665 2_765 ? 
O21 Eu4 O13 139.72(16) . 2_765 ? 
O23 Eu4 O13 76.61(16) 2_665 2_765 ? 
O22 Eu4 O13 135.94(17) . 2_765 ? 
O35 Eu4 O13 80.3(4) . 2_765 ? 
O12 Eu4 O13 135.25(17) . 2_765 ? 
O6 Eu4 O37 64.4(6) 1_645 . ? 
O24 Eu4 O37 130.4(5) 2_665 . ? 
O21 Eu4 O37 129.1(5) . . ? 
O23 Eu4 O37 126.3(6) 2_665 . ? 
O22 Eu4 O37 132.0(6) . . ? 
O35 Eu4 O37 62.3(7) . . ? 
O12 Eu4 O37 69.8(5) . . ? 
O13 Eu4 O37 65.8(5) 2_765 . ? 
O6 Eu4 C93 113.3(5) 1_645 . ? 
O24 Eu4 C93 123.4(5) 2_665 . ? 
O21 Eu4 C93 99.2(5) . . ? 
O23 Eu4 C93 74.1(5) 2_665 . ? 
O36 Eu4 C93 21.6(6) . . ? 
O22 Eu4 C93 166.1(4) . . ? 
O12 Eu4 C93 99.8(5) . . ? 
O13 Eu4 C93 56.8(5) 2_765 . ? 
O6 Eu4 Eu6 110.19(13) 1_645 2_665 ? 
O24 Eu4 Eu6 33.52(9) 2_665 2_665 ? 
O21 Eu4 Eu6 85.52(9) . 2_665 ? 
O23 Eu4 Eu6 34.42(9) 2_665 2_665 ? 
O22 Eu4 Eu6 85.57(9) . 2_665 ? 
O35 Eu4 Eu6 106.3(4) . 2_665 ? 
O12 Eu4 Eu6 156.29(13) . 2_665 ? 
O13 Eu4 Eu6 68.33(12) 2_765 2_665 ? 
O37 Eu4 Eu6 133.9(5) . 2_665 ? 
O22 Eu5 O4 137.23(17) 2_665 . ? 
O22 Eu5 O5 73.60(16) 2_665 2_575 ? 
O4 Eu5 O5 88.86(18) . 2_575 ? 
O22 Eu5 O24 63.71(12) 2_665 . ? 
O4 Eu5 O24 74.54(17) . . ? 
O5 Eu5 O24 76.96(17) 2_575 . ? 
O22 Eu5 O8 77.03(15) 2_665 2_675 ? 
O4 Eu5 O8 141.34(18) . 2_675 ? 
O5 Eu5 O8 85.42(19) 2_575 2_675 ? 
O24 Eu5 O8 140.03(15) . 2_675 ? 
O22 Eu5 O30 136.85(18) 2_665 . ? 
O4 Eu5 O30 80.8(2) . . ? 
O5 Eu5 O30 138.8(2) 2_575 . ? 
O24 Eu5 O30 136.07(17) . . ? 
O8 Eu5 O30 78.7(2) 2_675 . ? 
O22 Eu5 O21 96.44(13) 2_665 . ? 
O4 Eu5 O21 72.00(15) . . ? 
O5 Eu5 O21 139.61(17) 2_575 . ? 
O24 Eu5 O21 63.92(12) . . ? 
O8 Eu5 O21 131.38(16) 2_675 . ? 
O30 Eu5 O21 74.16(18) . . ? 
O22 Eu5 O23 64.36(13) 2_665 2_665 ? 
O4 Eu5 O23 132.61(15) . 2_665 ? 
O5 Eu5 O23 135.32(15) 2_575 2_665 ? 
O24 Eu5 O23 96.59(13) . 2_665 ? 
O8 Eu5 O23 71.48(16) 2_675 2_665 ? 
O30 Eu5 O23 74.31(18) . 2_665 ? 
O21 Eu5 O23 62.75(12) . 2_665 ? 
O22 Eu5 O31 132.16(17) 2_665 . ? 
O4 Eu5 O31 70.4(2) . . ? 
