 
data_YTU-100
 
_audit_creation_method            SHELXL-2014
_chemical_name_systematic
;
 ?
;
_chemical_name_common             'Tb Four (4-carboxyphenyl) methane'
_chemical_melting_point           'N/a'
_chemical_formula_moiety          'C70 N8 O36 Tb4 [+ solvent]'
_chemical_formula_sum
 'C70 N8 O36 Tb4 [+ solvent]' 
_chemical_formula_weight          2164.50

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 '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'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Tb'  'Tb'  -0.1723   4.1537
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 21/c'
_space_group_name_Hall            '-P 2ybc'
 
_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+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    22.9034(14)
_cell_length_b                    24.4992(19)
_cell_length_c                    24.7802(19)
_cell_angle_alpha                 90
_cell_angle_beta                  94.625(2)
_cell_angle_gamma                 90
_cell_volume                      13859.3(17)
_cell_formula_units_Z             4
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     1850 
_cell_measurement_theta_min       3.04 
_cell_measurement_theta_max       24.99 
 
_exptl_crystal_description        'Blcok' 
_exptl_crystal_colour             'Colorless'
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ?              
_exptl_crystal_density_diffrn     1.037          
_exptl_crystal_F_000              4096.0
_exptl_transmission_factor_min    ?                                             
_exptl_transmission_factor_max    ?                                             
_exptl_crystal_size_max           0.140 
_exptl_crystal_size_mid           0.070 
_exptl_crystal_size_min           0.035 
_exptl_absorpt_coefficient_mu     2.070
_shelx_estimated_absorpt_T_min    0.110 
_shelx_estimated_absorpt_T_max    0.350 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.840 
_exptl_absorpt_correction_T_max   0.930
_exptl_absorpt_process_details    'SHELTXPREP'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       296(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?                       
_diffrn_measurement_device_type   'Bruker APEX-II' 
_diffrn_measurement_method        '0.5 wide w/ exposures'
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             171349
_diffrn_reflns_av_unetI/netI      0.0850
_diffrn_reflns_av_R_equivalents   0.1618
_diffrn_reflns_limit_h_min        -25
_diffrn_reflns_limit_h_max        25
_diffrn_reflns_limit_k_min        -27
_diffrn_reflns_limit_k_max        27
_diffrn_reflns_limit_l_min        -27
_diffrn_reflns_limit_l_max        27
_diffrn_reflns_theta_min          2.189
_diffrn_reflns_theta_max          23.351
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.989
_diffrn_measured_fraction_theta_full  0.794
_diffrn_reflns_Laue_measured_fraction_max    0.989
_diffrn_reflns_Laue_measured_fraction_full   0.794
_diffrn_reflns_point_group_measured_fraction_max   0.989
_diffrn_reflns_point_group_measured_fraction_full  0.794
_reflns_number_total              20131
_reflns_number_gt                 13355
_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        'Bruker APEX2'
_computing_cell_refinement        'Bruker SAINT'
_computing_data_reduction         'Bruker SAINT'
_computing_structure_solution     'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement   'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics     'Bruker SHELXTL'
_computing_publication_material   'Bruker SHELXTL'
 
_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)+(0.0958P)²+175.4189P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          19906
_refine_ls_number_parameters      1063
_refine_ls_number_restraints      708
_refine_ls_R_factor_all           0.1250
_refine_ls_R_factor_gt            0.0799
_refine_ls_wR_factor_ref          0.2346
_refine_ls_wR_factor_gt           0.2036
_refine_ls_goodness_of_fit_ref    1.086
_refine_ls_restrained_S_all       1.084
_refine_ls_shift/su_max           0.003
_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
Tb3 Tb 0.48108(3) 0.51016(3) 0.16563(3) 0.0400(2) Uani 1 1 d . U . . .
Tb2 Tb 0.47737(3) 0.04158(3) 0.17482(3) 0.0430(2) Uani 1 1 d . U . . .
Tb1 Tb 1.00395(3) 0.17533(3) 0.49612(3) 0.0432(2) Uani 1 1 d . U . . .
Tb4 Tb 0.02120(3) 0.16257(3) 0.03470(3) 0.0459(2) Uani 1 1 d . U . . .
O13 O 0.5698(4) 0.4669(4) 0.2006(4) 0.051(2) Uani 1 1 d . U . . .
O34 O 0.0767(4) 0.3128(4) 0.4617(4) 0.051(2) Uani 1 1 d . U . . .
O25 O 0.5750(4) 0.0817(4) 0.3012(4) 0.048(2) Uani 1 1 d . U . . .
O31 O 0.0677(4) 0.2425(5) 0.0673(4) 0.060(3) Uani 1 1 d . U . . .
O35 O 0.9485(4) 0.2979(4) 0.0693(4) 0.056(3) Uani 1 1 d . U . . .
O24 O 0.5637(4) 0.0874(4) 0.2101(4) 0.054(3) Uani 1 1 d . U . . .
O19 O 0.4521(4) 0.0768(4) 0.2564(4) 0.051(2) Uani 1 1 d . U . . .
O15 O 0.4524(4) 0.4741(4) 0.2459(4) 0.054(3) Uani 1 1 d . U . . .
O33 O 0.0779(4) 0.2216(4) 0.4545(4) 0.052(2) Uani 1 1 d . U . . .
O36 O 0.9451(4) 0.2079(4) 0.0767(4) 0.056(3) Uani 1 1 d . U . . .
O14 O 0.5744(4) 0.4671(4) 0.2899(4) 0.057(3) Uani 1 1 d . U . . .
O20 O 0.4542(4) 0.0857(4) 0.3455(4) 0.052(3) Uani 1 1 d . U . . .
O3 O 0.9620(4) 0.2562(4) 0.4638(4) 0.055(3) Uani 1 1 d . U . . .
O4 O 0.9496(5) 0.3447(5) 0.4583(4) 0.065(3) Uani 1 1 d . U . . .
