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#$Date: 2025-08-18 18:02:58 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/01/1520131.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_1520131
loop_
_publ_author_name
'Wu, Jianfeng'
'Zhao, Lang'
'Zhang, Peng'
'Zhang, Li'
'Guo, Mei'
'Tang, Jinkui'
_publ_section_title
;
 Linear 3d-4f compounds: synthesis, structure, and determination of the
 d-f magnetic interaction.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11935
_journal_page_last               11942
_journal_paper_doi               10.1039/c5dt01382h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C78 H74 Co2 N4 O24 Tb2'
_chemical_formula_sum            'C78 H74 Co2 N4 O24 Tb2'
_chemical_formula_weight         1887.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_block_doi                 10.5517/cc14htfw
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-05-06 deposited with the CCDC.
2015-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 121.013(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.168(3)
_cell_length_b                   16.9669(16)
_cell_length_c                   22.816(3)
_cell_measurement_reflns_used    5159
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.32
_cell_measurement_theta_min      2.62
_cell_volume                     8018.4(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0716
_diffrn_reflns_av_unetI/netI     0.0816
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24249
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.016
_diffrn_reflns_theta_min         1.551
_exptl_absorpt_coefficient_mu    2.226
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_description       block
_exptl_crystal_F_000             3784
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         7881
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1129
_refine_ls_R_factor_gt           0.0539
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0930P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.1791
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4406
_reflns_number_total             7881
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01382h2.cif
_cod_data_source_block           Tb2Co2
_cod_depositor_comments
'Adding full bibliography for 1520123--1520137.cif.'
_cod_original_cell_volume        8018.3(16)
_cod_database_code               1520131
_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, -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'
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
C1 C 0.2759(5) 0.5204(7) 0.7058(6) 0.102(4) Uani 1 1 d . .
H1A H 0.2593 0.5099 0.6582 0.153 Uiso 1 1 calc R U
H1B H 0.3147 0.4905 0.7329 0.153 Uiso 1 1 calc R U
H1C H 0.2853 0.5756 0.7146 0.153 Uiso 1 1 calc R U
C2 C 0.1691(2) 0.5327(4) 0.6873(3) 0.079(3) Uani 1 1 d G .
C3 C 0.1498(3) 0.5815(5) 0.6311(4) 0.123(4) Uani 1 1 d G U
H3 H 0.1773 0.5902 0.6145 0.148 Uiso 1 1 calc R U
C4 C 0.0894(4) 0.6172(5) 0.5996(3) 0.149(5) Uani 1 1 d G U
H4 H 0.0765 0.6499 0.5620 0.179 Uiso 1 1 calc R U
C5 C 0.0484(3) 0.6042(4) 0.6244(4) 0.113(4) Uani 1 1 d G U
H5 H 0.0080 0.6281 0.6034 0.136 Uiso 1 1 calc R U
C6 C 0.0676(3) 0.5554(4) 0.6806(3) 0.076(3) Uani 1 1 d G .
C7 C 0.1280(3) 0.5196(4) 0.7121(3) 0.061(2) Uani 1 1 d G .
C8 C 0.0227(4) 0.5458(5) 0.7046(5) 0.065(2) Uani 1 1 d . .
H8 H -0.0088 0.5843 0.6927 0.078 Uiso 1 1 calc R U
C9 C 0.3532(5) 0.2734(7) 0.9554(6) 0.134(6) Uani 1 1 d . U
H9A H 0.3655 0.2940 0.9997 0.202 Uiso 1 1 calc R U
H9B H 0.3797 0.2966 0.9400 0.202 Uiso 1 1 calc R U
H9C H 0.3587 0.2173 0.9582 0.202 Uiso 1 1 calc R U
C10 C 0.2403(2) 0.2437(4) 0.9050(3) 0.076(3) Uani 1 1 d G U
C11 C 0.2530(3) 0.1775(4) 0.9460(3) 0.097(4) Uani 1 1 d G U
H11 H 0.2954 0.1629 0.9769 0.117 Uiso 1 1 calc R U
C12 C 0.2023(4) 0.1332(3) 0.9408(3) 0.109(4) Uani 1 1 d G U
H12 H 0.2108 0.0890 0.9682 0.130 Uiso 1 1 calc R U
C13 C 0.1389(3) 0.1550(4) 0.8946(3) 0.097(4) Uani 1 1 d G U
H13 H 0.1049 0.1254 0.8911 0.117 Uiso 1 1 calc R U
C14 C 0.1262(2) 0.2211(4) 0.8536(3) 0.062(2) Uani 1 1 d G U
C15 C 0.1769(3) 0.2655(3) 0.8588(3) 0.061(2) Uani 1 1 d G U
C16 C 0.0590(4) 0.2394(5) 0.8089(4) 0.060(2) Uani 1 1 d . .