O5 Eu5 O31 68.5(2) 2_575 . ? 
O24 Eu5 O31 130.4(2) . . ? 
O8 Eu5 O31 72.0(2) 2_675 . ? 
O30 Eu5 O31 70.4(2) . . ? 
O21 Eu5 O31 131.38(17) . . ? 
O23 Eu5 O31 133.0(2) 2_665 . ? 
O22 Eu5 Eu6 31.76(9) 2_665 2_665 ? 
O4 Eu5 Eu6 151.10(13) . 2_665 ? 
O5 Eu5 Eu6 102.72(13) 2_575 2_665 ? 
O24 Eu5 Eu6 82.33(9) . 2_665 ? 
O8 Eu5 Eu6 66.83(13) 2_675 2_665 ? 
O30 Eu5 Eu6 105.38(16) . 2_665 ? 
O21 Eu5 Eu6 82.45(9) . 2_665 ? 
O23 Eu5 Eu6 33.18(8) 2_665 2_665 ? 
O31 Eu5 Eu6 138.48(15) . 2_665 ? 
O22 Eu5 Eu4 32.82(9) 2_665 2_665 ? 
O4 Eu5 Eu4 104.42(14) . 2_665 ? 
O5 Eu5 Eu4 66.38(14) 2_575 2_665 ? 
O24 Eu5 Eu4 31.99(8) . 2_665 ? 
O8 Eu5 Eu4 108.04(12) 2_675 2_665 ? 
O30 Eu5 Eu4 154.83(15) . 2_665 ? 
O21 Eu5 Eu4 83.98(9) . 2_665 ? 
O23 Eu5 Eu4 84.76(9) 2_665 2_665 ? 
O31 Eu5 Eu4 134.68(17) . 2_665 ? 
Eu6 Eu5 Eu4 58.567(9) 2_665 2_665 ? 
O22 Eu5 Eu6 82.98(9) 2_665 . ? 
O4 Eu5 Eu6 64.84(13) . . ? 
O5 Eu5 Eu6 106.73(15) 2_575 . ? 
O24 Eu5 Eu6 31.74(8) . . ? 
O8 Eu5 Eu6 152.65(13) 2_675 . ? 
O30 Eu5 Eu6 104.58(15) . . ? 
O21 Eu5 Eu6 32.98(9) . . ? 
O23 Eu5 Eu6 83.16(9) 2_665 . ? 
O31 Eu5 Eu6 135.11(15) . . ? 
Eu6 Eu5 Eu6 86.382(11) 2_665 . ? 
Eu4 Eu5 Eu6 58.266(9) 2_665 . ? 
O22 Eu6 O24 101.61(13) . . ? 
O22 Eu6 O3 138.80(15) . . ? 
O24 Eu6 O3 80.92(15) . . ? 
O22 Eu6 O7 80.09(17) . 1_545 ? 
O24 Eu6 O7 137.83(15) . 1_545 ? 
O3 Eu6 O7 125.17(18) . 1_545 ? 
O22 Eu6 O23 66.46(13) . . ? 
O24 Eu6 O23 67.56(13) . . ? 
O3 Eu6 O23 144.61(15) . . ? 
O7 Eu6 O23 75.17(15) 1_545 . ? 
O22 Eu6 O14 141.50(16) . 1_455 ? 
O24 Eu6 O14 77.50(16) . 1_455 ? 
O3 Eu6 O14 79.56(18) . 1_455 ? 
O7 Eu6 O14 76.25(19) 1_545 1_455 ? 
O23 Eu6 O14 78.30(16) . 1_455 ? 
O22 Eu6 O11 77.83(15) . . ? 
O24 Eu6 O11 142.70(16) . . ? 
O3 Eu6 O11 76.47(18) . . ? 
O7 Eu6 O11 79.30(18) 1_545 . ? 
O23 Eu6 O11 138.85(16) . . ? 
O14 Eu6 O11 125.83(16) 1_455 . ? 
O22 Eu6 O21 67.80(13) . . ? 
O24 Eu6 O21 65.85(13) . . ? 
O3 Eu6 O21 76.45(16) . . ? 