O8 O 0.5316(5) 0.4958(5) 0.0827(5) 0.074(3) Uani 1 1 d . U . . .
O16 O 0.4501(5) 0.4736(4) 0.3349(5) 0.064(3) Uani 1 1 d . U . . .
O12 O 0.4672(5) 0.4126(4) 0.1402(5) 0.066(3) Uani 1 1 d . U . . .
O32 O 0.0806(5) 0.3313(5) 0.0660(4) 0.063(3) Uani 1 1 d . U . . .
O1 O 0.9948(5) 0.0869(6) 0.5445(6) 0.098(4) Uani 1 1 d . U . . .
C42 C 0.2189(5) 0.2768(5) 0.3212(5) 0.035(3) Uani 1 1 d . U . . .
C34 C 0.3049(5) 0.3264(5) 0.2798(5) 0.030(3) Uani 1 1 d . U . . .
C31 C 0.3879(5) 0.4106(5) 0.2850(5) 0.033(3) Uani 1 1 d . U . . .
O2 O 0.9057(5) 0.1437(5) 0.4690(5) 0.075(3) Uani 1 1 d . U . . .
C45 C 0.3052(5) 0.2281(5) 0.2807(5) 0.032(3) Uani 1 1 d . U . . .
O18 O 0.3746(5) 0.0631(6) 0.1489(5) 0.088(4) Uani 1 1 d . U . . .
C38 C 0.0931(6) 0.2695(7) 0.4418(6) 0.047(4) Uani 1 1 d . U . . .
O17 O 0.4492(6) -0.0118(6) 0.0935(5) 0.099(4) Uani 1 1 d . U . . .
C37 C 0.2613(5) 0.2770(5) 0.2764(5) 0.031(3) Uani 1 1 d . U . . .
O5 O 0.9991(6) 0.1464(6) 0.3975(5) 0.094(4) Uani 1 1 d . U . . .
C48 C 0.3899(6) 0.1451(5) 0.2911(5) 0.040(3) Uani 1 1 d . U . . .
C30 C 0.4330(6) 0.4557(6) 0.2897(6) 0.044(3) Uani 1 1 d . U . . .
C55 C 0.1377(5) 0.2797(6) 0.1343(5) 0.041(3) Uani 1 1 d . U . . .
C49 C 0.4358(6) 0.1009(5) 0.2984(6) 0.042(3) Uani 1 1 d . U . . .
C39 C 0.1355(5) 0.2724(5) 0.3988(5) 0.038(3) Uani 1 1 d . U . . .
C56 C 0.1574(6) 0.2302(6) 0.1532(6) 0.050(4) Uani 1 1 d . U . . .
O6 O 1.0658(6) 0.1066(6) 0.4516(6) 0.095(4) Uani 1 1 d . U . . .
C5 C 0.8079(5) 0.2796(5) 0.3062(5) 0.033(3) Uani 1 1 d . U . . .
C52 C 0.2199(5) 0.2781(5) 0.2224(5) 0.037(3) Uani 1 1 d . U . . .
C22 C 0.9300(6) 0.2548(6) 0.0890(6) 0.045(3) Uani 1 1 d . U . . .
C1 C 0.9378(5) 0.2979(6) 0.4415(5) 0.038(3) Uani 1 1 d . U . . .
C36 C 0.3672(6) 0.3905(6) 0.2359(6) 0.047(4) Uani 1 1 d . U . . .
C51 C 0.3301(5) 0.2075(5) 0.2350(5) 0.038(3) Uani 1 1 d . U . . .
C16 C 0.8044(5) 0.2705(5) 0.2095(5) 0.037(3) Uani 1 1 d . U . . .
O29 O -0.0389(7) 0.0855(6) 0.0573(6) 0.112(5) Uani 1 1 d . U . . .
C54 C 0.1549(6) 0.3296(6) 0.1585(6) 0.045(3) Uani 1 1 d . U . . .
C26 C 0.6353(5) 0.1440(5) 0.2570(5) 0.037(3) Uani 1 1 d . U . . .
C15 C 0.5901(6) 0.4515(6) 0.2465(6) 0.048(4) Uani 1 1 d . U . . .
C47 C 0.3648(7) 0.1659(6) 0.3365(6) 0.055(4) Uani 1 1 d . U . . .
C41 C 0.1999(6) 0.3242(5) 0.3440(6) 0.043(3) Uani 1 1 d . U . . .
C3 C 0.8801(6) 0.2396(6) 0.3722(6) 0.047(4) Uani 1 1 d . U . . .
C9 C 0.7201(5) 0.3242(5) 0.2503(5) 0.036(3) Uani 1 1 d . U . . .
C29 C 0.5886(6) 0.1003(6) 0.2558(6) 0.047(4) Uani 1 1 d . U . . .
C44 C 0.1529(6) 0.2246(6) 0.3752(6) 0.048(4) Uani 1 1 d . U . . .
O10 O 0.3751(6) 0.4930(6) 0.1322(6) 0.095(4) Uani 1 1 d . U . . .
C6 C 0.8230(6) 0.3313(6) 0.3274(6) 0.048(4) Uani 1 1 d . U . . .
O22 O 0.5221(6) 0.0889(6) 0.0981(5) 0.090(4) Uani 1 1 d . U . . .
C28 C 0.6898(5) 0.2109(5) 0.2088(5) 0.040(3) Uani 1 1 d . U . . .
O21 O 0.4688(6) 0.1415(5) 0.1484(6) 0.090(4) Uani 1 1 d . U . . .
C43 C 0.1948(6) 0.2273(6) 0.3349(6) 0.047(4) Uani 1 1 d . U . . .
C50 C 0.3728(6) 0.1660(6) 0.2402(6) 0.048(4) Uani 1 1 d . U . . .
C33 C 0.3275(6) 0.3461(6) 0.3287(5) 0.041(3) Uani 1 1 d . U . . .
C27 C 0.6481(6) 0.1696(5) 0.2093(6) 0.043(3) Uani 1 1 d . U . . .
