#------------------------------------------------------------------------------
#$Date: 2023-04-20 14:53:48 +0300 (Thu, 20 Apr 2023) $
#$Revision: 282777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/68/1546871.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1546871
loop_
_publ_author_name
'Jiang, Lin'
'Liu, Yue'
'Liu, Xin'
'Tian, Jinlei'
'Yan, Shiping'
_publ_section_title
;
 Three series of heterometallic Ni II --Ln III
 Schiff base complexes: synthesis, crystal structures and magnetic
 characterization
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              12558
_journal_page_last               12573
_journal_paper_doi               10.1039/C7DT02351K
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C48 H58 N4 Ni2 O22 Tb2'
_chemical_formula_sum            'C48 H58 N4 Ni2 O22 Tb2'
_chemical_formula_weight         1478.24
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2017-07-31
_audit_creation_method
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_audit_update_record
;
2017-08-14 deposited with the CCDC.
2017-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.61(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.950(3)
_cell_length_b                   14.299(3)
_cell_length_c                   17.450(4)
_cell_measurement_reflns_used    7789
_cell_measurement_temperature    130.45(10)
_cell_measurement_theta_max      28.7570
_cell_measurement_theta_min      3.2370
_cell_volume                     3230.0(13)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies,Version 1.171.36.28'
_computing_data_collection
'CrysAlisPro, Agilent Technologies,Version 1.171.36.28'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies,Version 1.171.36.28'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      130.45(10)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12736
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.007
_diffrn_reflns_theta_max         25.007
_diffrn_reflns_theta_min         3.079
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.806
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_description       prism
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.570
_refine_diff_density_min         -1.668
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         5690
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0540P)²+0.6438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1046
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5052
_reflns_number_total             5690
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02351k2.cif
_cod_data_source_block           p140118e_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               1546871
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  H6 of C6, {H22A,H22B} of C22, H12 of C12, H4 of C4, H5 of C5, {H9A,H9B} of
  C9, {H11A,H11B} of C11, H10 of C10, H17 of C17, H16 of C16, H15 of C15, H8 of
  C8
 At 1.5 times of:
  H3 of O3, {H1A,H1B,H1C} of C1, {H23A,H23B,H23C} of C23, {H21A,H21B,H21C} of
  C21, H11 of O11, {H19A,H19B,H19C} of C19
2. Restrained distances
 O11-H11
 0.85 with sigma of 0.01
 C22-H11
 1.901302 with sigma of 0.02
 Ni1-H11
 2.726953 with sigma of 0.02
3. Rigid bond restraints
 C24, O7
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
 C24, O6
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
 C24, O8
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
4.a Ternary CH refined with riding coordinates:
 C10(H10)
4.b Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C9(H9A,H9B), C11(H11A,H11B)
4.c Aromatic/amide H refined with riding coordinates:
 C17(H17), C16(H16), C15(H15), C8(H8), C6(H6), C12(H12), C4(H4), C5(H5)
4.d Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C1(H1A,H1B,H1C), C23(H23A,H23B,H23C), C21(H21A,H21B,H21C)
4.e Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_olex2_submission_special_instructions 'No special instructions were received'
_shelx_shelxl_version_number     2014/7
_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'
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
O7 O 0.2556(2) 0.4869(2) 1.0742(2) 0.0214(7) Uani 1 1 d . U
Tb1 Tb 0.50504(2) 0.64000(2) 1.00827(2) 0.01471(10) Uani 1 1 d . .
Ni1 Ni 0.74591(4) 0.66008(4) 0.93481(3) 0.01738(15) Uani 1 1 d D .
C18 C 0.4478(4) 0.6472(3) 0.8178(3) 0.0184(11) Uani 1 1 d . .
O2 O 0.6780(2) 0.6605(2) 1.03958(18) 0.0182(7) Uani 1 1 d . .
O5 O 0.3954(2) 0.6446(2) 0.88709(19) 0.0202(8) Uani 1 1 d . .
