data_lty_5_62_4_0m_a
_audit_creation_date              2018-12-22
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number            2014/6
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety          '0.5(C240 H144 N24 O67.76 Yb12)'
_chemical_formula_sum             'C120 H72 N12 O33.88 Yb6'
_chemical_formula_weight          3262.21
_chemical_melting_point           ?
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'

_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.
;
_space_group_crystal_system       'cubic'
_space_group_IT_number            225
_space_group_name_H-M_alt         'F m -3 m'
_space_group_name_Hall            '-F 4 2 3'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, z'
 '-x, y, -z'
 'x, -y, -z'
 'z, x, y'
 'z, -x, -y'
 '-z, -x, y'
 '-z, x, -y'
 'y, z, x'
 '-y, z, -x'
 'y, -z, -x'
 '-y, -z, x'
 'y, x, -z'
 '-y, -x, -z'
 'y, -x, z'
 '-y, x, z'
 'x, z, -y'
 '-x, z, y'
 '-x, -z, -y'
 'x, -z, y'
 'z, y, -x'
 'z, -y, x'
 '-z, y, x'
 '-z, -y, -x'
 'x, y+1/2, z+1/2'
 '-x, -y+1/2, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x, -y+1/2, -z+1/2'
 'z, x+1/2, y+1/2'
 'z, -x+1/2, -y+1/2'
 '-z, -x+1/2, y+1/2'
 '-z, x+1/2, -y+1/2'
 'y, z+1/2, x+1/2'
 '-y, z+1/2, -x+1/2'
 'y, -z+1/2, -x+1/2'
 '-y, -z+1/2, x+1/2'
 'y, x+1/2, -z+1/2'
 '-y, -x+1/2, -z+1/2'
 'y, -x+1/2, z+1/2'
 '-y, x+1/2, z+1/2'
 'x, z+1/2, -y+1/2'
 '-x, z+1/2, y+1/2'
 '-x, -z+1/2, -y+1/2'
 'x, -z+1/2, y+1/2'
 'z, y+1/2, -x+1/2'
 'z, -y+1/2, x+1/2'
 '-z, y+1/2, x+1/2'
 '-z, -y+1/2, -x+1/2'
 'x+1/2, y, z+1/2'
 '-x+1/2, -y, z+1/2'
 '-x+1/2, y, -z+1/2'
 'x+1/2, -y, -z+1/2'
 'z+1/2, x, y+1/2'
 'z+1/2, -x, -y+1/2'
 '-z+1/2, -x, y+1/2'
 '-z+1/2, x, -y+1/2'
 'y+1/2, z, x+1/2'
 '-y+1/2, z, -x+1/2'
 'y+1/2, -z, -x+1/2'
 '-y+1/2, -z, x+1/2'
 'y+1/2, x, -z+1/2'
 '-y+1/2, -x, -z+1/2'
 'y+1/2, -x, z+1/2'
 '-y+1/2, x, z+1/2'
 'x+1/2, z, -y+1/2'
 '-x+1/2, z, y+1/2'
 '-x+1/2, -z, -y+1/2'
 'x+1/2, -z, y+1/2'
 'z+1/2, y, -x+1/2'
 'z+1/2, -y, x+1/2'
 '-z+1/2, y, x+1/2'
 '-z+1/2, -y, -x+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, -y+1/2, z'
 '-x+1/2, y+1/2, -z'
 'x+1/2, -y+1/2, -z'
 'z+1/2, x+1/2, y'
 'z+1/2, -x+1/2, -y'
 '-z+1/2, -x+1/2, y'
 '-z+1/2, x+1/2, -y'
 'y+1/2, z+1/2, x'
 '-y+1/2, z+1/2, -x'
 'y+1/2, -z+1/2, -x'
 '-y+1/2, -z+1/2, x'
 'y+1/2, x+1/2, -z'
 '-y+1/2, -x+1/2, -z'
 'y+1/2, -x+1/2, z'
 '-y+1/2, x+1/2, z'
 'x+1/2, z+1/2, -y'
 '-x+1/2, z+1/2, y'
 '-x+1/2, -z+1/2, -y'
 'x+1/2, -z+1/2, y'
 'z+1/2, y+1/2, -x'
 'z+1/2, -y+1/2, x'
 '-z+1/2, y+1/2, x'
 '-z+1/2, -y+1/2, -x'
 '-x, -y, -z'
 'x, y, -z'
 'x, -y, z'
 '-x, y, z'
 '-z, -x, -y'
 '-z, x, y'
 'z, x, -y'
 'z, -x, y'
 '-y, -z, -x'
 'y, -z, x'
 '-y, z, x'
 'y, z, -x'
 '-y, -x, z'
 'y, x, z'
 '-y, x, -z'
 'y, -x, -z'
 '-x, -z, y'
 'x, -z, -y'
 'x, z, y'
 '-x, z, -y'
 '-z, -y, x'
 '-z, y, -x'
 'z, -y, -x'
 'z, y, x'
 '-x, -y+1/2, -z+1/2'
 'x, y+1/2, -z+1/2'
 'x, -y+1/2, z+1/2'
 '-x, y+1/2, z+1/2'
 '-z, -x+1/2, -y+1/2'
 '-z, x+1/2, y+1/2'
 'z, x+1/2, -y+1/2'
 'z, -x+1/2, y+1/2'
 '-y, -z+1/2, -x+1/2'
 'y, -z+1/2, x+1/2'
 '-y, z+1/2, x+1/2'
 'y, z+1/2, -x+1/2'
 '-y, -x+1/2, z+1/2'
 'y, x+1/2, z+1/2'
 '-y, x+1/2, -z+1/2'
 'y, -x+1/2, -z+1/2'
 '-x, -z+1/2, y+1/2'
 'x, -z+1/2, -y+1/2'
 'x, z+1/2, y+1/2'
 '-x, z+1/2, -y+1/2'
 '-z, -y+1/2, x+1/2'
 '-z, y+1/2, -x+1/2'
 'z, -y+1/2, -x+1/2'
 'z, y+1/2, x+1/2'
 '-x+1/2, -y, -z+1/2'