C8 C 0.7646(5) 0.2742(5) 0.2561(5) 0.036(3) Uani 1 1 d . U . . .
C2 C 0.8947(6) 0.2915(6) 0.3943(6) 0.049(4) Uani 1 1 d . U . . .
O30 O 0.0421(6) 0.1406(6) 0.1310(5) 0.088(4) Uani 1 1 d . U . . .
C58 C 0.0916(6) 0.2851(7) 0.0850(6) 0.048(4) Uani 1 1 d . U . . .
C10 C 0.6945(6) 0.3393(6) 0.2979(5) 0.042(3) Uani 1 1 d . U . . .
C14 C 0.7029(6) 0.3487(6) 0.2026(5) 0.042(3) Uani 1 1 d . U . . .
C40 C 0.1584(6) 0.3220(6) 0.3832(6) 0.051(4) Uani 1 1 d . U . . .
C35 C 0.3261(6) 0.3475(6) 0.2319(6) 0.046(3) Uani 1 1 d . U . . .
C46 C 0.3228(6) 0.2073(6) 0.3303(6) 0.045(3) Uani 1 1 d . U . . .
C23 C 0.7210(5) 0.2259(5) 0.2568(5) 0.039(3) Uani 1 1 d . U . . .
C57 C 0.2005(6) 0.2294(6) 0.1976(5) 0.044(3) Uani 1 1 d . U . . .
C12 C 0.6354(6) 0.4066(6) 0.2468(6) 0.046(3) Uani 1 1 d . U . . .
O9 O 0.4204(7) 0.5547(6) 0.0880(5) 0.103(4) Uani 1 1 d . U . . .
C53 C 0.1961(6) 0.3259(6) 0.2053(6) 0.047(4) Uani 1 1 d . U . . .
C4 C 0.8400(6) 0.2332(5) 0.3280(6) 0.045(3) Uani 1 1 d . U . . .
C17 C 0.8307(6) 0.3169(6) 0.1894(6) 0.045(3) Uani 1 1 d . U . . .
C21 C 0.8202(6) 0.2186(6) 0.1894(5) 0.043(3) Uani 1 1 d . U . . .
C32 C 0.3700(6) 0.3877(6) 0.3311(6) 0.053(4) Uani 1 1 d . U . . .
C25 C 0.6659(6) 0.1593(6) 0.3064(6) 0.048(4) Uani 1 1 d . U . . .
C13 C 0.6603(6) 0.3901(6) 0.2006(6) 0.050(4) Uani 1 1 d . U . . .
C24 C 0.7091(6) 0.2003(6) 0.3071(6) 0.049(4) Uani 1 1 d . U . . .
C7 C 0.8655(6) 0.3370(6) 0.3713(6) 0.051(4) Uani 1 1 d . U . . .
C19 C 0.8863(6) 0.2611(6) 0.1301(5) 0.044(3) Uani 1 1 d . U . . .
C18 C 0.8711(6) 0.3124(6) 0.1500(6) 0.048(4) Uani 1 1 d . U . . .
C11 C 0.6527(6) 0.3805(6) 0.2952(6) 0.048(4) Uani 1 1 d . U . . .
C20 C 0.8616(6) 0.2151(6) 0.1502(6) 0.052(4) Uani 1 1 d . U . . .
N7 N 0.3733(8) 0.5283(8) 0.0991(7) 0.092(5) Uani 1 1 d . U . . .
O27 O 0.1253(7) 0.1287(7) 0.0557(7) 0.113(5) Uani 1 1 d . U . . .
O26 O 0.0694(9) 0.0782(7) 0.0009(8) 0.137(6) Uani 1 1 d . U . . .
N1 N 1.0418(8) 0.1170(8) 0.4046(7) 0.093(5) Uani 1 1 d . U . . .
O7 O 1.0676(8) 0.1000(8) 0.3644(7) 0.151(7) Uani 1 1 d . U . . .
N3 N 0.5011(9) 0.1378(8) 0.1119(8) 0.101(5) Uani 1 1 d . U . . .
O23 O 0.5247(10) 0.1775(7) 0.0889(8) 0.155(7) Uani 1 1 d . U . . .
O11 O 0.3251(7) 0.5449(8) 0.0767(8) 0.163(8) Uani 1 1 d . U . . .
N8 N 0.4891(12) 0.3200(11) 0.1546(12) 0.155(9) Uani 1 1 d . U . . .
O28 O 0.1620(10) 0.0621(10) 0.0070(10) 0.204(10) Uani 1 1 d . U . . .
N5 N 0.1216(11) 0.0920(10) 0.0259(10) 0.129(7) Uani 1 1 d . U . . .
C68 C 0.5029(15) 0.3760(16) 0.1477(15) 0.171(13) Uani 1 1 d . U . . .
C69 C 0.4347(17) 0.3045(15) 0.1193(16) 0.188(14) Uani 1 1 d . U . . .
C65 C 0.0035(13) 0.1379(12) 0.1619(13) 0.131(9) Uani 1 1 d . U . . .
N6 N 0.0194(16) 0.1269(15) 0.2153(16) 0.220(14) Uani 1 1 d . U . . .
C67 C -0.038(2) 0.127(2) 0.254(2) 0.29(3) Uani 1 1 d . U . . .
C66 C 0.082(2) 0.097(2) 0.232(2) 0.27(2) Uani 1 1 d . U . . .
C59 C 0.8736(11) 0.1256(10) 0.4982(10) 0.114(8) Uani 1 1 d . U . . .
N2 N 0.8195(10) 0.1090(10) 0.4786(10) 0.139(7) Uani 1 1 d . U . . .
C61 C 0.8014(14) 0.1051(14) 0.4207(13) 0.163(11) Uani 1 1 d . U . . .
N4 N 0.2788(12) 0.0366(12) 0.1362(11) 0.160(9) Uani 1 1 d . U . . .
C62 C 0.3387(14) 0.0273(13) 0.1371(13) 0.140(10) Uani 1 1 d . U . . .
