#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:35:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180478 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/47/7214749.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_7214749
loop_
_publ_author_name
'Wang, Shu-Ju'
'Tian, Yan-Wen'
'Xiong, Gang'
'You, Li-Xin'
'Ding, Fu'
'Guo, Mei-Yan'
'Gao, En-Jun'
'Smet, Philippe F.'
'Poelman, Dirk'
'Xiao, Lin-Jiu'
'Sun, Ya-Guang'
_publ_section_title
;
 Hydrothermal synthesis, crystal structure and properties of
 three-dimensional Co(ii)-4f heterometallic--organic frameworks
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              8689
_journal_paper_doi               10.1039/c2ce26082d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C18 H24 Co N4 O24 S2 Tb2'
_chemical_formula_weight         1121.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.424(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.805(6)
_cell_length_b                   8.530(2)
_cell_length_c                   15.480(5)
_cell_measurement_reflns_used    2596
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.83
_cell_volume                     2940.8(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11724
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.571
_exptl_absorpt_correction_T_max  0.4021
_exptl_absorpt_correction_T_min  0.4021
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            0
_exptl_crystal_density_diffrn    2.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       0
_exptl_crystal_F_000             2164
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    NONE
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         2596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0203
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0520
_refine_ls_wR_factor_ref         0.0527
_reflns_number_gt                2382
_reflns_number_total             2596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26082d.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7214749
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Tb1 Tb 0.247378(7) 0.138571(17) 0.382487(10) 0.02188(8) Uani 1 1 d .
Co Co 0.0000 0.20943(8) -0.2500 0.02875(16) Uani 1 2 d S
S S 0.15044(4) 0.46010(9) 0.41495(5) 0.02355(18) Uani 1 1 d .
O1 O 0.21160(10) 0.1781(3) 0.22429(15) 0.0280(5) Uani 1 1 d .
O2 O 0.14278(11) 0.0665(3) 0.28284(14) 0.0328(6) Uani 1 1 d .
O3 O 0.31025(11) 0.3501(2) 0.36309(16) 0.0279(6) Uani 1 1 d .
O4 O 0.20391(10) 0.1061(3) 0.50168(15) 0.0261(5) Uani 1 1 d .
O5 O 0.18491(12) 0.3605(2) 0.36514(16) 0.0312(6) Uani 1 1 d .
O6 O 0.16588(10) 0.4200(3) 0.51000(14) 0.0278(5) Uani 1 1 d .
O7 O 0.16437(12) 0.6245(2) 0.40206(18) 0.0339(6) Uani 1 1 d .
O8 O 0.08587(10) 0.4330(3) 0.38098(15) 0.0341(6) Uani 1 1 d .
O9 O 0.24118(11) -0.1370(3) 0.38349(17) 0.0374(7) Uani 1 1 d .
H9A H 0.2237 -0.1921 0.4108 0.056 Uiso 1 1 d R
H9B H 0.2618 -0.2129 0.3621 0.056 Uiso 1 1 d R
O10 O 0.32162(10) 0.0401(3) 0.29988(15) 0.0311(5) Uani 1 1 d .
H10A H 0.3383 0.1089 0.2813 0.047 Uiso 1 1 d R
H10B H 0.3159 -0.0149 0.2589 0.047 Uiso 1 1 d R
O11 O 0.0000 -0.0393(4) -0.2500 0.0667(14) Uani 1 2 d S
H11A H -0.0330 -0.0891 -0.2575 0.100 Uiso 0.50 1 d PR
H11B H 0.0330 -0.0891 -0.2425 0.100 Uiso 0.50 1 d PR
O12 O 0.09455(10) 0.2227(3) -0.22904(14) 0.0346(6) Uani 1 1 d .
H12A H 0.1153 0.1392 -0.2243 0.052 Uiso 1 1 d R
H12B H 0.1096 0.2816 -0.1852 0.052 Uiso 1 1 d R
O13 O 0.0000 0.4546(4) -0.2500 0.0494(11) Uani 1 2 d S
H13 H -0.0174 0.5153 -0.2901 0.074 Uiso 1 1 d R
N1 N 0.00094(12) 0.2101(3) -0.11345(18) 0.0296(6) Uani 1 1 d .
N2 N -0.02143(12) 0.3175(3) 0.00577(19) 0.0293(6) Uani 1 1 d .
H2 H -0.0408 0.3714 0.0375 0.035 Uiso 1 1 d R
C1 C 0.11711(15) 0.1257(3) 0.1273(2) 0.0243(7) Uani 1 1 d .
C2 C 0.13002(14) 0.0466(4) 0.0524(2) 0.0238(7) Uani 1 1 d .