 'x+1/2, y, -z+1/2'
 'x+1/2, -y, z+1/2'
 '-x+1/2, y, z+1/2'
 '-z+1/2, -x, -y+1/2'
 '-z+1/2, x, y+1/2'
 'z+1/2, x, -y+1/2'
 'z+1/2, -x, y+1/2'
 '-y+1/2, -z, -x+1/2'
 'y+1/2, -z, x+1/2'
 '-y+1/2, z, x+1/2'
 'y+1/2, z, -x+1/2'
 '-y+1/2, -x, z+1/2'
 'y+1/2, x, z+1/2'
 '-y+1/2, x, -z+1/2'
 'y+1/2, -x, -z+1/2'
 '-x+1/2, -z, y+1/2'
 'x+1/2, -z, -y+1/2'
 'x+1/2, z, y+1/2'
 '-x+1/2, z, -y+1/2'
 '-z+1/2, -y, x+1/2'
 '-z+1/2, y, -x+1/2'
 'z+1/2, -y, -x+1/2'
 'z+1/2, y, x+1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, y+1/2, -z'
 'x+1/2, -y+1/2, z'
 '-x+1/2, y+1/2, z'
 '-z+1/2, -x+1/2, -y'
 '-z+1/2, x+1/2, y'
 'z+1/2, x+1/2, -y'
 'z+1/2, -x+1/2, y'
 '-y+1/2, -z+1/2, -x'
 'y+1/2, -z+1/2, x'
 '-y+1/2, z+1/2, x'
 'y+1/2, z+1/2, -x'
 '-y+1/2, -x+1/2, z'
 'y+1/2, x+1/2, z'
 '-y+1/2, x+1/2, -z'
 'y+1/2, -x+1/2, -z'
 '-x+1/2, -z+1/2, y'
 'x+1/2, -z+1/2, -y'
 'x+1/2, z+1/2, y'
 '-x+1/2, z+1/2, -y'
 '-z+1/2, -y+1/2, x'
 '-z+1/2, y+1/2, -x'
 'z+1/2, -y+1/2, -x'
 'z+1/2, y+1/2, x'

_cell_length_a                    33.4692(14)
_cell_length_b                    33.4692(14)
_cell_length_c                    33.4692(14)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      37492(5)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     9223
_cell_measurement_temperature     230(2)
_cell_measurement_theta_max       51.18
_cell_measurement_theta_min       2.29
_shelx_estimated_absorpt_T_max    0.724
_shelx_estimated_absorpt_T_min    0.724
_exptl_absorpt_coefficient_mu     2.872
_exptl_absorpt_correction_T_max   0.7501
_exptl_absorpt_correction_T_min   0.5304
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
'SADABS-2014/4 (Bruker,2014/4) was used for absorption correction. wR2(int) was 0.1224 before and 0.0792 after correction. The Ratio of minimum to maximum transmission is 0.7071. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             colourless
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     0.578
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        octahedron
_exptl_crystal_F_000              6268
_exptl_crystal_size_max           0.12
_exptl_crystal_size_mid           0.12
_exptl_crystal_size_min           0.12
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.1353
_diffrn_reflns_av_unetI/netI      0.0470
_diffrn_reflns_Laue_measured_fraction_full 0.619
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max        33
_diffrn_reflns_limit_h_min        -33
_diffrn_reflns_limit_k_max        23
_diffrn_reflns_limit_k_min        -33
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_limit_l_min        -33
_diffrn_reflns_number             16692
_diffrn_reflns_point_group_measured_fraction_full 0.619
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full         67.679
_diffrn_reflns_theta_max          51.173
_diffrn_reflns_theta_min          2.286
_diffrn_ambient_temperature       230.0
_diffrn_detector                  'CCD area detector'
_diffrn_detector_area_resol_mean  8
_diffrn_detector_type             'APEX II CCD'
_diffrn_measured_fraction_theta_full 0.619
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type   'Bruker X8 Prospector Ultra'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_radiation_monochromator   graphite
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54178
_diffrn_source                    ?