H16 H 0.0301 0.2013 0.8063 0.071 Uiso 1 1 calc R U
C17 C 0.1692(4) 0.4716(5) 0.9128(4) 0.0490(18) Uani 1 1 d . .
C18 C 0.1748(3) 0.5255(3) 0.9668(3) 0.057(2) Uani 1 1 d G .
C19 C 0.1247(2) 0.5309(4) 0.9797(3) 0.087(3) Uani 1 1 d G .
H19 H 0.0884 0.4991 0.9559 0.105 Uiso 1 1 calc R U
C20 C 0.1288(3) 0.5839(5) 1.0283(4) 0.127(5) Uani 1 1 d G .
H20 H 0.0952 0.5875 1.0369 0.152 Uiso 1 1 calc R U
C21 C 0.1830(4) 0.6314(4) 1.0639(3) 0.110(4) Uani 1 1 d G .
H21 H 0.1858 0.6668 1.0964 0.132 Uiso 1 1 calc R U
C22 C 0.2332(3) 0.6260(4) 1.0510(3) 0.094(3) Uani 1 1 d G .
H22 H 0.2694 0.6578 1.0749 0.113 Uiso 1 1 calc R U
C23 C 0.2290(2) 0.5730(4) 1.0024(3) 0.071(3) Uani 1 1 d G .
H23 H 0.2626 0.5694 0.9938 0.085 Uiso 1 1 calc R U
C24 C 0.3473(4) 0.5163(8) 0.9280(4) 0.075(3) Uani 1 1 d . .
C25 C 0.3949(3) 0.5715(5) 0.9799(3) 0.091(3) Uani 1 1 d G .
C26 C 0.3853(3) 0.6525(5) 0.9775(4) 0.112(4) Uani 1 1 d G .
H26 H 0.3467 0.6742 0.9434 0.134 Uiso 1 1 calc R U
C27 C 0.4336(5) 0.7010(4) 1.0259(4) 0.152(6) Uani 1 1 d G .
H27 H 0.4271 0.7552 1.0243 0.182 Uiso 1 1 calc R U
C28 C 0.4914(4) 0.6686(6) 1.0769(4) 0.139(6) Uani 1 1 d G .
H28 H 0.5236 0.7010 1.1093 0.166 Uiso 1 1 calc R U
C29 C 0.5009(3) 0.5876(6) 1.0793(4) 0.131(5) Uani 1 1 d G U
H29 H 0.5396 0.5658 1.1134 0.157 Uiso 1 1 calc R U
C30 C 0.4527(4) 0.5390(4) 1.0308(4) 0.112(4) Uani 1 1 d G U
H30 H 0.4591 0.4848 1.0325 0.134 Uiso 1 1 calc R U
C31 C 0.3019(5) 0.3277(6) 0.7687(4) 0.071(3) Uani 1 1 d . .
C32 C 0.3280(3) 0.2812(4) 0.7324(3) 0.066(2) Uani 1 1 d G .
C33 C 0.3808(3) 0.3105(4) 0.7305(3) 0.094(3) Uani 1 1 d G .
H33 H 0.4012 0.3563 0.7543 0.113 Uiso 1 1 calc R U
C34 C 0.4030(3) 0.2714(5) 0.6930(4) 0.105(4) Uani 1 1 d G .
H34 H 0.4383 0.2910 0.6917 0.127 Uiso 1 1 calc R U
C35 C 0.3724(4) 0.2031(4) 0.6574(3) 0.101(4) Uani 1 1 d G .
H35 H 0.3873 0.1769 0.6324 0.122 Uiso 1 1 calc R U
C36 C 0.3197(3) 0.1737(3) 0.6594(3) 0.093(3) Uani 1 1 d G .
H36 H 0.2993 0.1280 0.6356 0.111 Uiso 1 1 calc R U
C37 C 0.2975(3) 0.2128(4) 0.6969(3) 0.073(3) Uani 1 1 d G .
H37 H 0.2622 0.1932 0.6982 0.088 Uiso 1 1 calc R U
C38 C 0.0048(5) 0.3629(7) 0.6070(5) 0.097(3) Uani 1 1 d . .