O6 O 0.3316(2) 0.6263(2) 1.06281(19) 0.0196(7) Uani 1 1 d . U
O11 O 0.7457(2) 0.8072(2) 0.93876(19) 0.0233(7) Uani 1 1 d D .
H11 H 0.694(2) 0.8395(14) 0.921(2) 0.035 Uiso 1 1 d D U
O1 O 0.5504(2) 0.6238(2) 1.14861(18) 0.0205(7) Uani 1 1 d . .
O4 O 0.5949(2) 0.6670(2) 0.89799(17) 0.0181(7) Uani 1 1 d . .
N2 N 0.7902(3) 0.6690(3) 0.8233(2) 0.0204(9) Uani 1 1 d . .
C2 C 0.7213(4) 0.6329(3) 1.1063(3) 0.0192(11) Uani 1 1 d . .
O8 O 0.4111(2) 0.50239(19) 1.0225(2) 0.0232(8) Uani 1 1 d . U
C19 C 0.2837(4) 0.6399(4) 0.8807(3) 0.0276(13) Uani 1 1 d . .
H19A H 0.2635 0.5827 0.8556 0.041 Uiso 1 1 calc R U
H19B H 0.2582 0.6921 0.8512 0.041 Uiso 1 1 calc R U
H19C H 0.2555 0.6417 0.9309 0.041 Uiso 1 1 calc R U
C13 C 0.5563(3) 0.6584(3) 0.8278(3) 0.0173(10) Uani 1 1 d . .
N1 N 0.8898(3) 0.6506(3) 0.9876(3) 0.0234(10) Uani 1 1 d . .
C10 C 0.9716(4) 0.6229(4) 0.8596(3) 0.0347(13) Uani 1 1 d . .
H10 H 1.0403 0.6254 0.8375 0.042 Uiso 1 1 calc R U
C24 C 0.3286(3) 0.5376(3) 1.0546(3) 0.0176(8) Uani 1 1 d . U
C17 C 0.4012(4) 0.6393(3) 0.7461(3) 0.0256(12) Uani 1 1 d . .
H17 H 0.3300 0.6315 0.7414 0.031 Uiso 1 1 calc R U
C16 C 0.4602(4) 0.6428(3) 0.6806(3) 0.0300(13) Uani 1 1 d . .
H16 H 0.4287 0.6385 0.6321 0.036 Uiso 1 1 calc R U
C14 C 0.6155(3) 0.6587(3) 0.7616(3) 0.0178(10) Uani 1 1 d . .
C15 C 0.5666(4) 0.6529(4) 0.6886(3) 0.0290(12) Uani 1 1 d . .
H15 H 0.6063 0.6559 0.6451 0.035 Uiso 1 1 calc R U
C8 C 0.9052(4) 0.6308(3) 1.0581(3) 0.0243(12) Uani 1 1 d . .
H8 H 0.9737 0.6217 1.0736 0.029 Uiso 1 1 calc R U
C6 C 0.8660(4) 0.5956(4) 1.1928(3) 0.0269(11) Uani 1 1 d . .
H6 H 0.9366 0.5875 1.2016 0.032 Uiso 1 1 calc R U
C22 C 0.7816(4) 0.8587(3) 1.0057(3) 0.0337(13) Uani 1 1 d D .
H22A H 0.8210 0.8174 1.0396 0.040 Uiso 1 1 calc R U
H22B H 0.7227 0.8815 1.0334 0.040 Uiso 1 1 calc R U
C3 C 0.6562(3) 0.6146(3) 1.1679(3) 0.0196(10) Uani 1 1 d . .
C7 C 0.8296(3) 0.6207(3) 1.1175(3) 0.0210(10) Uani 1 1 d . .
O3 O 0.9407(3) 0.5242(3) 0.8595(3) 0.0544(12) Uani 1 1 d . .
H3 H 0.8907 0.5174 0.8868 0.082 Uiso 1 1 calc R U
C1 C 0.4799(4) 0.6130(4) 1.2111(3) 0.0243(11) Uani 1 1 d . .