_diffrn_source_target             Cu
_diffrn_standards_number          0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 929
_reflns_number_total              1076
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection        ?
_computing_data_reduction         'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2008)'
_computing_structure_solution     'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max          1.621
_refine_diff_density_min          -1.302
_refine_diff_density_rms          0.210
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.308
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      56
_refine_ls_number_reflns          1076
_refine_ls_number_restraints      85
_refine_ls_R_factor_all           0.1070
_refine_ls_R_factor_gt            0.0983
_refine_ls_restrained_S_all       1.273
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1569P)²+617.4092P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.2754
_refine_ls_wR_factor_ref          0.2831
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2. Restrained distances
 C3-C2 = C4-C3 = C5-C4 = C7-C6
 1.38 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 O1, C1, C2, C3, C4, C5, C6, C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: N1(0.25) H1A(0.25) H1B(0.25)
6.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7)
6.b X=CH2 refined with riding coordinates:
 N1(H1A,H1B)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
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 0.5000 0.5000 0.41933(4) 0.0448(9) Uani 1 8 d S T P . .
 O1 O 0.4387(4) 0.5000 0.3891(4) 0.082(4) Uani 1 2 d S TU P . .
 O2 O 0.5375(2) 0.5375(2) 0.4625(2) 0.025(3) Uani 1 6 d S T P . .
 N1 N 0.4200(15) 0.5000 0.3148(14) 0.28(6) Uani 0.5 2 d S T P . .
 H1A H 0.4237 0.5000 0.2891 0.334 Uiso 0.5 2 calc RS T P . .
 H1B H 0.4405 0.5000 0.3308 0.334 Uiso 0.5 2 calc RS T P . .
 C1 C 0.4014(6) 0.5000 0.4014(6) 0.101(8) Uani 1 4 d S TU P . .
 C2 C 0.3712(6) 0.5000 0.3712(6) 0.128(9) Uani 1 4 d DS TU P . .
 C3 C 0.3803(8) 0.5000 0.3308(6) 0.165(10) Uani 1 2 d DS TU P . .
 C4 C 0.3505(8) 0.5000 0.3023(9) 0.199(12) Uani 1 2 d DS TU P . .
 H4 H 0.3582 0.5000 0.2753 0.238 Uiso 1 2 calc RS T P . .
 C5 C 0.3108(10) 0.5000 0.3108(10) 0.228(15) Uani 1 4 d DS TU P . .
 C6 C 0.2788(11) 0.5000 0.2788(11) 0.266(18) Uani 1 4 d DS TU P . .
 C7 C 0.2924(12) 0.5000 0.2398(8) 0.30(2) Uani 1 2 d DS TU P . .
 H7 H 0.3197 0.5000 0.2335 0.358 Uiso 1 2 calc RS T P . .
 O1S O 0.5000 0.5000 0.342(4) 0.14(6) Uiso 0.31(9) 8 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 Yb1 3.818(2) 5 ?
 Yb1 Yb1 3.818(2) 105_666 ?
 Yb1 Yb1 3.818(2) 101_666 ?
 Yb1 O1 2.288(12) 109_665 ?
 Yb1 O1 2.288(12) 110 ?
 Yb1 O1 2.288(12) 2_665 ?
 Yb1 O1 2.288(12) . ?
 Yb1 O2 2.289(4) 99_565 ?