C64 C 0.2501(18) 0.0897(18) 0.1460(18) 0.223(17) Uani 1 1 d . U . . .
C63 C 0.2324(16) -0.0091(16) 0.1209(17) 0.198(15) Uani 1 1 d . U . . .
C60 C 0.7710(19) 0.0911(19) 0.5252(18) 0.239(18) Uani 1 1 d . U . . .
C70 C 0.512(4) 0.272(3) 0.192(3) 0.42(4) 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
Tb3 O15 2.318(10) . ?
Tb3 O25 2.359(9) 2_655 ?
Tb3 O13 2.392(9) . ?
Tb3 O20 2.401(9) 2_655 ?
Tb3 O8 2.464(11) . ?
Tb3 O12 2.485(10) . ?
Tb3 O9 2.528(13) . ?
Tb3 O10 2.535(13) . ?
Tb3 O19 2.875(10) 2_655 ?
Tb3 N7 2.891(17) . ?
Tb3 C49 3.014(13) 2_655 ?
Tb2 O19 2.315(10) . ?
Tb2 O14 2.380(10) 2_645 ?
Tb2 O16 2.378(10) 2_645 ?
Tb2 O24 2.378(9) . ?
Tb2 O17 2.445(14) . ?
Tb2 O18 2.446(12) . ?
Tb2 O22 2.513(12) . ?
Tb2 O21 2.537(13) . ?
Tb2 N3 2.903(19) . ?
Tb1 O3 2.315(10) . ?
Tb1 O33 2.345(9) 1_655 ?
Tb1 O32 2.369(10) 4_666 ?
Tb1 O35 2.389(9) 4_566 ?
Tb1 O2 2.422(11) . ?
Tb1 O1 2.492(14) . ?
Tb1 O6 2.513(13) . ?
Tb1 O5 2.539(13) . ?
Tb1 N1 2.873(17) . ?
Tb1 C58 3.019(15) 4_666 ?
Tb4 O31 2.341(11) . ?
Tb4 O34 2.371(9) 4_565 ?
Tb4 O36 2.376(9) 1_455 ?
Tb4 O29 2.428(14) . ?
Tb4 O4 2.409(10) 4_465 ?
Tb4 O30 2.454(12) . ?
Tb4 O27 2.537(15) . ?
Tb4 O26 2.519(17) . ?
Tb4 N5 2.90(2) . ?
Tb4 O3 2.916(10) 4_465 ?
Tb4 C1 3.034(12) 4_465 ?
O13 C15 1.250(17) . ?
O34 C38 1.241(16) . ?
O34 Tb4 2.371(9) 4_566 ?
O25 C29 1.277(16) . ?
O25 Tb3 2.359(9) 2_645 ?
O31 C58 1.243(17) . ?
O35 C22 1.251(16) . ?
O35 Tb1 2.389(9) 4_565 ?
O24 C29 1.266(16) . ?
O19 C49 1.276(16) . ?
O19 Tb3 2.875(10) 2_645 ?
O15 C30 1.288(16) . ?
O33 C38 1.272(16) . ?
O33 Tb1 2.345(9) 1_455 ?
O36 C22 1.245(17) . ?
O36 Tb4 2.376(9) 1_655 ?
O14 C15 1.223(17) . ?
O14 Tb2 2.380(10) 2_655 ?
O20 C49 1.265(16) . ?
O20 Tb3 2.401(9) 2_645 ?
O3 C1 1.269(16) . ?
O3 Tb4 2.916(10) 4_666 ?
O4 C1 1.242(16) . ?
O4 Tb4 2.409(10) 4_666 ?
O16 C30 1.236(16) . ?
O16 Tb2 2.378(10) 2_655 ?
O12 C68 1.22(4) . ?
O32 C58 1.245(17) . ?
O32 Tb1 2.369(10) 4_465 ?
C42 C41 1.375(18) . ?
C42 C43 1.387(18) . ?
C42 C37 1.533(16) . ?
C34 C33 1.366(17) . ?
C34 C35 1.415(17) . ?
C34 C37 1.568(16) . ?
C31 C36 1.362(18) . ?
C31 C32 1.364(18) . ?
C31 C30 1.512(18) . ?
O2 C59 1.16(2) . ?
C45 C46 1.360(18) . ?
C45 C51 1.403(17) . ?
C45 C37 1.563(16) . ?
O18 C62 1.22(3) . ?
C38 C39 1.501(18) . ?
C37 C52 1.577(17) . ?
O5 N1 1.22(2) . ?
C48 C47 1.400(19) . ?
C48 C50 1.387(19) . ?
C48 C49 1.511(18) . ?
C55 C56 1.363(19) . ?
C55 C54 1.403(18) . ?
C55 C58 1.553(19) . ?
C49 Tb3 3.014(13) 2_645 ?
C39 C44 1.381(18) . ?
C39 C40 1.391(19) . ?
C56 C57 1.419(19) . ?
O6 N1 1.27(2) . ?
C5 C6 1.402(18) . ?
C5 C4 1.434(17) . ?
C5 C8 1.532(17) . ?
C52 C53 1.344(18) . ?
C52 C57 1.398(18) . ?
C22 C19 1.493(19) . ?
C1 C2 1.477(18) . ?
C1 Tb4 3.034(12) 4_666 ?
C36 C35 1.410(19) . ?
C51 C50 1.410(18) . ?
C16 C17 1.397(18) . ?
C16 C21 1.425(18) . ?
C16 C8 1.531(17) . ?
C54 C53 1.439(19) . ?
C26 C25 1.411(18) . ?
C26 C27 1.391(18) . ?
C26 C29 1.511(18) . ?
C15 C12 1.511(19) . ?
C47 C46 1.398(19) . ?
C41 C40 1.414(18) . ?
C3 C4 1.382(19) . ?
C3 C2 1.41(2) . ?
C9 C14 1.354(18) . ?
C9 C10 1.408(18) . ?
C9 C8 1.591(17) . ?
C44 C43 1.441(18) . ?