C3 C 0.09422(14) 0.0686(4) -0.0311(2) 0.0262(7) Uani 1 1 d .
H3 H 0.1031 0.0188 -0.0801 0.031 Uiso 1 1 calc R
C4 C 0.04504(15) 0.1662(4) -0.0396(2) 0.0270(7) Uani 1 1 d .
C5 C 0.03139(14) 0.2359(4) 0.0357(2) 0.0262(7) Uani 1 1 d .
C6 C 0.06764(14) 0.2215(4) 0.1192(2) 0.0254(7) Uani 1 1 d .
H6 H 0.0590 0.2741 0.1676 0.030 Uiso 1 1 calc R
C7 C -0.03681(15) 0.2970(4) -0.0819(2) 0.0317(8) Uani 1 1 d .
H7 H -0.0712 0.3405 -0.1171 0.038 Uiso 1 1 calc R
C8 C 0.15967(16) 0.1197(4) 0.2162(2) 0.0246(7) Uani 1 1 d .
C9 C 0.32202(14) 0.4255(4) 0.4360(2) 0.0238(7) Uani 1 1 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'
Co Co 0.3494 0.9721 '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'
S S 0.1246 0.1234 '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
O4 Tb1 O6 81.26(8) . 7_556
O4 Tb1 O5 80.37(8) . .
O6 Tb1 O5 130.54(8) 7_556 .
O4 Tb1 O9 80.63(8) . .
O6 Tb1 O9 79.95(8) 7_556 .
O5 Tb1 O9 140.27(9) . .
O4 Tb1 O3 125.02(8) . .
O6 Tb1 O3 79.11(8) 7_556 .
O5 Tb1 O3 74.93(9) . .
O9 Tb1 O3 143.28(9) . .
O4 Tb1 O1 135.88(8) . .
O6 Tb1 O1 142.36(8) 7_556 .
O5 Tb1 O1 73.10(8) . .
O9 Tb1 O1 97.91(8) . .
O3 Tb1 O1 81.22(8) . .
O4 Tb1 O10 146.79(8) . .
O6 Tb1 O10 74.26(8) 7_556 .
O5 Tb1 O10 132.76(8) . .
O9 Tb1 O10 73.37(8) . .
O3 Tb1 O10 72.09(8) . .
O1 Tb1 O10 69.26(7) . .
O4 Tb1 O2 87.07(8) . .
O6 Tb1 O2 152.69(8) 7_556 .
O5 Tb1 O2 70.67(8) . .
O9 Tb1 O2 73.82(8) . .
O3 Tb1 O2 127.21(8) . .
O1 Tb1 O2 51.25(7) . .
O10 Tb1 O2 104.68(8) . .
O4 Tb1 O4 76.48(8) . 7_556
O6 Tb1 O4 64.38(7) 7_556 7_556
O5 Tb1 O4 66.80(8) . 7_556
O9 Tb1 O4 139.85(8) . 7_556
O3 Tb1 O4 48.72(7) . 7_556
O1 Tb1 O4 121.43(7) . 7_556
O10 Tb1 O4 111.21(7) . 7_556
O2 Tb1 O4 136.27(7) . 7_556
O4 Tb1 C8 111.85(9) . .
O6 Tb1 C8 158.52(8) 7_556 .
O5 Tb1 C8 70.03(9) . .
O9 Tb1 C8 85.39(9) . .
O3 Tb1 C8 104.52(9) . .
O1 Tb1 C8 25.53(9) . .
O10 Tb1 C8 86.59(9) . .
O2 Tb1 C8 25.72(8) . .
O4 Tb1 C8 133.78(7) 7_556 .
O4 Tb1 C9 101.23(8) . .
O6 Tb1 C9 68.65(8) 7_556 .
O5 Tb1 C9 70.60(9) . .
O9 Tb1 C9 147.70(9) . .
O3 Tb1 C9 24.07(8) . .
O1 Tb1 C9 102.28(8) . .
O10 Tb1 C9 90.50(8) . .
O2 Tb1 C9 138.25(8) . .
O4 Tb1 C9 24.75(7) 7_556 .
C8 Tb1 C9 122.18(9) . .
O13 Co N1 89.85(8) . 2_554
O13 Co N1 89.85(8) . .
N1 Co N1 179.70(17) 2_554 .
O13 Co O12 86.93(7) . 2_554
N1 Co O12 93.20(10) 2_554 2_554
N1 Co O12 86.78(10) . 2_554
O13 Co O12 86.93(7) . .
N1 Co O12 86.78(10) 2_554 .
N1 Co O12 93.20(10) . .