H38A H -0.0307 0.3806 0.6112 0.145 Uiso 1 1 calc R U
H38B H -0.0047 0.3118 0.5860 0.145 Uiso 1 1 calc R U
H38C H 0.0118 0.3994 0.5793 0.145 Uiso 1 1 calc R U
C39 C 0.1189(10) 0.1752(8) 0.6806(8) 0.178(8) Uani 1 1 d . .
H39A H 0.1583 0.1457 0.7052 0.268 Uiso 1 1 calc R U
H39B H 0.0888 0.1468 0.6402 0.268 Uiso 1 1 calc R U
H39C H 0.1008 0.1826 0.7091 0.268 Uiso 1 1 calc R U
Co2 Co 0.08889(5) 0.39756(6) 0.77577(5) 0.0459(3) Uani 1 1 d . .
N1 N 0.0333(3) 0.3014(3) 0.7719(3) 0.0491(15) Uani 1 1 d . .
N2 N 0.0236(3) 0.4880(4) 0.7410(3) 0.0475(15) Uani 1 1 d . .
O1 O 0.2286(3) 0.4982(4) 0.7231(3) 0.0752(17) Uani 1 1 d . .
O2 O 0.1495(2) 0.4705(3) 0.7644(2) 0.0513(13) Uani 1 1 d . .
O3 O 0.2857(3) 0.2924(4) 0.9073(3) 0.083(2) Uani 1 1 d . .
O4 O 0.1681(2) 0.3260(3) 0.8182(2) 0.0561(14) Uani 1 1 d . .
O5 O 0.2190(2) 0.4622(3) 0.9104(2) 0.0585(14) Uani 1 1 d . .
O6 O 0.1160(3) 0.4392(3) 0.8735(3) 0.0573(14) Uani 1 1 d . .
O7 O 0.3353(3) 0.3783(5) 0.8113(3) 0.088(2) Uani 1 1 d . .
O8 O 0.2462(3) 0.3131(4) 0.7564(3) 0.0799(19) Uani 1 1 d . .
O9 O 0.3494(3) 0.4449(5) 0.9399(3) 0.084(2) Uani 1 1 d . .
O10 O 0.3030(3) 0.5442(4) 0.8704(3) 0.0827(19) Uani 1 1 d . .
O11 O 0.0601(3) 0.3585(4) 0.6716(3) 0.0734(17) Uani 1 1 d D .
O12 O 0.1313(4) 0.2469(6) 0.6627(4) 0.117(3) Uani 1 1 d . .
H12A H 0.1689 0.2592 0.6897 0.176 Uiso 1 1 calc R U
Tb1 Tb 0.25120(2) 0.41608(3) 0.83500(2) 0.06157(19) Uani 1 1 d . .
H11A H 0.081(3) 0.319(2) 0.676(4) 0.04(2) Uiso 1 1 d D .
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'
Co Co 0.3494 0.9721 '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
O1 C2 C3 123.7(5) . .
O1 C2 C7 116.2(5) . .
C3 C2 C7 120.0 . .
C4 C3 C2 120.0 . .
C5 C4 C3 120.0 . .
C6 C5 C4 120.0 . .
C5 C6 C7 120.0 . .
C5 C6 C8 117.0(5) . .
C7 C6 C8 123.0(5) . .
O2 C7 C6 124.1(4) . .
O2 C7 C2 115.9(4) . .
C6 C7 C2 120.0 . .
N2 C8 C6 124.3(7) . .
O3 C10 C11 125.0(5) . .
O3 C10 C15 114.9(5) . .
C11 C10 C15 120.0 . .
C12 C11 C10 120.0 . .
C11 C12 C13 120.0 . .
C12 C13 C14 120.0 . .
C15 C14 C13 120.0 . .
C15 C14 C16 124.6(5) . .
C13 C14 C16 115.3(5) . .
O4 C15 C14 122.9(5) . .
O4 C15 C10 117.0(5) . .
C14 C15 C10 120.0 . .
N1 C16 C14 128.8(8) . .
O5 C17 O6 124.8(7) . .
O5 C17 C18 116.1(7) . .
O6 C17 C18 119.0(6) . .
C19 C18 C23 120.0 . .
C19 C18 C17 120.1(5) . .
C23 C18 C17 119.9(5) . .
C20 C19 C18 120.0 . .
C19 C20 C21 120.0 . .
C20 C21 C22 120.0 . .
C21 C22 C23 120.0 . .
C22 C23 C18 120.0 . .
O9 C24 O10 120.3(9) . .