H1A H 0.4102 0.6211 1.1922 0.036 Uiso 1 1 calc R U
H1B H 0.4952 0.6591 1.2498 0.036 Uiso 1 1 calc R U
H1C H 0.4877 0.5516 1.2329 0.036 Uiso 1 1 calc R U
C12 C 0.7281(3) 0.6686(3) 0.7638(3) 0.0227(11) Uani 1 1 d . .
H12 H 0.7589 0.6754 0.7166 0.027 Uiso 1 1 calc R U
C4 C 0.6943(4) 0.5925(3) 1.2407(3) 0.0245(11) Uani 1 1 d . .
H4 H 0.6499 0.5840 1.2811 0.029 Uiso 1 1 calc R U
C5 C 0.8016(4) 0.5832(4) 1.2519(3) 0.0299(12) Uani 1 1 d . .
H5 H 0.8287 0.5683 1.3003 0.036 Uiso 1 1 calc R U
C9 C 0.9839(4) 0.6586(4) 0.9414(3) 0.0367(14) Uani 1 1 d . .
H9A H 1.0393 0.6241 0.9670 0.044 Uiso 1 1 calc R U
H9B H 1.0044 0.7238 0.9399 0.044 Uiso 1 1 calc R U
C11 C 0.9016(3) 0.6809(4) 0.8081(3) 0.0362(14) Uani 1 1 d . .
H11A H 0.9197 0.7463 0.8145 0.043 Uiso 1 1 calc R U
H11B H 0.9134 0.6641 0.7552 0.043 Uiso 1 1 calc R U
C23 C 0.8471(5) 0.9387(5) 0.9835(4) 0.0629(19) Uani 1 1 d . .
H23A H 0.8088 0.9785 0.9487 0.094 Uiso 1 1 calc R U
H23B H 0.9076 0.9158 0.9591 0.094 Uiso 1 1 calc R U
H23C H 0.8673 0.9737 1.0285 0.094 Uiso 1 1 calc R U
O9 O 0.4819(3) 0.7959(3) 1.00333(18) 0.0283(8) Uani 1 1 d . .
C20 C 0.4859(4) 0.8643(3) 0.9565(3) 0.0249(12) Uani 1 1 d . .
O10 O 0.5623(3) 0.8835(2) 0.9161(2) 0.0324(9) Uani 1 1 d . .
C21 C 0.3933(4) 0.9271(4) 0.9519(4) 0.0472(16) Uani 1 1 d . .
H21A H 0.3316 0.8898 0.9491 0.071 Uiso 1 1 calc R U
H21B H 0.3966 0.9656 0.9070 0.071 Uiso 1 1 calc R U
H21C H 0.3922 0.9661 0.9967 0.071 Uiso 1 1 calc R U
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'
Ni Ni 0.3393 1.1124 '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'
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
C24 O7 Ni1 124.3(3) . 3_667
Ni1 Tb1 Tb1 94.876(12) . 3_667
O2 Tb1 Tb1 99.94(8) . 3_667
O2 Tb1 Ni1 35.77(8) . .
O2 Tb1 O5 135.78(11) . .
O2 Tb1 O6 143.59(11) . .
O2 Tb1 O1 65.31(11) . .
O2 Tb1 O8 73.48(11) . 3_667
O2 Tb1 O8 125.98(11) . .
O2 Tb1 C24 141.07(12) . .
O5 Tb1 Tb1 87.08(7) . 3_667
O5 Tb1 Ni1 100.49(8) . .
O5 Tb1 C24 79.27(12) . .
O6 Tb1 Tb1 85.44(7) . 3_667
O6 Tb1 Ni1 179.33(8) . .
O6 Tb1 O5 80.11(11) . .
O6 Tb1 O1 78.91(11) . .
O6 Tb1 C24 26.56(11) . .
O1 Tb1 Tb1 89.11(7) . 3_667
O1 Tb1 Ni1 100.50(8) . .
O1 Tb1 O5 158.91(11) . .
O1 Tb1 C24 81.01(12) . .