 Yb1 O2 2.289(4) . ?
 Yb1 O2 2.289(4) 100_655 ?
 Yb1 O2 2.289(4) 2_665 ?
 Yb1 O1S 2.57(14) . ?
 O1 C1 1.313(19) . ?
 O2 Yb1 2.289(4) 105_666 ?
 O2 Yb1 2.289(4) 101_666 ?
 N1 H1A 0.8700 . ?
 N1 H1B 0.8700 . ?
 N1 C3 1.43(6) . ?
 C1 O1 1.313(18) 22_565 ?
 C1 C2 1.43(4) . ?
 C2 C3 1.384(18) . ?
 C2 C3 1.384(18) 22_565 ?
 C3 C4 1.378(18) . ?
 C4 H4 0.9400 . ?
 C4 C5 1.360(18) . ?
 C5 C4 1.360(18) 22_565 ?
 C5 C6 1.51(6) . ?
 C6 C7 1.383(19) . ?
 C6 C7 1.383(19) 22_565 ?
 C7 C7 1.52(6) 166 ?
 C7 H7 0.9400 . ?

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
 Yb1 Yb1 Yb1 90.002(1) 101_666 5 ?
 Yb1 Yb1 Yb1 60.0 101_666 105_666 ?
 Yb1 Yb1 Yb1 60.001(1) 105_666 5 ?
 O1 Yb1 Yb1 161.3(4) 110 105_666 ?
 O1 Yb1 Yb1 161.3(4) 2_665 5 ?
 O1 Yb1 Yb1 108.2(2) 110 101_666 ?
 O1 Yb1 Yb1 108.2(2) 110 5 ?
 O1 Yb1 Yb1 161.3(4) . 101_666 ?
 O1 Yb1 Yb1 108.2(2) 109_665 5 ?
 O1 Yb1 Yb1 71.2(4) 2_665 101_666 ?
 O1 Yb1 Yb1 71.3(4) . 5 ?
 O1 Yb1 Yb1 108.2(2) 2_665 105_666 ?
 O1 Yb1 Yb1 108.2(2) 109_665 101_666 ?
 O1 Yb1 Yb1 108.2(2) . 105_666 ?
 O1 Yb1 Yb1 71.2(4) 109_665 105_666 ?
 O1 Yb1 O1 78.7(3) 110 2_665 ?
 O1 Yb1 O1 78.7(3) 109_665 . ?
 O1 Yb1 O1 78.7(3) 109_665 2_665 ?
 O1 Yb1 O1 127.5(7) 2_665 . ?
 O1 Yb1 O1 127.5(7) 110 109_665 ?
 O1 Yb1 O1 78.7(3) 110 . ?
 O1 Yb1 O2 140.45(19) 109_665 2_665 ?
 O1 Yb1 O2 77.7(4) 110 2_665 ?
 O1 Yb1 O2 140.45(19) 110 100_655 ?
 O1 Yb1 O2 77.7(4) 109_665 100_655 ?
 O1 Yb1 O2 77.7(4) 110 99_565 ?
 O1 Yb1 O2 77.7(4) . 100_655 ?
 O1 Yb1 O2 140.45(19) . 99_565 ?
 O1 Yb1 O2 140.45(19) 109_665 99_565 ?
 O1 Yb1 O2 77.7(4) . 2_665 ?
 O1 Yb1 O2 77.7(4) 2_665 . ?
 O1 Yb1 O2 140.45(19) 110 . ?
 O1 Yb1 O2 140.45(19) 2_665 2_665 ?
 O1 Yb1 O2 77.7(4) 2_665 99_565 ?
 O1 Yb1 O2 77.7(4) 109_665 . ?
 O1 Yb1 O2 140.45(19) . . ?
 O1 Yb1 O2 140.45(19) 2_665 100_655 ?
 O1 Yb1 O1S 63.7(4) 2_665 . ?
 O1 Yb1 O1S 63.7(4) . . ?
 O1 Yb1 O1S 63.7(4) 109_665 . ?
 O1 Yb1 O1S 63.7(4) 110 . ?
 O2 Yb1 Yb1 33.49(13) 100_655 5 ?
 O2 Yb1 Yb1 86.7(3) . 5 ?
 O2 Yb1 Yb1 86.7(3) 2_665 101_666 ?
 O2 Yb1 Yb1 33.49(13) . 101_666 ?
 O2 Yb1 Yb1 33.49(13) 2_665 5 ?
 O2 Yb1 Yb1 86.7(3) 99_565 5 ?