O12 Co O12 173.86(13) 2_554 .
O13 Co O11 180.0 . .
N1 Co O11 90.15(8) 2_554 .
N1 Co O11 90.15(8) . .
O12 Co O11 93.07(7) 2_554 .
O12 Co O11 93.07(7) . .
O7 S O8 109.41(15) . .
O7 S O6 110.24(15) . .
O8 S O6 108.99(13) . .
O7 S O5 108.91(15) . .
O8 S O5 109.03(15) . .
O6 S O5 110.25(14) . .
C8 O1 Tb1 98.6(2) . .
C8 O2 Tb1 89.9(2) . .
C9 O3 Tb1 106.9(2) . .
C9 O4 Tb1 174.0(2) 7_556 .
C9 O4 Tb1 82.38(18) 7_556 7_556
Tb1 O4 Tb1 103.52(8) . 7_556
S O5 Tb1 141.18(15) . .
S O6 Tb1 137.64(14) . 7_556
Tb1 O9 H9A 129.2 . .
Tb1 O9 H9B 132.5 . .
H9A O9 H9B 97.6 . .
Tb1 O10 H10A 112.0 . .
Tb1 O10 H10B 127.8 . .
H10A O10 H10B 99.3 . .
Co O11 H11A 120.0 . .
Co O11 H11B 120.0 . .
H11A O11 H11B 120.0 . .
Co O12 H12A 120.0 . .
Co O12 H12B 112.0 . .
H12A O12 H12B 107.7 . .
Co O13 H13 128.1 . .
C7 N1 C4 105.1(3) . .
C7 N1 Co 120.7(2) . .
C4 N1 Co 131.9(2) . .
C7 N2 C5 107.0(3) . .
C7 N2 H2 126.5 . .
C5 N2 H2 126.5 . .
C6 C1 C2 121.0(3) . .
C6 C1 C8 117.3(3) . .
C2 C1 C8 121.5(3) . .
C3 C2 C1 120.7(3) . .
C3 C2 C9 118.5(3) . 4_545
C1 C2 C9 120.3(3) . 4_545
C4 C3 C2 118.4(3) . .
C4 C3 H3 120.8 . .
C2 C3 H3 120.8 . .
C3 C4 C5 119.9(3) . .
C3 C4 N1 131.7(3) . .
C5 C4 N1 108.4(3) . .
N2 C5 C6 131.4(3) . .
N2 C5 C4 105.6(3) . .
C6 C5 C4 123.0(3) . .
C1 C6 C5 116.8(3) . .
C1 C6 H6 121.6 . .
C5 C6 H6 121.6 . .
N1 C7 N2 113.8(3) . .
N1 C7 H7 123.1 . .
N2 C7 H7 123.1 . .
O2 C8 O1 120.3(3) . .
O2 C8 C1 120.7(3) . .
O1 C8 C1 118.8(3) . .
O2 C8 Tb1 64.43(18) . .
O1 C8 Tb1 55.91(16) . .
C1 C8 Tb1 173.9(2) . .
O4 C9 O3 121.6(3) 7_556 .
O4 C9 C2 120.5(3) 7_556 4
O3 C9 C2 117.8(3) . 4
O4 C9 Tb1 72.87(18) 7_556 .
O3 C9 Tb1 49.05(16) . .
C2 C9 Tb1 163.9(2) 4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O4 2.291(2) .
Tb1 O6 2.349(2) 7_556
Tb1 O5 2.349(2) .
Tb1 O9 2.355(2) .
Tb1 O3 2.363(2) .
Tb1 O1 2.432(2) .
Tb1 O10 2.478(2) .
Tb1 O2 2.620(2) .
Tb1 O4 2.887(2) 7_556
Tb1 C8 2.905(3) .
Tb1 C9 2.994(3) .
Co O13 2.091(3) .
Co N1 2.109(3) 2_554
Co N1 2.109(3) .
Co O12 2.113(2) 2_554
Co O12 2.113(2) .
Co O11 2.122(4) .
S O7 1.461(2) .
S O8 1.472(2) .
S O6 1.477(2) .
S O5 1.482(3) .
O1 C8 1.266(4) .
O2 C8 1.261(4) .
O3 C9 1.276(4) .
O4 C9 1.265(4) 7_556
O4 Tb1 2.887(2) 7_556
O6 Tb1 2.349(2) 7_556
O9 H9A 0.7946 .
O9 H9B 0.9048 .
O10 H10A 0.7873 .
O10 H10B 0.7771 .
O11 H11A 0.8500 .
O11 H11B 0.8500 .
O12 H12A 0.8500 .