O10 N7 1.19(2) . ?
C6 C7 1.407(19) . ?
O22 N3 1.35(2) . ?
C28 C27 1.391(18) . ?
C28 C23 1.387(18) . ?
O21 N3 1.22(2) . ?
C33 C32 1.408(19) . ?
C8 C23 1.550(17) . ?
C2 C7 1.40(2) . ?
O30 C65 1.22(3) . ?
C58 Tb1 3.019(15) 4_465 ?
C10 C11 1.389(18) . ?
C14 C13 1.408(19) . ?
C23 C24 1.440(19) . ?
C12 C11 1.389(19) . ?
C12 C13 1.379(19) . ?
O9 N7 1.31(2) . ?
C17 C18 1.402(18) . ?
C21 C20 1.415(18) . ?
C25 C24 1.410(19) . ?
C19 C20 1.371(19) . ?
C19 C18 1.404(19) . ?
N7 O11 1.26(2) . ?
O27 N5 1.16(2) . ?
O26 N5 1.34(3) . ?
N1 O7 1.27(2) . ?
N3 O23 1.27(2) . ?
N8 C70 1.56(8) . ?
N8 C68 1.42(4) . ?
N8 C69 1.51(4) . ?
O28 N5 1.30(3) . ?
C65 N6 1.37(4) . ?
N6 C66 1.63(5) . ?
N6 C67 1.69(6) . ?
C59 N2 1.36(3) . ?
N2 C61 1.46(3) . ?
N2 C60 1.72(4) . ?
N4 C62 1.39(3) . ?
N4 C64 1.49(4) . ?
N4 C63 1.57(4) . ?
 
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
O15 Tb3 O25 77.6(3) . 2_655 ?
O15 Tb3 O13 79.1(3) . . ?
O25 Tb3 O13 132.3(3) 2_655 . ?
O15 Tb3 O20 127.8(3) . 2_655 ?
O25 Tb3 O20 79.9(3) 2_655 2_655 ?
O13 Tb3 O20 82.5(3) . 2_655 ?
O15 Tb3 O8 147.7(4) . . ?
O25 Tb3 O8 134.6(4) 2_655 . ?
O13 Tb3 O8 78.3(4) . . ?
O20 Tb3 O8 71.2(4) 2_655 . ?
O15 Tb3 O12 79.1(4) . . ?
O25 Tb3 O12 137.8(3) 2_655 . ?
O13 Tb3 O12 75.7(3) . . ?
O20 Tb3 O12 141.2(3) 2_655 . ?
O8 Tb3 O12 73.1(4) . . ?
O15 Tb3 O9 129.9(4) . . ?
O25 Tb3 O9 70.3(4) 2_655 . ?
O13 Tb3 O9 150.0(4) . . ?
O20 Tb3 O9 83.5(5) 2_655 . ?
O8 Tb3 O9 72.1(4) . . ?
O12 Tb3 O9 99.8(5) . . ?
O15 Tb3 O10 83.5(4) . . ?
O25 Tb3 O10 72.8(4) 2_655 . ?
O13 Tb3 O10 143.9(4) . . ?
O20 Tb3 O10 132.3(4) 2_655 . ?
O8 Tb3 O10 101.8(4) . . ?
O12 Tb3 O10 70.0(4) . . ?
O9 Tb3 O10 50.9(5) . . ?
O15 Tb3 O19 79.2(3) . 2_655 ?
O25 Tb3 O19 67.6(3) 2_655 2_655 ?
O13 Tb3 O19 67.5(3) . 2_655 ?
O20 Tb3 O19 48.6(3) 2_655 2_655 ?
O8 Tb3 O19 112.4(3) . 2_655 ?
O12 Tb3 O19 140.1(3) . 2_655 ?
O9 Tb3 O19 119.8(4) . 2_655 ?
O10 Tb3 O19 139.2(4) . 2_655 ?
O15 Tb3 N7 105.1(5) . . ?
O25 Tb3 N7 67.7(4) 2_655 . ?
O13 Tb3 N7 159.5(4) . . ?
O20 Tb3 N7 108.8(5) 2_655 . ?
O8 Tb3 N7 89.0(5) . . ?
O12 Tb3 N7 85.3(5) . . ?
O9 Tb3 N7 26.8(5) . . ?
O10 Tb3 N7 24.2(4) . . ?
O19 Tb3 N7 132.8(4) 2_655 . ?
O15 Tb3 C49 104.1(4) . 2_655 ?
O25 Tb3 C49 72.4(3) 2_655 2_655 ?
O13 Tb3 C49 73.9(3) . 2_655 ?
O20 Tb3 C49 23.7(3) 2_655 2_655 ?
O8 Tb3 C49 91.4(4) . 2_655 ?
O12 Tb3 C49 148.1(4) . 2_655 ?
O9 Tb3 C49 101.7(5) . 2_655 ?
O10 Tb3 C49 141.6(4) . 2_655 ?
O19 Tb3 C49 24.9(3) 2_655 2_655 ?
N7 Tb3 C49 123.0(5) . 2_655 ?
O19 Tb2 O14 78.3(3) . 2_645 ?
O19 Tb2 O16 125.1(4) . 2_645 ?
O14 Tb2 O16 82.7(4) 2_645 2_645 ?
O19 Tb2 O24 76.2(3) . . ?
O14 Tb2 O24 130.6(3) 2_645 . ?
O16 Tb2 O24 78.5(4) 2_645 . ?
O19 Tb2 O17 148.4(4) . . ?
O14 Tb2 O17 77.7(4) 2_645 . ?
O16 Tb2 O17 71.4(4) 2_645 . ?
O24 Tb2 O17 135.4(4) . . ?
O19 Tb2 O18 81.1(4) . . ?
O14 Tb2 O18 76.4(4) 2_645 . ?
O16 Tb2 O18 142.1(4) 2_645 . ?
O24 Tb2 O18 138.5(4) . . ?
O17 Tb2 O18 73.4(5) . . ?