O7 Eu6 O21 144.80(16) 1_545 . ? 
O23 Eu6 O21 103.32(13) . . ? 
O14 Eu6 O21 138.64(16) 1_455 . ? 
O11 Eu6 O21 80.14(15) . . ? 
O22 Eu6 Eu4 87.04(9) . 2_665 ? 
O24 Eu6 Eu4 33.55(9) . 2_665 ? 
O3 Eu6 Eu4 111.47(12) . 2_665 ? 
O7 Eu6 Eu4 105.86(12) 1_545 2_665 ? 
O23 Eu6 Eu4 34.50(9) . 2_665 ? 
O14 Eu6 Eu4 71.06(12) 1_455 2_665 ? 
O11 Eu6 Eu4 163.03(11) . 2_665 ? 
O21 Eu6 Eu4 87.09(9) . 2_665 ? 
O22 Eu6 Eu4 34.26(9) . . ? 
O24 Eu6 Eu4 86.48(10) . . ? 
O3 Eu6 Eu4 106.42(12) . . ? 
O7 Eu6 Eu4 111.68(14) 1_545 . ? 
O23 Eu6 Eu4 87.89(10) . . ? 
O14 Eu6 Eu4 161.90(12) 1_455 . ? 
O11 Eu6 Eu4 72.23(11) . . ? 
O21 Eu6 Eu4 34.06(9) . . ? 
Eu4 Eu6 Eu4 90.933(10) 2_665 . ? 
O22 Eu6 Eu5 32.59(9) . 2_665 ? 
O24 Eu6 Eu5 88.35(9) . 2_665 ? 
O3 Eu6 Eu5 164.02(13) . 2_665 ? 
O7 Eu6 Eu5 70.51(13) 1_545 2_665 ? 
O23 Eu6 Eu5 34.47(10) . 2_665 ? 
O14 Eu6 Eu5 109.76(13) 1_455 2_665 ? 
O11 Eu6 Eu5 106.22(12) . 2_665 ? 
O21 Eu6 Eu5 88.38(9) . 2_665 ? 
Eu4 Eu6 Eu5 61.958(10) 2_665 2_665 ? 
Eu4 Eu6 Eu5 60.818(10) . 2_665 ? 
O22 Eu6 Eu5 89.02(9) . . ? 
O24 Eu6 Eu5 32.69(9) . . ? 
O3 Eu6 Eu5 71.00(12) . . ? 
O7 Eu6 Eu5 163.42(13) 1_545 . ? 
O23 Eu6 Eu5 89.06(9) . . ? 
O14 Eu6 Eu5 105.94(13) 1_455 . ? 
O11 Eu6 Eu5 110.76(13) . . ? 
O21 Eu6 Eu5 33.99(9) . . ? 
Eu4 Eu6 Eu5 60.752(9) 2_665 . ? 
Eu4 Eu6 Eu5 61.723(10) . . ? 
Eu5 Eu6 Eu5 93.618(11) 2_665 . ? 
C19 N1 C32 107.9(6) . . ? 
C19 N1 C6 124.4(6) . . ? 
C32 N1 C6 125.4(6) . . ? 
C44 N2 C59 125.5(6) . . ? 
C44 N2 C72 126.3(6) . . ? 
C59 N2 C72 107.5(6) . . ? 
C91 N3 C89 120.1(12) . . ? 
C91 N3 C90 120.7(15) . . ? 
C89 N3 C90 119.0(11) . . ? 
C1 O1 Eu1 139.1(5) . . ? 
C1 O2 Eu2 134.6(5) . . ? 
C8 O3 Eu6 129.2(5) . . ? 
C8 O4 Eu5 137.2(5) . . ? 
C9 O5 Eu5 140.4(5) . 2_575 ? 
C9 O6 Eu4 135.9(5) . 1_465 ? 
C22 O7 Eu6 130.6(4) . 1_565 ? 
C22 O8 Eu5 134.7(5) . 2_675 ? 
C41 O9 Eu1 133.8(5) . . ? 
C41 O10 Eu3 131.8(5) . . ? 
C48 O11 Eu6 131.9(4) . . ? 