O12 H12B 0.8550 .
O13 H13 0.8398 .
N1 C7 1.308(4) .
N1 C4 1.402(4) .
N2 C7 1.338(4) .
N2 C5 1.382(4) .
N2 H2 0.8599 .
C1 C6 1.377(5) .
C1 C2 1.426(4) .
C1 C8 1.505(5) .
C2 C3 1.384(4) .
C2 C9 1.487(4) 4_545
C3 C4 1.380(5) .
C3 H3 0.9300 .
C4 C5 1.401(5) .
C5 C6 1.382(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C9 O4 1.265(4) 7_556
C9 C2 1.487(4) 4
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_4
O4 Tb1 O1 C8 -23.3(2) . .
O6 Tb1 O1 C8 145.14(19) 7_556 .
O5 Tb1 O1 C8 -78.93(19) . .
O9 Tb1 O1 C8 61.37(19) . .
O3 Tb1 O1 C8 -155.7(2) . .
O10 Tb1 O1 C8 130.2(2) . .
O2 Tb1 O1 C8 -0.45(18) . .
O4 Tb1 O1 C8 -126.99(18) 7_556 .
C9 Tb1 O1 C8 -144.00(19) . .
O4 Tb1 O2 C8 164.75(19) . .
O6 Tb1 O2 C8 -130.8(2) 7_556 .
O5 Tb1 O2 C8 83.94(19) . .
O9 Tb1 O2 C8 -114.2(2) . .
O3 Tb1 O2 C8 31.7(2) . .
O1 Tb1 O2 C8 0.45(17) . .
O10 Tb1 O2 C8 -46.7(2) . .
O4 Tb1 O2 C8 97.83(19) 7_556 .
C9 Tb1 O2 C8 61.1(2) . .
O4 Tb1 O3 C9 9.7(2) . .
O6 Tb1 O3 C9 -61.4(2) 7_556 .
O5 Tb1 O3 C9 76.1(2) . .
O9 Tb1 O3 C9 -117.7(2) . .
O1 Tb1 O3 C9 150.8(2) . .
O10 Tb1 O3 C9 -138.2(2) . .
O2 Tb1 O3 C9 126.7(2) . .
O4 Tb1 O3 C9 3.92(18) 7_556 .
C8 Tb1 O3 C9 140.3(2) . .
O6 Tb1 O4 Tb1 65.61(8) 7_556 7_556
O5 Tb1 O4 Tb1 -68.27(8) . 7_556
O9 Tb1 O4 Tb1 146.77(9) . 7_556
O3 Tb1 O4 Tb1 -4.44(12) . 7_556
O1 Tb1 O4 Tb1 -121.51(10) . 7_556
O10 Tb1 O4 Tb1 108.20(13) . 7_556
O2 Tb1 O4 Tb1 -139.15(8) . 7_556
O4 Tb1 O4 Tb1 0.0 7_556 7_556
C8 Tb1 O4 Tb1 -132.09(8) . 7_556
C9 Tb1 O4 Tb1 -0.44(9) . 7_556
O7 S O5 Tb1 131.4(2) . .
O8 S O5 Tb1 -109.3(2) . .
O6 S O5 Tb1 10.3(3) . .
O4 Tb1 O5 S 17.6(2) . .
O6 Tb1 O5 S -52.1(3) 7_556 .
O9 Tb1 O5 S 80.0(3) . .
O3 Tb1 O5 S -112.9(2) . .
O1 Tb1 O5 S 161.9(3) . .
O10 Tb1 O5 S -159.8(2) . .
O2 Tb1 O5 S 107.8(2) . .
O4 Tb1 O5 S -61.8(2) 7_556 .
C8 Tb1 O5 S 135.2(3) . .
C9 Tb1 O5 S -88.0(2) . .
O7 S O6 Tb1 -78.2(2) . 7_556
O8 S O6 Tb1 161.70(19) . 7_556
O5 S O6 Tb1 42.1(2) . 7_556
O13 Co N1 C7 48.9(3) . .
O12 Co N1 C7 -38.0(3) 2_554 .
O12 Co N1 C7 135.8(3) . .
O11 Co N1 C7 -131.1(3) . .
O13 Co N1 C4 -111.2(3) . .
O12 Co N1 C4 161.9(3) 2_554 .
O12 Co N1 C4 -24.2(3) . .
O11 Co N1 C4 68.8(3) . .
C6 C1 C2 C3 2.3(5) . .
C8 C1 C2 C3 -172.1(3) . .
C6 C1 C2 C9 -170.8(3) . 4_545
C8 C1 C2 C9 14.8(5) . 4_545
C1 C2 C3 C4 -1.4(5) . .