O9 C24 C25 121.1(9) . .
O10 C24 C25 118.6(11) . .
O9 C24 Tb1 59.4(5) . .
O10 C24 Tb1 61.0(5) . .
C25 C24 Tb1 175.1(6) . .
C26 C25 C30 120.0 . .
C26 C25 C24 123.2(8) . .
C30 C25 C24 116.7(7) . .
C27 C26 C25 120.0 . .
C26 C27 C28 120.0 . .
C29 C28 C27 120.0 . .
C28 C29 C30 120.0 . .
C29 C30 C25 120.0 . .
O7 C31 O8 120.4(8) . .
O7 C31 C32 120.7(8) . .
O8 C31 C32 118.9(8) . .
O7 C31 Tb1 59.7(4) . .
O8 C31 Tb1 60.7(4) . .
C32 C31 Tb1 179.1(6) . .
C33 C32 C37 120.0 . .
C33 C32 C31 118.9(6) . .
C37 C32 C31 120.9(6) . .
C32 C33 C34 120.0 . .
C35 C34 C33 120.0 . .
C34 C35 C36 120.0 . .
C35 C36 C37 120.0 . .
C36 C37 C32 120.0 . .
O2 Co2 O4 82.0(2) . .
O2 Co2 N2 87.5(2) . .
O4 Co2 N2 167.9(2) . .
O2 Co2 N1 163.9(2) . .
O4 Co2 N1 88.9(2) . .
N2 Co2 N1 102.6(2) . .
O2 Co2 O6 94.5(2) . .
O4 Co2 O6 89.6(2) . .
N2 Co2 O6 85.1(2) . .
N1 Co2 O6 98.6(2) . .
O2 Co2 O11 83.9(2) . .
O4 Co2 O11 91.8(2) . .
N2 Co2 O11 93.2(2) . .
N1 Co2 O11 83.2(2) . .
O6 Co2 O11 177.7(2) . .
O2 Co2 Tb1 40.91(13) . .
O4 Co2 Tb1 42.90(16) . .
N2 Co2 Tb1 125.39(16) . .
N1 Co2 Tb1 131.83(16) . .
O6 Co2 Tb1 83.28(15) . .
O11 Co2 Tb1 96.50(18) . .
C16 N1 N1 117.4(5) . 2_556
C16 N1 Co2 121.8(5) . .
N1 N1 Co2 120.8(3) 2_556 .
C8 N2 N2 116.6(6) . 2_556
C8 N2 Co2 125.4(5) . .
N2 N2 Co2 118.0(3) 2_556 .
C2 O1 C1 117.7(7) . .
C2 O1 Tb1 115.0(4) . .
C1 O1 Tb1 126.3(6) . .
C7 O2 Co2 121.6(4) . .
C7 O2 Tb1 131.2(4) . .
Co2 O2 Tb1 104.1(2) . .
C10 O3 C9 117.7(8) . .
C10 O3 Tb1 119.6(4) . .
C9 O3 Tb1 122.6(7) . .
C15 O4 Co2 124.5(4) . .
C15 O4 Tb1 124.3(4) . .
Co2 O4 Tb1 101.6(2) . .
C17 O5 Tb1 140.0(5) . .
C17 O6 Co2 123.5(5) . .
C31 O7 Tb1 94.4(5) . .
C31 O8 Tb1 93.0(5) . .
C24 O9 Tb1 94.2(6) . .
C24 O10 Tb1 91.4(7) . .
C38 O11 Co2 136.3(6) . .
O2 Tb1 O5 75.25(17) . .
O2 Tb1 O4 69.03(17) . .
O5 Tb1 O4 76.28(18) . .
O2 Tb1 O9 139.5(2) . .
O5 Tb1 O9 74.5(2) . .
O4 Tb1 O9 127.4(2) . .
O2 Tb1 O10 93.1(2) . .
O5 Tb1 O10 76.6(2) . .
O4 Tb1 O10 150.57(19) . .
O9 Tb1 O10 53.9(3) . .
O2 Tb1 O7 130.84(19) . .
O5 Tb1 O7 150.90(19) . .
O4 Tb1 O7 121.5(2) . .
O9 Tb1 O7 76.5(2) . .
O10 Tb1 O7 87.9(2) . .
O2 Tb1 O8 98.01(19) . .
O5 Tb1 O8 148.9(2) . .
O4 Tb1 O8 73.02(19) . .
O9 Tb1 O8 121.6(2) . .
O10 Tb1 O8 134.5(2) . .