O19 Tb2 O22 129.4(4) . . ?
O14 Tb2 O22 151.2(4) 2_645 . ?
O16 Tb2 O22 85.2(4) 2_645 . ?
O24 Tb2 O22 71.5(4) . . ?
O17 Tb2 O22 73.8(4) . . ?
O18 Tb2 O22 98.3(5) . . ?
O19 Tb2 O21 81.1(4) . . ?
O14 Tb2 O21 143.5(4) 2_645 . ?
O16 Tb2 O21 133.6(4) 2_645 . ?
O24 Tb2 O21 71.6(4) . . ?
O17 Tb2 O21 107.1(5) . . ?
O18 Tb2 O21 70.8(5) . . ?
O22 Tb2 O21 52.2(4) . . ?
O19 Tb2 N3 103.7(5) . . ?
O14 Tb2 N3 160.1(5) 2_645 . ?
O16 Tb2 N3 110.6(5) 2_645 . ?
O24 Tb2 N3 68.2(4) . . ?
O17 Tb2 N3 92.3(5) . . ?
O18 Tb2 N3 84.4(5) . . ?
O22 Tb2 N3 27.6(5) . . ?
O21 Tb2 N3 24.7(4) . . ?
O3 Tb1 O33 74.3(3) . 1_655 ?
O3 Tb1 O32 125.0(4) . 4_666 ?
O33 Tb1 O32 80.5(4) 1_655 4_666 ?
O3 Tb1 O35 78.3(3) . 4_566 ?
O33 Tb1 O35 130.4(3) 1_655 4_566 ?
O32 Tb1 O35 82.6(4) 4_666 4_566 ?
O3 Tb1 O2 80.1(4) . . ?
O33 Tb1 O2 136.1(4) 1_655 . ?
O32 Tb1 O2 142.9(4) 4_666 . ?
O35 Tb1 O2 76.1(4) 4_566 . ?
O3 Tb1 O1 149.4(4) . . ?
O33 Tb1 O1 136.3(4) 1_655 . ?
O32 Tb1 O1 71.0(4) 4_666 . ?
O35 Tb1 O1 78.6(4) 4_566 . ?
O2 Tb1 O1 75.1(4) . . ?
O3 Tb1 O6 130.9(4) . . ?
O33 Tb1 O6 71.2(4) 1_655 . ?
O32 Tb1 O6 82.2(4) 4_666 . ?
O35 Tb1 O6 150.5(4) 4_566 . ?
O2 Tb1 O6 102.0(5) . . ?
O1 Tb1 O6 72.6(4) . . ?
O3 Tb1 O5 85.5(4) . . ?
O33 Tb1 O5 71.9(4) 1_655 . ?
O32 Tb1 O5 131.0(4) 4_666 . ?
O35 Tb1 O5 145.4(4) 4_566 . ?
O2 Tb1 O5 71.1(4) . . ?
O1 Tb1 O5 102.8(5) . . ?
O6 Tb1 O5 51.1(5) . . ?
O3 Tb1 N1 107.2(5) . . ?
O33 Tb1 N1 67.6(4) 1_655 . ?
O32 Tb1 N1 106.8(5) 4_666 . ?
O35 Tb1 N1 161.6(4) 4_566 . ?
O2 Tb1 N1 87.4(5) . . ?
O1 Tb1 N1 89.4(5) . . ?
O6 Tb1 N1 26.3(5) . . ?
O5 Tb1 N1 25.0(4) . . ?
O3 Tb1 C58 102.2(4) . 4_666 ?
O33 Tb1 C58 72.8(4) 1_655 4_666 ?
O32 Tb1 C58 22.9(4) 4_666 4_666 ?
O35 Tb1 C58 73.8(4) 4_566 4_666 ?
O2 Tb1 C58 148.6(4) . 4_666 ?
O1 Tb1 C58 90.3(4) . 4_666 ?
O6 Tb1 C58 99.8(4) . 4_666 ?
O5 Tb1 C58 140.1(4) . 4_666 ?
N1 Tb1 C58 120.7(5) . 4_666 ?
O31 Tb4 O34 78.1(3) . 4_565 ?
O31 Tb4 O36 77.7(3) . 1_455 ?
O34 Tb4 O36 132.3(3) 4_565 1_455 ?
O31 Tb4 O29 145.2(4) . . ?
O34 Tb4 O29 136.3(4) 4_565 . ?
O36 Tb4 O29 79.2(5) 1_455 . ?
O31 Tb4 O4 126.5(4) . 4_465 ?
O34 Tb4 O4 78.0(4) 4_565 4_465 ?
O36 Tb4 O4 84.4(4) 1_455 4_465 ?
O29 Tb4 O4 76.2(5) . 4_465 ?
O31 Tb4 O30 78.5(4) . . ?
O34 Tb4 O30 136.3(4) 4_565 . ?
O36 Tb4 O30 76.6(4) 1_455 . ?
O29 Tb4 O30 71.0(5) . . ?
O4 Tb4 O30 144.5(4) 4_465 . ?
O31 Tb4 O27 79.0(5) . . ?
O34 Tb4 O27 71.7(4) 4_565 . ?
O36 Tb4 O27 140.6(4) 1_455 . ?
O29 Tb4 O27 103.9(6) . . ?
O4 Tb4 O27 134.8(5) 4_465 . ?
O30 Tb4 O27 67.9(5) . . ?
O31 Tb4 O26 127.0(5) . . ?
O34 Tb4 O26 71.2(5) 4_565 . ?
O36 Tb4 O26 152.4(5) 1_455 . ?
O29 Tb4 O26 73.2(6) . . ?
O4 Tb4 O26 88.1(5) 4_465 . ?
O30 Tb4 O26 95.0(6) . . ?
O27 Tb4 O26 51.0(6) . . ?
O31 Tb4 N5 100.6(6) . . ?
O34 Tb4 N5 67.4(5) 4_565 . ?
O36 Tb4 N5 157.8(5) 1_455 . ?