C48 O12 Eu4 139.0(4) . . ? 
C62 O13 Eu4 139.3(5) . 2_765 ? 
C62 O14 Eu6 136.2(4) . 1_655 ? 
C49 O15 Eu2 133.9(6) . 1_645 ? 
C49 O16 Eu3 138.1(5) . 2_756 ? 
C96 O17 Eu1 137.5(9) . . ? 
Eu2 O18 Eu3 111.80(17) 2_666 2_666 ? 
Eu2 O18 Eu1 113.34(17) 2_666 . ? 
Eu3 O18 Eu1 112.61(17) 2_666 . ? 
Eu3 O19 Eu2 113.05(16) 2_666 . ? 
Eu3 O19 Eu1 115.94(17) 2_666 . ? 
Eu2 O19 Eu1 114.68(16) . . ? 
Eu2 O20 Eu3 114.26(17) . . ? 
Eu2 O20 Eu1 113.07(17) . . ? 
Eu3 O20 Eu1 115.08(17) . . ? 
Eu4 O21 Eu6 111.61(16) . . ? 
Eu4 O21 Eu5 116.00(15) . . ? 
Eu6 O21 Eu5 113.02(15) . . ? 
Eu6 O22 Eu4 112.25(15) . . ? 
Eu6 O22 Eu5 115.66(15) . 2_665 ? 
Eu4 O22 Eu5 114.24(15) . 2_665 ? 
Eu6 O23 Eu4 111.08(16) . 2_665 ? 
Eu6 O23 Eu5 112.35(15) . 2_665 ? 
Eu4 O23 Eu5 115.27(15) 2_665 2_665 ? 
Eu6 O24 Eu4 112.92(16) . 2_665 ? 
Eu6 O24 Eu5 115.57(15) . . ? 
Eu4 O24 Eu5 115.10(14) 2_665 . ? 
Eu2 O25 Eu1 115.73(18) . 2_666 ? 
Eu2 O25 Eu3 112.18(16) . 2_666 ? 
Eu1 O25 Eu3 114.77(17) 2_666 2_666 ? 
C97 O26 Eu3 137.8(8) . . ? 
C100 O27 Eu3 147(2) . . ? 
C97 O28 Eu1 138.9(7) 2_666 . ? 
C89 O29 Eu1 124.0(10) . . ? 
C92 O30 Eu5 134.0(8) . . ? 
C98 O31 Eu5 139.9(15) . . ? 
C99 O31 Eu5 142.1(17) . . ? 
C81 O32 Eu2 133.0(7) . . ? 
C96 O33 Eu2 125.7(9) 2_666 . ? 
C81 O34 Eu3 135.7(7) . . ? 
C92 O35 Eu4 133.3(11) . . ? 
C93 O36 Eu4 115.8(15) . . ? 
O1 C1 O2 126.7(7) . . ? 
O1 C1 C2 116.6(6) . . ? 
O2 C1 C2 116.7(6) . . ? 
C3 C2 C7 120.8(6) . . ? 
C3 C2 C1 121.3(6) . . ? 
C7 C2 C1 117.9(6) . . ? 
C4 C3 C2 120.5(7) . . ? 
C4 C3 H3 119.8 . . ? 
C2 C3 H3 119.8 . . ? 
C3 C4 C5 119.6(6) . . ? 
C3 C4 C8 121.3(6) . . ? 
C5 C4 C8 119.1(6) . . ? 
C6 C5 C4 120.2(6) . . ? 
C6 C5 H5 119.9 . . ? 
C4 C5 H5 119.9 . . ? 
C5 C6 N1 119.7(6) . . ? 
C5 C6 C7 119.9(6) . . ? 
N1 C6 C7 120.4(6) . . ? 
C2 C7 C6 118.9(6) . . ? 
C2 C7 H7 120.5 . . ? 
C6 C7 H7 120.5 . . ? 
O4 C8 O3 125.2(6) . . ? 
O4 C8 C4 117.8(6) . . ? 
O3 C8 C4 117.0(6) . . ? 
O6 C9 O5 125.4(7) . . ? 
O6 C9 C10 117.3(7) . . ? 