O4 Tb1 Tb1 97.05(8) . 3_667
O4 Tb1 Ni1 35.58(7) . .
O4 Tb1 O2 70.59(11) . .
O4 Tb1 O5 65.21(10) . .
O4 Tb1 O6 144.98(11) . .
O4 Tb1 O1 135.87(10) . .
O4 Tb1 O8 73.17(11) . 3_667
O4 Tb1 O8 120.45(12) . .
O4 Tb1 C24 138.52(12) . .
O8 Tb1 Tb1 31.09(8) 3_667 3_667
O8 Tb1 Tb1 31.77(8) . 3_667
O8 Tb1 Ni1 63.86(8) 3_667 .
O8 Tb1 Ni1 126.56(8) . .
O8 Tb1 O5 80.08(11) . .
O8 Tb1 O5 94.76(11) 3_667 .
O8 Tb1 O6 53.78(10) . .
O8 Tb1 O6 116.42(10) 3_667 .
O8 Tb1 O1 85.80(11) . .
O8 Tb1 O1 92.61(11) 3_667 .
O8 Tb1 O8 62.86(13) . 3_667
O8 Tb1 C24 27.22(12) . .
O8 Tb1 C24 89.94(12) 3_667 .
C24 Tb1 Tb1 58.89(9) . 3_667
C24 Tb1 Ni1 153.76(9) . .
O9 Tb1 Tb1 168.73(8) . 3_667
O9 Tb1 Ni1 91.39(9) . .
O9 Tb1 O2 90.61(11) . .
O9 Tb1 O5 82.57(11) . .
O9 Tb1 O6 88.40(11) . .
O9 Tb1 O1 98.96(11) . .
O9 Tb1 O4 82.67(12) . .
O9 Tb1 O8 140.46(11) . .
O9 Tb1 O8 154.32(12) . 3_667
O9 Tb1 C24 114.39(13) . .
O7 Ni1 Tb1 86.43(9) 3_667 .
O2 Ni1 O7 93.77(13) . 3_667
O2 Ni1 Tb1 41.17(8) . .
O2 Ni1 O11 88.11(12) . .
O2 Ni1 N1 90.37(15) . .
O11 Ni1 O7 177.56(14) . 3_667
O11 Ni1 Tb1 93.98(8) . .
O4 Ni1 O7 91.04(13) . 3_667
O4 Ni1 Tb1 41.11(9) . .
O4 Ni1 O2 81.36(12) . .
O4 Ni1 O11 87.70(12) . .
O4 Ni1 N2 89.39(14) . .
O4 Ni1 N1 171.67(15) . .
N2 Ni1 O7 89.63(15) . 3_667
N2 Ni1 Tb1 130.13(11) . .
N2 Ni1 O2 170.19(13) . .
N2 Ni1 O11 88.27(14) . .
N2 Ni1 N1 98.93(16) . .
N1 Ni1 O7 88.51(14) . 3_667
N1 Ni1 Tb1 130.57(12) . .
N1 Ni1 O11 93.05(14) . .
O5 C18 C13 113.4(4) . .
C17 C18 O5 124.7(4) . .
C17 C18 C13 121.8(4) . .
Ni1 O2 Tb1 103.06(13) . .
C2 O2 Tb1 123.3(3) . .
C2 O2 Ni1 126.5(3) . .
C18 O5 Tb1 116.7(3) . .
C18 O5 C19 116.1(4) . .
C19 O5 Tb1 127.0(3) . .
C24 O6 Tb1 93.5(3) . .
C22 O11 Ni1 122.3(3) . .
C3 O1 Tb1 116.2(3) . .
C3 O1 C1 116.1(3) . .
C1 O1 Tb1 127.4(3) . .
Ni1 O4 Tb1 103.31(13) . .
C13 O4 Tb1 124.9(3) . .
C13 O4 Ni1 128.6(3) . .
C12 N2 Ni1 125.3(3) . .
C12 N2 C11 116.2(4) . .
C11 N2 Ni1 118.5(3) . .
O2 C2 C3 118.3(4) . .