O29 Tb4 N5 91.3(6) . . ?
O4 Tb4 N5 113.0(6) 4_465 . ?
O30 Tb4 N5 81.3(6) . . ?
O27 Tb4 N5 23.5(5) . . ?
O26 Tb4 N5 27.6(6) . . ?
O31 Tb4 O3 79.2(3) . 4_465 ?
O34 Tb4 O3 67.6(3) 4_565 4_465 ?
O36 Tb4 O3 67.8(3) 1_455 4_465 ?
O29 Tb4 O3 115.2(4) . 4_465 ?
O4 Tb4 O3 47.4(3) 4_465 4_465 ?
O30 Tb4 O3 141.2(4) . 4_465 ?
O27 Tb4 O3 136.9(4) . 4_465 ?
O26 Tb4 O3 123.7(5) . 4_465 ?
N5 Tb4 O3 134.0(5) . 4_465 ?
O31 Tb4 C1 103.7(4) . 4_465 ?
O34 Tb4 C1 71.5(3) 4_565 4_465 ?
O36 Tb4 C1 75.2(4) 1_455 4_465 ?
O29 Tb4 C1 95.1(4) . 4_465 ?
O4 Tb4 C1 22.9(4) 4_465 4_465 ?
O30 Tb4 C1 150.5(4) . 4_465 ?
O27 Tb4 C1 141.6(4) . 4_465 ?
O26 Tb4 C1 105.9(5) . 4_465 ?
N5 Tb4 C1 126.0(6) . 4_465 ?
O3 Tb4 C1 24.5(3) 4_465 4_465 ?
C15 O13 Tb3 134.9(9) . . ?
C38 O34 Tb4 135.9(9) . 4_566 ?
C29 O25 Tb3 138.7(9) . 2_645 ?
C58 O31 Tb4 179.1(10) . . ?
C22 O35 Tb1 138.2(9) . 4_565 ?
C29 O24 Tb2 138.5(9) . . ?
C49 O19 Tb2 173.5(9) . . ?
C49 O19 Tb3 83.7(8) . 2_645 ?
Tb2 O19 Tb3 102.6(3) . 2_645 ?
C30 O15 Tb3 176.0(9) . . ?
C38 O33 Tb1 141.0(9) . 1_455 ?
C22 O36 Tb4 140.1(9) . 1_655 ?
C15 O14 Tb2 138.9(10) . 2_655 ?
C49 O20 Tb3 106.4(8) . 2_645 ?
C1 O3 Tb1 174.1(9) . . ?
C1 O3 Tb4 83.0(8) . 4_666 ?
Tb1 O3 Tb4 102.5(3) . 4_666 ?
C1 O4 Tb4 108.1(9) . 4_666 ?
C30 O16 Tb2 109.2(9) . 2_655 ?
C68 O12 Tb3 126.8(19) . . ?
C58 O32 Tb1 109.3(9) . 4_465 ?
C41 C42 C43 119.5(11) . . ?
C41 C42 C37 122.4(11) . . ?
C43 C42 C37 117.8(11) . . ?
C33 C34 C35 118.9(11) . . ?
C33 C34 C37 120.9(11) . . ?
C35 C34 C37 119.9(11) . . ?
C36 C31 C32 119.5(12) . . ?
C36 C31 C30 121.3(12) . . ?
C32 C31 C30 119.1(12) . . ?
C59 O2 Tb1 124.8(15) . . ?
C46 C45 C51 119.0(12) . . ?
C46 C45 C37 119.4(11) . . ?
C51 C45 C37 121.4(11) . . ?
C62 O18 Tb2 121.6(17) . . ?
O34 C38 O33 126.4(13) . . ?
O34 C38 C39 118.5(13) . . ?
O33 C38 C39 115.1(13) . . ?
C42 C37 C52 104.1(9) . . ?
C42 C37 C45 113.0(10) . . ?
C52 C37 C45 114.3(10) . . ?
C42 C37 C34 113.6(10) . . ?
C52 C37 C34 111.6(9) . . ?
C45 C37 C34 100.7(8) . . ?
N1 O5 Tb1 93.1(11) . . ?
C47 C48 C50 119.5(13) . . ?
C47 C48 C49 119.5(13) . . ?
C50 C48 C49 121.0(12) . . ?
O16 C30 O15 122.4(13) . . ?
O16 C30 C31 119.5(12) . . ?
O15 C30 C31 118.0(13) . . ?
C56 C55 C54 123.6(12) . . ?
C56 C55 C58 122.1(12) . . ?
C54 C55 C58 114.2(12) . . ?
O20 C49 O19 121.3(12) . . ?
O20 C49 C48 119.8(12) . . ?
O19 C49 C48 118.7(12) . . ?
O20 C49 Tb3 49.8(6) . 2_645 ?
O19 C49 Tb3 71.4(7) . 2_645 ?
C48 C49 Tb3 168.9(10) . 2_645 ?
C44 C39 C40 119.8(12) . . ?
C44 C39 C38 119.1(12) . . ?
C40 C39 C38 121.2(12) . . ?
C55 C56 C57 118.0(13) . . ?
N1 O6 Tb1 92.9(11) . . ?
C6 C5 C4 118.1(12) . . ?
C6 C5 C8 120.4(11) . . ?
C4 C5 C8 121.0(11) . . ?
C53 C52 C57 120.0(12) . . ?
C53 C52 C37 118.8(11) . . ?
C57 C52 C37 120.3(11) . . ?
O35 C22 O36 125.0(13) . . ?
O35 C22 C19 116.5(13) . . ?
O36 C22 C19 118.5(13) . . ?
O4 C1 O3 121.5(12) . . ?
O4 C1 C2 118.5(13) . . ?
O3 C1 C2 120.0(13) . . ?
O4 C1 Tb4 49.0(7) . 4_666 ?
O3 C1 Tb4 72.5(7) . 4_666 ?
C2 C1 Tb4 167.4(10) . 4_666 ?
C31 C36 C35 121.0(12) . . ?