O5 C9 C10 117.3(7) . . ? 
C11 C10 C15 118.8(7) . . ? 
C11 C10 C9 120.8(7) . . ? 
C15 C10 C9 120.3(7) . . ? 
C10 C11 C12 120.3(8) . . ? 
C10 C11 H11 119.8 . . ? 
C12 C11 H11 119.8 . . ? 
C11 C12 C13 121.2(8) . . ? 
C11 C12 H12 119.4 . . ? 
C13 C12 H12 119.4 . . ? 
C14 C13 C12 117.7(7) . . ? 
C14 C13 C16 121.6(7) . . ? 
C12 C13 C16 120.6(8) . . ? 
C15 C14 C13 121.8(7) . . ? 
C15 C14 H14 119.1 . . ? 
C13 C14 H14 119.1 . . ? 
C14 C15 C10 120.1(8) . . ? 
C14 C15 H15 120.0 . . ? 
C10 C15 H15 120.0 . . ? 
C21 C16 C17 119.1(7) . . ? 
C21 C16 C13 120.7(7) . . ? 
C17 C16 C13 120.2(7) . . ? 
C16 C17 C18 122.6(8) . . ? 
C16 C17 H17 118.7 . . ? 
C18 C17 H17 118.7 . . ? 
C19 C18 C17 117.8(8) . . ? 
C19 C18 H18 121.1 . . ? 
C17 C18 H18 121.1 . . ? 
N1 C19 C18 129.2(7) . . ? 
N1 C19 C20 110.1(6) . . ? 
C18 C19 C20 120.7(7) . . ? 
C19 C20 C21 120.1(7) . . ? 
C19 C20 C31 106.4(6) . . ? 
C21 C20 C31 133.4(7) . . ? 
C16 C21 C20 119.5(7) . . ? 
C16 C21 H21 120.2 . . ? 
C20 C21 H21 120.2 . . ? 
O8 C22 O7 126.6(7) . . ? 
O8 C22 C23 116.4(7) . . ? 
O7 C22 C23 117.0(7) . . ? 
C28 C23 C24 119.8(8) . . ? 
C28 C23 C22 121.3(8) . . ? 
C24 C23 C22 118.9(8) . . ? 
C23 C24 C25 122.2(8) . . ? 
C23 C24 H24 118.9 . . ? 
C25 C24 H24 118.9 . . ? 
C24 C25 C26 118.5(9) . . ? 
C24 C25 H25 120.8 . . ? 
C26 C25 H25 120.8 . . ? 
C27 C26 C25 118.7(8) . . ? 
C27 C26 C29 119.3(9) . . ? 
C25 C26 C29 122.0(9) . . ? 
C28 C27 C26 121.4(9) . . ? 
C28 C27 H27 119.3 . . ? 
C26 C27 H27 119.3 . . ? 
C23 C28 C27 119.4(9) . . ? 
C23 C28 H28 120.3 . . ? 
C27 C28 H28 120.3 . . ? 
C34 C29 C30 119.1(8) . . ? 
C34 C29 C26 120.7(8) . . ? 
C30 C29 C26 120.2(8) . . ? 
C31 C30 C29 119.0(8) . . ? 
C31 C30 H30 120.5 . . ? 
C29 C30 H30 120.5 . . ? 
C30 C31 C32 119.5(7) . . ? 
C30 C31 C20 133.9(7) . . ? 
C32 C31 C20 106.5(7) . . ? 
C33 C32 N1 128.9(7) . . ? 
C33 C32 C31 122.0(7) . . ? 
N1 C32 C31 109.1(7) . . ? 
C32 C33 C34 117.5(8) . . ? 
C32 C33 H33 121.2 . . ? 
C34 C33 H33 121.2 . . ? 
C29 C34 C33 122.9(8) . . ? 
C29 C34 H34 118.6 . . ? 
C33 C34 H34 118.6 . . ? 
O10 C41 O9 126.9(7) . . ? 
O10 C41 C42 117.0(7) . . ? 
O9 C41 C42 116.1(6) . . ? 
C43 C42 C47 120.7(6) . . ? 