O2 C2 C7 122.9(5) . .
C3 C2 C7 118.8(4) . .
Tb1 O8 Tb1 117.14(13) . 3_667
C24 O8 Tb1 143.4(3) . 3_667
C24 O8 Tb1 98.9(3) . .
O4 C13 C18 118.3(4) . .
O4 C13 C14 124.2(4) . .
C14 C13 C18 117.4(4) . .
C8 N1 Ni1 124.2(3) . .
C8 N1 C9 115.7(4) . .
C9 N1 Ni1 119.9(3) . .
O3 C10 C9 110.1(5) . .
O3 C10 C11 111.7(5) . .
C11 C10 C9 114.9(5) . .
O7 C24 Tb1 175.4(3) . .
O7 C24 O6 124.6(4) . .
O7 C24 O8 121.6(4) . .
O6 C24 Tb1 59.9(2) . .
O6 C24 O8 113.8(4) . .
O8 C24 Tb1 53.9(2) . .
C18 C17 C16 120.4(4) . .
C15 C16 C17 119.1(5) . .
C13 C14 C15 120.1(4) . .
C13 C14 C12 123.0(4) . .
C15 C14 C12 116.9(4) . .
C16 C15 C14 121.2(5) . .
N1 C8 C7 128.4(4) . .
C5 C6 C7 122.5(4) . .
O11 C22 C23 110.8(5) . .
O1 C3 C2 113.5(4) . .
C4 C3 O1 124.0(4) . .
C4 C3 C2 122.5(4) . .
C2 C7 C8 124.9(4) . .
C2 C7 C6 117.1(4) . .
C6 C7 C8 118.0(4) . .
N2 C12 C14 128.1(4) . .
C3 C4 C5 118.3(4) . .
C6 C5 C4 120.7(4) . .
N1 C9 C10 114.8(4) . .
N2 C11 C10 113.7(4) . .
C20 O9 Tb1 140.9(3) . .
O9 C20 C21 116.6(5) . .
O10 C20 O9 124.8(4) . .
O10 C20 C21 118.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O7 Ni1 2.108(3) 3_667
O7 C24 1.246(5) .
Tb1 Tb1 4.0158(9) 3_667
Tb1 Ni1 3.4176(10) .
Tb1 O2 2.309(3) .
Tb1 O5 2.514(3) .
Tb1 O6 2.471(3) .
Tb1 O1 2.513(3) .
Tb1 O4 2.309(3) .
Tb1 O8 2.330(3) .
Tb1 O8 2.376(3) 3_667
Tb1 C24 2.850(4) .
Tb1 O9 2.250(4) .
Ni1 O7 2.108(3) 3_667
Ni1 O2 2.051(3) .
Ni1 O11 2.105(3) .
Ni1 O4 2.043(3) .
Ni1 N2 2.048(4) .
Ni1 N1 2.059(4) .
C18 O5 1.403(6) .
C18 C13 1.419(6) .
C18 C17 1.379(7) .
O2 C2 1.337(5) .
O5 C19 1.449(5) .
O6 C24 1.277(5) .
O11 C22 1.447(6) .
O1 C3 1.407(5) .
O1 C1 1.451(5) .
O4 C13 1.316(5) .
N2 C12 1.295(6) .
N2 C11 1.484(5) .
C2 C3 1.409(7) .
C2 C7 1.421(7) .
O8 Tb1 2.376(3) 3_667
O8 C24 1.320(5) .
C13 C14 1.405(7) .
N1 C8 1.273(7) .
N1 C9 1.484(6) .
C10 O3 1.467(7) .
C10 C9 1.521(8) .
C10 C11 1.507(7) .
C17 C16 1.393(7) .
C16 C15 1.389(7) .
C14 C15 1.408(7) .
C14 C12 1.464(6) .
C8 C7 1.452(7) .
C6 C7 1.429(7) .
C6 C5 1.357(7) .
C22 C23 1.482(8) .
C3 C4 1.387(6) .
C4 C5 1.404(6) .