O7 Tb1 O8 52.2(2) . .
O2 Tb1 O3 131.0(2) . .
O5 Tb1 O3 85.49(19) . .
O4 Tb1 O3 62.75(19) . .
O9 Tb1 O3 72.2(3) . .
O10 Tb1 O3 125.8(2) . .
O7 Tb1 O3 83.9(2) . .
O8 Tb1 O3 76.2(2) . .
O2 Tb1 O1 60.96(17) . .
O5 Tb1 O1 122.40(19) . .
O4 Tb1 O1 115.69(17) . .
O9 Tb1 O1 116.9(2) . .
O10 Tb1 O1 70.8(2) . .
O7 Tb1 O1 73.3(2) . .
O8 Tb1 O1 76.6(2) . .
O3 Tb1 O1 151.7(2) . .
O2 Tb1 C24 117.1(3) . .
O5 Tb1 C24 72.5(2) . .
O4 Tb1 C24 144.7(2) . .
O9 Tb1 C24 26.4(2) . .
O10 Tb1 C24 27.5(3) . .
O7 Tb1 C24 82.3(2) . .
O8 Tb1 C24 134.4(2) . .
O3 Tb1 C24 98.3(3) . .
O1 Tb1 C24 95.1(3) . .
O2 Tb1 C31 115.9(2) . .
O5 Tb1 C31 165.0(2) . .
O4 Tb1 C31 97.8(3) . .
O9 Tb1 C31 99.4(2) . .
O10 Tb1 C31 111.2(3) . .
O7 Tb1 C31 25.9(2) . .
O8 Tb1 C31 26.3(2) . .
O3 Tb1 C31 79.6(2) . .
O1 Tb1 C31 72.6(2) . .
C24 Tb1 C31 108.2(3) . .
O2 Tb1 Co2 34.96(12) . .
O5 Tb1 Co2 65.10(13) . .
O4 Tb1 Co2 35.49(12) . .
O9 Tb1 Co2 138.78(17) . .
O10 Tb1 Co2 120.00(15) . .
O7 Tb1 Co2 143.04(15) . .
O8 Tb1 Co2 91.76(14) . .
O3 Tb1 Co2 96.10(16) . .
O1 Tb1 Co2 92.38(12) . .
C24 Tb1 Co2 133.7(2) . .
C31 Tb1 Co2 117.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.439(10) .
C2 O1 1.367(7) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 C4 1.3900 .
C4 C5 1.3900 .
C5 C6 1.3900 .
C6 C7 1.3900 .
C6 C8 1.457(9) .
C7 O2 1.323(6) .
C8 N2 1.277(9) .
C9 O3 1.457(10) .
C10 O3 1.353(9) .
C10 C11 1.3900 .
C10 C15 1.3900 .
C11 C12 1.3900 .
C12 C13 1.3900 .
C13 C14 1.3900 .
C14 C15 1.3900 .
C14 C16 1.437(9) .
C15 O4 1.325(7) .
C16 N1 1.291(9) .
C17 O5 1.243(8) .
C17 O6 1.254(9) .
C17 C18 1.483(8) .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C20 C21 1.3900 .
C21 C22 1.3900 .
C22 C23 1.3900 .
C24 O9 1.237(12) .
C24 O10 1.284(11) .
C24 C25 1.483(11) .
C24 Tb1 2.776(10) .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C27 C28 1.3900 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C31 O7 1.235(10) .
C31 O8 1.251(10) .
C31 C32 1.498(9) .
C31 Tb1 2.819(8) .
C32 C33 1.3900 .
C32 C37 1.3900 .
C33 C34 1.3900 .
C34 C35 1.3900 .
C35 C36 1.3900 .
C36 C37 1.3900 .
C38 O11 1.390(10) .
C39 O12 1.365(15) .
Co2 O2 2.034(5) .
Co2 O4 2.041(5) .
Co2 N2 2.046(6) .
Co2 N1 2.087(6) .
Co2 O6 2.096(5) .
Co2 O11 2.207(6) .
Co2 Tb1 3.4426(11) .
N1 N1 1.389(12) 2_556
N2 N2 1.397(11) 2_556
O1 Tb1 2.706(6) .
O2 Tb1 2.325(5) .
O3 Tb1 2.530(7) .
O4 Tb1 2.392(5) .
O5 Tb1 2.357(5) .
O7 Tb1 2.442(6) .
O8 Tb1 2.462(6) .
O9 Tb1 2.396(6) .
O10 Tb1 2.430(7) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139045397