C43 C42 C41 118.2(6) . . ? 
C47 C42 C41 121.1(6) . . ? 
C42 C43 C44 120.3(6) . . ? 
C42 C43 H43 119.9 . . ? 
C44 C43 H43 119.9 . . ? 
N2 C44 C45 120.4(6) . . ? 
N2 C44 C43 120.7(6) . . ? 
C45 C44 C43 118.9(6) . . ? 
C46 C45 C44 119.6(6) . . ? 
C46 C45 H45 120.2 . . ? 
C44 C45 H45 120.2 . . ? 
C45 C46 C47 121.1(6) . . ? 
C45 C46 C48 119.3(6) . . ? 
C47 C46 C48 119.5(6) . . ? 
C42 C47 C46 119.1(6) . . ? 
C42 C47 H47 120.5 . . ? 
C46 C47 H47 120.5 . . ? 
O11 C48 O12 127.2(6) . . ? 
O11 C48 C46 119.4(6) . . ? 
O12 C48 C46 113.4(6) . . ? 
O15 C49 O16 126.3(8) . . ? 
O15 C49 C50 118.3(8) . . ? 
O16 C49 C50 115.3(7) . . ? 
C51 C50 C55 117.3(8) . . ? 
C51 C50 C49 122.1(8) . . ? 
C55 C50 C49 120.5(8) . . ? 
C50 C51 C52 122.1(8) . . ? 
C50 C51 H51 119.0 . . ? 
C52 C51 H51 119.0 . . ? 
C53 C52 C51 120.0(8) . . ? 
C53 C52 H52 120.0 . . ? 
C51 C52 H52 120.0 . . ? 
C54 C53 C52 117.8(8) . . ? 
C54 C53 C56 120.7(8) . . ? 
C52 C53 C56 121.5(7) . . ? 
C53 C54 C55 120.6(9) . . ? 
C53 C54 H54 119.7 . . ? 
C55 C54 H54 119.7 . . ? 
C50 C55 C54 122.1(9) . . ? 
C50 C55 H55 118.9 . . ? 
C54 C55 H55 118.9 . . ? 
C57 C56 C61 119.2(7) . . ? 
C57 C56 C53 120.6(7) . . ? 
C61 C56 C53 120.2(8) . . ? 
C58 C57 C56 119.5(7) . . ? 
C58 C57 H57 120.3 . . ? 
C56 C57 H57 120.3 . . ? 
C57 C58 C59 120.3(7) . . ? 
C57 C58 C73 134.2(7) . . ? 
C59 C58 C73 105.4(6) . . ? 
C60 C59 N2 129.1(7) . . ? 
C60 C59 C58 120.6(7) . . ? 
N2 C59 C58 110.1(6) . . ? 
C61 C60 C59 117.4(8) . . ? 
C61 C60 H60 121.3 . . ? 
C59 C60 H60 121.3 . . ? 
C60 C61 C56 122.8(8) . . ? 
C60 C61 H61 118.6 . . ? 
C56 C61 H61 118.6 . . ? 
O14 C62 O13 124.6(6) . . ? 
O14 C62 C63 118.5(6) . . ? 
O13 C62 C63 117.0(6) . . ? 
C64 C63 C68 117.9(7) . . ? 
C64 C63 C62 121.5(7) . . ? 
C68 C63 C62 120.5(7) . . ? 
C63 C64 C65 121.0(7) . . ? 
C63 C64 H64 119.5 . . ? 
C65 C64 H64 119.5 . . ? 
C66 C65 C64 120.3(7) . . ? 
C66 C65 H65 119.8 . . ? 
C64 C65 H65 119.8 . . ? 
C67 C66 C65 117.9(7) . . ? 
C67 C66 C69 121.3(7) . . ? 
C65 C66 C69 120.8(7) . . ? 
C66 C67 C68 121.2(7) . . ? 
C66 C67 H67 119.4 . . ? 
C68 C67 H67 119.4 . . ? 
C63 C68 C67 121.5(7) . . ? 
C63 C68 H68 119.2 . . ? 
C67 C68 H68 119.2 . . ? 