C45 C51 C50 120.6(12) . . ?
C17 C16 C21 118.3(12) . . ?
C17 C16 C8 121.4(12) . . ?
C21 C16 C8 120.0(11) . . ?
C55 C54 C53 115.7(12) . . ?
C25 C26 C27 119.6(12) . . ?
C25 C26 C29 120.4(12) . . ?
C27 C26 C29 120.0(12) . . ?
O13 C15 O14 126.2(14) . . ?
O13 C15 C12 115.4(13) . . ?
O14 C15 C12 118.2(13) . . ?
C48 C47 C46 119.9(14) . . ?
C42 C41 C40 120.2(12) . . ?
C4 C3 C2 122.1(13) . . ?
C14 C9 C10 120.2(12) . . ?
C14 C9 C8 123.9(11) . . ?
C10 C9 C8 115.6(11) . . ?
O25 C29 O24 125.0(13) . . ?
O25 C29 C26 117.3(12) . . ?
O24 C29 C26 117.6(12) . . ?
C39 C44 C43 119.0(12) . . ?
N7 O10 Tb3 94.9(12) . . ?
C5 C6 C7 120.9(13) . . ?
N3 O22 Tb2 92.5(11) . . ?
C27 C28 C23 119.5(12) . . ?
N3 O21 Tb2 94.7(12) . . ?
C42 C43 C44 120.7(12) . . ?
C48 C50 C51 119.5(12) . . ?
C34 C33 C32 120.3(12) . . ?
C28 C27 C26 121.8(12) . . ?
C5 C8 C16 103.3(10) . . ?
C5 C8 C23 115.6(10) . . ?
C16 C8 C23 112.7(10) . . ?
C5 C8 C9 112.1(10) . . ?
C16 C8 C9 113.1(10) . . ?
C23 C8 C9 100.5(9) . . ?
C7 C2 C3 117.9(13) . . ?
C7 C2 C1 120.4(13) . . ?
C3 C2 C1 121.6(13) . . ?
C65 O30 Tb4 121.9(17) . . ?
O32 C58 O31 123.9(14) . . ?
O32 C58 C55 118.7(13) . . ?
O31 C58 C55 117.3(14) . . ?
O32 C58 Tb1 47.8(7) . 4_465 ?
O31 C58 Tb1 76.2(8) . 4_465 ?
C55 C58 Tb1 166.1(10) . 4_465 ?
C9 C10 C11 118.8(12) . . ?
C9 C14 C13 120.2(12) . . ?
C41 C40 C39 120.8(13) . . ?
C34 C35 C36 119.1(13) . . ?
C45 C46 C47 121.5(13) . . ?
C28 C23 C24 120.4(12) . . ?
C28 C23 C8 118.7(11) . . ?
C24 C23 C8 120.6(11) . . ?
C52 C57 C56 120.3(12) . . ?
C11 C12 C13 118.2(13) . . ?
C11 C12 C15 119.2(13) . . ?
C13 C12 C15 122.6(13) . . ?
N7 O9 Tb3 92.3(11) . . ?
C52 C53 C54 122.1(13) . . ?
C3 C4 C5 119.7(13) . . ?
C16 C17 C18 120.8(13) . . ?
C20 C21 C16 119.8(12) . . ?
C31 C32 C33 121.1(13) . . ?
C26 C25 C24 119.9(13) . . ?
C14 C13 C12 120.9(13) . . ?
C25 C24 C23 118.8(13) . . ?
C2 C7 C6 121.0(14) . . ?
C20 C19 C18 119.2(12) . . ?
C20 C19 C22 118.7(13) . . ?
C18 C19 C22 122.0(13) . . ?
C17 C18 C19 120.8(13) . . ?
C12 C11 C10 121.6(13) . . ?
C19 C20 C21 121.2(13) . . ?
O10 N7 O11 121(2) . . ?
O10 N7 O9 121.3(17) . . ?
O11 N7 O9 117(2) . . ?
O10 N7 Tb3 60.9(10) . . ?
O11 N7 Tb3 167.7(15) . . ?
O9 N7 Tb3 60.9(9) . . ?
N5 O27 Tb4 96.0(16) . . ?
N5 O26 Tb4 92.1(15) . . ?
O5 N1 O7 120(2) . . ?
O5 N1 O6 122.3(17) . . ?
O7 N1 O6 117(2) . . ?
O5 N1 Tb1 61.9(10) . . ?
O7 N1 Tb1 166.5(15) . . ?
O6 N1 Tb1 60.9(9) . . ?
O21 N3 O23 126(2) . . ?
O21 N3 O22 120.3(18) . . ?
O23 N3 O22 113(2) . . ?
O21 N3 Tb2 60.6(10) . . ?
O23 N3 Tb2 165.6(17) . . ?
O22 N3 Tb2 59.9(9) . . ?
C70 N8 C68 137(4) . . ?
C70 N8 C69 112(4) . . ?
C68 N8 C69 111(3) . . ?
O27 N5 O28 130(3) . . ?
O27 N5 O26 120(2) . . ?
O28 N5 O26 109(3) . . ?
O27 N5 Tb4 60.5(14) . . ?
O28 N5 Tb4 163(2) . . ?
O26 N5 Tb4 60.3(12) . . ?
O12 C68 N8 125(3) . . ?
O30 C65 N6 118(3) . . ?
C65 N6 C66 119(4) . . ?
C65 N6 C67 113(4) . . ?
C66 N6 C67 125(4) . . ?
O2 C59 N2 120(2) . . ?
C59 N2 C61 123(2) . . ?
C59 N2 C60 117(3) . . ?
C61 N2 C60 120(2) . . ?
C62 N4 C64 126(3) . . ?
C62 N4 C63 122(3) . . ?
C64 N4 C63 111(3) . . ?
O18 C62 N4 122(3) . . ?
 
_refine_diff_density_max    4.731
_refine_diff_density_min   -1.388
_refine_diff_density_rms    0.183

_shelxl_version_number 2014-3