O9 C20 1.277(6) .
C20 O10 1.262(6) .
C20 C21 1.498(7) .
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
Tb1 O2 C2 C3 -18.0(5) .
Tb1 O2 C2 C7 161.5(3) .
Tb1 O6 C24 O7 178.9(4) .
Tb1 O6 C24 O8 -1.4(4) .
Tb1 O1 C3 C2 10.9(5) .
Tb1 O1 C3 C4 -171.0(4) .
Tb1 O4 C13 C18 11.1(6) .
Tb1 O4 C13 C14 -168.2(3) .
Tb1 O8 C24 O7 -178.8(4) .
Tb1 O8 C24 O7 -8.5(8) 3_667
Tb1 O8 C24 Tb1 170.4(6) 3_667
Tb1 O8 C24 O6 1.5(4) .
Tb1 O8 C24 O6 171.8(3) 3_667
Tb1 O9 C20 O10 -53.0(7) .
Tb1 O9 C20 C21 128.9(5) .
Ni1 O7 C24 O6 -177.0(3) 3_667
Ni1 O7 C24 O8 3.3(6) 3_667
Ni1 O2 C2 C3 -163.4(3) .
Ni1 O2 C2 C7 16.1(6) .
Ni1 O11 C22 C23 136.3(4) .
Ni1 O4 C13 C18 167.6(3) .
Ni1 O4 C13 C14 -11.7(7) .
Ni1 N2 C12 C14 -2.3(7) .
Ni1 N2 C11 C10 40.4(6) .
Ni1 N1 C8 C7 -7.1(7) .
Ni1 N1 C9 C10 -30.8(6) .
C18 C13 C14 C15 3.3(7) .
C18 C13 C14 C12 -179.3(4) .
C18 C17 C16 C15 1.1(7) .
O2 C2 C3 O1 3.1(6) .
O2 C2 C3 C4 -175.1(4) .
O2 C2 C7 C8 -3.8(7) .
O2 C2 C7 C6 176.9(4) .
O5 C18 C13 O4 -1.4(6) .
O5 C18 C13 C14 178.0(4) .
O5 C18 C17 C16 179.9(4) .
O1 C3 C4 C5 178.5(4) .
O4 C13 C14 C15 -177.4(4) .
O4 C13 C14 C12 0.1(7) .
C2 C3 C4 C5 -3.5(7) .
C13 C18 O5 Tb1 -7.3(5) .
C13 C18 O5 C19 175.8(4) .
C13 C18 C17 C16 -0.5(7) .
C13 C14 C15 C16 -2.8(7) .
C13 C14 C12 N2 7.5(8) .
N1 C8 C7 C2 -0.9(8) .
N1 C8 C7 C6 178.4(5) .
C17 C18 O5 Tb1 172.3(4) .
C17 C18 O5 C19 -4.6(6) .
C17 C18 C13 O4 179.0(4) .
C17 C18 C13 C14 -1.7(7) .
C17 C16 C15 C14 0.6(7) .
C15 C14 C12 N2 -175.0(5) .
C8 N1 C9 C10 143.9(5) .
C3 C2 C7 C8 175.7(4) .
C3 C2 C7 C6 -3.6(7) .
C3 C4 C5 C6 0.0(8) .
C7 C2 C3 O1 -176.5(4) .
C7 C2 C3 C4 5.4(7) .
C7 C6 C5 C4 1.5(8) .
O3 C10 C9 N1 -58.5(6) .
O3 C10 C11 N2 51.9(7) .
C1 O1 C3 C2 -175.3(4) .
C1 O1 C3 C4 2.8(6) .
C12 N2 C11 C10 -142.0(5) .
C12 C14 C15 C16 179.6(4) .
C5 C6 C7 C2 0.3(7) .
C5 C6 C7 C8 -179.1(5) .
C9 N1 C8 C7 178.4(5) .
C9 C10 C11 N2 -74.4(6) .
C11 N2 C12 C14 -179.6(5) .
C11 C10 C9 N1 68.7(6) .