C74 C69 C70 118.8(7) . . ? 
C74 C69 C66 119.3(7) . . ? 
C70 C69 C66 121.9(7) . . ? 
C71 C70 C69 123.3(7) . . ? 
C71 C70 H70 118.3 . . ? 
C69 C70 H70 118.3 . . ? 
C70 C71 C72 116.7(7) . . ? 
C70 C71 H71 121.7 . . ? 
C72 C71 H71 121.7 . . ? 
C71 C72 C73 122.3(7) . . ? 
C71 C72 N2 129.2(6) . . ? 
C73 C72 N2 108.5(6) . . ? 
C72 C73 C74 119.5(7) . . ? 
C72 C73 C58 108.4(6) . . ? 
C74 C73 C58 132.1(7) . . ? 
C69 C74 C73 119.4(7) . . ? 
C69 C74 H74 120.3 . . ? 
C73 C74 H74 120.3 . . ? 
O34 C81 O32 129.5(9) . . ? 
O34 C81 C82 115.0(10) . . ? 
O32 C81 C82 115.3(10) . . ? 
C83 C82 C87 120.0 . . ? 
C83 C82 C81 118.2(8) . . ? 
C87 C82 C81 121.7(8) . . ? 
F2 C83 C84 117.6(8) . . ? 
F2 C83 C82 122.1(8) . . ? 
C84 C83 C82 120.0 . . ? 
C83 C84 C85 120.0 . . ? 
C83 C84 H84 120.0 . . ? 
C85 C84 H84 120.0 . . ? 
C84 C85 C86 120.0 . . ? 
C84 C85 H85 120.0 . . ? 
C86 C85 H85 120.0 . . ? 
C87 C86 C85 120.0 . . ? 
C87 C86 H86 120.0 . . ? 
C85 C86 H86 120.0 . . ? 
F1 C87 C86 116.2(7) . . ? 
F1 C87 C82 123.8(7) . . ? 
C86 C87 C82 120.0 . . ? 
O29 C89 N3 124.3(14) . . ? 
O29 C89 H89 117.9 . . ? 
N3 C89 H89 117.9 . . ? 
N3 C90 H90A 109.5 . . ? 
N3 C90 H90B 109.5 . . ? 
H90A C90 H90B 109.5 . . ? 
N3 C90 H90C 109.5 . . ? 
H90A C90 H90C 109.5 . . ? 
H90B C90 H90C 109.5 . . ? 
N3 C91 H91A 109.5 . . ? 
N3 C91 H91B 109.5 . . ? 
H91A C91 H91B 109.5 . . ? 
N3 C91 H91C 109.5 . . ? 
H91A C91 H91C 109.5 . . ? 
H91B C91 H91C 109.5 . . ? 
O30 C92 O35 125.8(19) . . ? 
C93 N4 C95 118.4(14) . . ? 
C93 N4 C94 116.8(14) . . ? 
C95 N4 C94 125(2) . . ? 
N4 C95 H95A 109.5 . . ? 
N4 C95 H95B 109.5 . . ? 
H95A C95 H95B 109.5 . . ? 
N4 C95 H95C 109.5 . . ? 
H95A C95 H95C 109.5 . . ? 
H95B C95 H95C 109.5 . . ? 
N4 C94 H94A 109.5 . . ? 
N4 C94 H94B 109.5 . . ? 
H94A C94 H94B 109.5 . . ? 
N4 C94 H94C 109.5 . . ? 
H94A C94 H94C 109.5 . . ? 
H94B C94 H94C 109.5 . . ? 
O36 C93 N4 127(2) . . ? 
O36 C93 Eu4 42.6(10) . . ? 
N4 C93 Eu4 148.7(14) . . ? 
O36 C93 H93 116.4 . . ? 
N4 C93 H93 116.4 . . ? 
Eu4 C93 H93 82.3 . . ? 
O26 C97 O28 125.0(12) . 2_666 ? 
O17 C96 O33 132.4(15) . 2_666 ? 
  
_refine_diff_density_max    1.310 
_refine_diff_density_min   -0.827 
_refine_diff_density_rms    0.134 
  
  