 O2 Yb1 Yb1 86.7(3) 2_665 105_666 ?
 O2 Yb1 Yb1 86.7(3) 99_565 105_666 ?
 O2 Yb1 Yb1 86.7(3) 100_655 101_666 ?
 O2 Yb1 Yb1 33.49(13) . 105_666 ?
 O2 Yb1 Yb1 33.49(13) 100_655 105_666 ?
 O2 Yb1 Yb1 33.49(13) 99_565 101_666 ?
 O2 Yb1 O2 66.6(3) 100_655 . ?
 O2 Yb1 O2 101.8(6) 2_665 . ?
 O2 Yb1 O2 101.8(6) 100_655 99_565 ?
 O2 Yb1 O2 66.6(3) 99_565 2_665 ?
 O2 Yb1 O2 66.6(3) 99_565 . ?
 O2 Yb1 O2 66.6(3) 100_655 2_665 ?
 O2 Yb1 O1S 129.1(3) 100_655 . ?
 O2 Yb1 O1S 129.1(3) 99_565 . ?
 O2 Yb1 O1S 129.1(3) 2_665 . ?
 O2 Yb1 O1S 129.1(3) . . ?
 O1S Yb1 Yb1 134.999(3) . 105_666 ?
 O1S Yb1 Yb1 134.999(9) . 101_666 ?
 O1S Yb1 Yb1 134.999(9) . 5 ?
 C1 O1 Yb1 135.4(14) . . ?
 Yb1 O2 Yb1 113.0(3) . 101_666 ?
 Yb1 O2 Yb1 113.0(3) . 105_666 ?
 Yb1 O2 Yb1 113.0(3) 105_666 101_666 ?
 H1A N1 H1B 120.0 . . ?
 C3 N1 H1A 120.0 . . ?
 C3 N1 H1B 120.0 . . ?
 O1 C1 O1 127(3) 22_565 . ?
 O1 C1 C2 116.7(13) . . ?
 O1 C1 C2 116.7(13) 22_565 . ?
 C3 C2 C1 122.3(17) . . ?
 C3 C2 C1 122.3(17) 22_565 . ?
 C3 C2 C3 115(3) 22_565 . ?
 C2 C3 N1 125(3) . . ?
 C4 C3 N1 114(3) . . ?
 C4 C3 C2 121(3) . . ?
 C3 C4 H4 117.9 . . ?
 C5 C4 C3 124(4) . . ?
 C5 C4 H4 117.9 . . ?
 C4 C5 C4 114(5) 22_565 . ?
 C4 C5 C6 123(2) . . ?
 C4 C5 C6 123(2) 22_565 . ?
 C7 C6 C5 116(3) 22_565 . ?
 C7 C6 C5 116(3) . . ?
 C7 C6 C7 128(6) 22_565 . ?
 C6 C7 C7 116(3) . 166 ?
 C6 C7 H7 122.1 . . ?
 C7 C7 H7 122.1 166 . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Yb1 O1 C1 O1 0.000(4) . . . 22_565 ?
 Yb1 O1 C1 C2 180.000(2) . . . . ?
 O1 C1 C2 C3 0.000(4) 22_565 . . 22_565 ?
 O1 C1 C2 C3 180.000(3) 22_565 . . . ?
 O1 C1 C2 C3 180.000(3) . . . 22_565 ?
 O1 C1 C2 C3 0.000(4) . . . . ?
 N1 C3 C4 C5 180.000(3) . . . . ?
 C1 C2 C3 N1 0.000(5) . . . . ?
 C1 C2 C3 C4 180.000(3) . . . . ?
 C2 C3 C4 C5 0.000(4) . . . . ?
 C3 C2 C3 N1 180.000(4) 22_565 . . . ?
 C3 C2 C3 C4 0.000(3) 22_565 . . . ?
 C3 C4 C5 C4 0.000(4) . . . 22_565 ?
 C3 C4 C5 C6 180.000(3) . . . . ?
 C4 C5 C6 C7 180.000(4) 22_565 . . . ?
 C4 C5 C6 C7 0.000(5) 22_565 . . 22_565 ?
 C4 C5 C6 C7 180.000(4) . . . 22_565 ?
 C4 C5 C6 C7 0.000(4) . . . . ?
 C5 C6 C7 C7 180.000(3) . . . 166 ?
 C7 C6 C7 C7 0.000(6) 22_565 . . 166 ?

_olex2_submission_special_instructions 'No special instructions were received'