C9 C2 C3 C4 171.8(3) 4_545 .
C2 C3 C4 C5 -2.1(5) . .
C2 C3 C4 N1 -179.4(3) . .
C7 N1 C4 C3 176.0(4) . .
Co N1 C4 C3 -21.7(6) . .
C7 N1 C4 C5 -1.5(4) . .
Co N1 C4 C5 160.8(2) . .
C7 N2 C5 C6 177.6(4) . .
C7 N2 C5 C4 -0.6(4) . .
C3 C4 C5 N2 -176.6(3) . .
N1 C4 C5 N2 1.3(4) . .
C3 C4 C5 C6 5.0(5) . .
N1 C4 C5 C6 -177.1(3) . .
C2 C1 C6 C5 0.4(5) . .
C8 C1 C6 C5 175.0(3) . .
N2 C5 C6 C1 178.0(3) . .
C4 C5 C6 C1 -4.0(5) . .
C4 N1 C7 N2 1.2(4) . .
Co N1 C7 N2 -163.6(2) . .
C5 N2 C7 N1 -0.4(4) . .
Tb1 O2 C8 O1 -0.8(3) . .
Tb1 O2 C8 C1 -176.2(3) . .
Tb1 O1 C8 O2 0.8(3) . .
Tb1 O1 C8 C1 176.4(2) . .
C6 C1 C8 O2 64.0(4) . .
C2 C1 C8 O2 -121.4(4) . .
C6 C1 C8 O1 -111.5(4) . .
C2 C1 C8 O1 63.2(4) . .
O4 Tb1 C8 O2 -16.4(2) . .
O6 Tb1 C8 O2 108.4(3) 7_556 .
O5 Tb1 C8 O2 -86.71(19) . .
O9 Tb1 C8 O2 61.53(19) . .
O3 Tb1 C8 O2 -154.39(18) . .
O1 Tb1 C8 O2 -179.2(3) . .
O10 Tb1 C8 O2 135.10(19) . .
O4 Tb1 C8 O2 -108.48(19) 7_556 .
C9 Tb1 C8 O2 -136.45(18) . .
O4 Tb1 C8 O1 162.75(18) . .
O6 Tb1 C8 O1 -72.4(3) 7_556 .
O5 Tb1 C8 O1 92.5(2) . .
O9 Tb1 C8 O1 -119.28(19) . .
O3 Tb1 C8 O1 24.8(2) . .
O10 Tb1 C8 O1 -45.71(19) . .
O2 Tb1 C8 O1 179.2(3) . .
O4 Tb1 C8 O1 70.7(2) 7_556 .
C9 Tb1 C8 O1 42.7(2) . .
Tb1 O3 C9 O4 -7.9(4) . 7_556
Tb1 O3 C9 C2 168.7(2) . 4
O4 Tb1 C9 O4 1.0(2) . 7_556
O6 Tb1 C9 O4 -74.86(17) 7_556 7_556
O5 Tb1 C9 O4 76.49(18) . 7_556
O9 Tb1 C9 O4 -89.2(2) . 7_556
O3 Tb1 C9 O4 173.0(3) . 7_556
O1 Tb1 C9 O4 143.41(16) . 7_556
O10 Tb1 C9 O4 -147.72(17) . 7_556
O2 Tb1 C9 O4 99.31(18) . 7_556
C8 Tb1 C9 O4 125.99(17) . 7_556
O4 Tb1 C9 O3 -171.9(2) . .
O6 Tb1 C9 O3 112.2(2) 7_556 .
O5 Tb1 C9 O3 -96.5(2) . .
O9 Tb1 C9 O3 97.9(2) . .
O1 Tb1 C9 O3 -29.5(2) . .
O10 Tb1 C9 O3 39.3(2) . .
O2 Tb1 C9 O3 -73.6(2) . .
O4 Tb1 C9 O3 -173.0(3) 7_556 .
C8 Tb1 C9 O3 -47.0(2) . .
O4 Tb1 C9 C2 149.3(8) . 4
O6 Tb1 C9 C2 73.4(8) 7_556 4
O5 Tb1 C9 C2 -135.2(8) . 4
O9 Tb1 C9 C2 59.1(8) . 4
O3 Tb1 C9 C2 -38.7(7) . 4
O1 Tb1 C9 C2 -68.3(8) . 4
O10 Tb1 C9 C2 0.6(8) . 4
O2 Tb1 C9 C2 -112.4(7) . 4
O4 Tb1 C9 C2 148.3(9) 7_556 4
C8 Tb1 C9 C2 -85.7(8) . 4
