#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/29/7032930.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_7032930
loop_
_publ_author_name
'Feng, Xun'
'Feng, Yu-Quan'
'Chen, Jun Jing'
'Ng, Seik-Weng'
'Wang, Li-Ya'
'Guo, Jin-Zhong'
_publ_section_title
;
 Reticular three-dimensional 3d-4f frameworks constructed through
 substituted imidazole-dicarboxylate: syntheses, luminescence and magnetic
 properties study.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              804
_journal_page_last               816
_journal_paper_doi               10.1039/c4dt02047b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C12 H16 Co N4 O12.5 Tb'
_chemical_formula_weight         634.14
_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                 114.6550(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.339(3)
_cell_length_b                   9.1443(12)
_cell_length_c                   19.064(2)
_cell_measurement_reflns_used    4402
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.35
_cell_volume                     3856.1(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0636
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11780
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    4.573
_exptl_absorpt_correction_T_max  0.5878
_exptl_absorpt_correction_T_min  0.4770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.370
_refine_diff_density_min         -1.116
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4402
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0412
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0515P)²+12.9958P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                3352
_reflns_number_total             4402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02047b3.cif
_cod_data_source_block           Tb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032926--7032931.cif.
;
_cod_original_cell_volume        3856.0(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C12 H16 Co N4 O12.50 Tb'
_cod_database_code               7032930
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 0.542350(13) 0.69517(3) 0.494230(18) 0.01893(11) Uani 1 1 d .
Co1 Co 0.71142(4) 0.48790(10) 0.33683(5) 0.0200(2) Uani 1 1 d .
O1 O 0.6152(2) 0.6456(6) 0.4548(3) 0.0403(14) Uani 1 1 d .
O2 O 0.6675(2) 0.6302(5) 0.3842(3) 0.0295(11) Uani 1 1 d .
O3 O 0.54759(19) 0.4316(5) 0.4953(3) 0.0243(10) Uani 1 1 d .
O4 O 0.5411(2) 0.1940(5) 0.4820(3) 0.0288(11) Uani 1 1 d .
O5 O 0.6104(2) 0.8773(5) 0.5537(3) 0.0308(11) Uani 1 1 d .
O6 O 0.6981(2) 0.9804(5) 0.5748(3) 0.0268(11) Uani 1 1 d .
O7 O 0.5784(2) 0.6336(6) 0.6225(3) 0.0296(11) Uani 1 1 d .
O8 O 0.62324(19) 0.5428(5) 0.7413(3) 0.0271(11) Uani 1 1 d .
O1W O 0.5182(2) 0.9141(5) 0.4161(3) 0.0365(12) Uani 1 1 d .
H11 H 0.5426 0.9802 0.4402 0.055 Uiso 1 1 d R
H12 H 0.4828 0.9411 0.4069 0.055 Uiso 1 1 d R
O2W O 0.4798(2) 0.6318(5) 0.3653(3) 0.0448(14) Uani 1 1 d .
H21 H 0.4594 0.5577 0.3652 0.067 Uiso 1 1 d R
H22 H 0.5014 0.6136 0.3411 0.067 Uiso 1 1 d R
O3W O 0.4342(2) 1.0551(5) 0.2940(3) 0.133(4) Uani 1 1 d RU
H31 H 0.4240 1.0041 0.2540 0.200 Uiso 1 1 d R
H32 H 0.4488 1.1347 0.2877 0.200 Uiso 1 1 d R
O4W O 0.4104(8) 0.849(2) 0.1868(11) 0.243(8) Uani 1 1 d U
H41 H 0.3862 0.7796 0.1692 0.364 Uiso 1 1 d R
H42 H 0.4137 0.8947 0.1502 0.364 Uiso 1 1 d R
O5W O 0.5000 0.737(5) 0.2500 0.182(15) Uani 0.50 2 d SPU
H51 H 0.4703 0.7929 0.2286 0.272 Uiso 0.50 1 d PR
O6W O 0.5000 1.292(3) 0.2500 0.099(8) Uani 0.50 2 d SPU
H61 H 0.5230 1.3431 0.2869 0.148 Uiso 0.50 1 d PR
N1 N 0.6836(2) 0.3433(6) 0.4038(3) 0.0243(13) Uani 1 1 d .
N2 N 0.6414(3) 0.1777(6) 0.4481(4) 0.0290(14) Uani 1 1 d .
H2 H 0.6318 0.0914 0.4601 0.035 Uiso 1 1 calc R
N3 N 0.7583(2) 0.8367(6) 0.7071(3) 0.0231(12) Uani 1 1 d .
N4 N 0.7299(2) 0.6683(6) 0.7702(3) 0.0240(13) Uani 1 1 d .
C1 C 0.6416(3) 0.5731(7) 0.4223(4) 0.0231(14) Uani 1 1 d .
C2 C 0.6445(3) 0.4120(7) 0.4291(4) 0.0200(13) Uani 1 1 d .
C3 C 0.6175(3) 0.3092(7) 0.4570(4) 0.0232(14) Uani 1 1 d .
C4 C 0.5668(3) 0.3139(8) 0.4796(4) 0.0238(14) Uani 1 1 d .
C5 C 0.6814(3) 0.2018(8) 0.4182(4) 0.0271(15) Uani 1 1 d .
C6 C 0.7162(4) 0.0843(9) 0.4020(5) 0.042(2) Uani 1 1 d .
H6A H 0.7564 0.1182 0.4139 0.062 Uiso 1 1 calc R
H6B H 0.6967 0.0579 0.3485 0.062 Uiso 1 1 calc R
H6C H 0.7180 0.0005 0.4333 0.062 Uiso 1 1 calc R
C7 C 0.6665(3) 0.8921(7) 0.5929(4) 0.0222(14) Uani 1 1 d .
C8 C 0.6986(3) 0.8064(7) 0.6642(4) 0.0209(13) Uani 1 1 d .
C9 C 0.6804(3) 0.7006(7) 0.7030(4) 0.0222(14) Uani 1 1 d .
C10 C 0.6245(3) 0.6225(7) 0.6879(4) 0.0221(14) Uani 1 1 d .
C11 C 0.7749(3) 0.7517(8) 0.7694(4) 0.0234(14) Uani 1 1 d .
C12 C 0.8367(4) 0.7505(11) 0.8331(5) 0.047(2) Uani 1 1 d .
H12A H 0.8510 0.8491 0.8455 0.070 Uiso 1 1 calc R
H12B H 0.8634 0.6970 0.8171 0.070 Uiso 1 1 calc R
H12C H 0.8356 0.7046 0.8778 0.070 Uiso 1 1 calc R
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 Tb1 O5 78.68(19) . .
O1 Tb1 O7 107.6(2) . .
O5 Tb1 O7 76.96(17) . .
O1 Tb1 O2W 81.8(2) . .
O5 Tb1 O2W 135.52(17) . .
O7 Tb1 O2W 147.42(18) . .
O1 Tb1 O3 75.79(17) . .
O5 Tb1 O3 134.28(16) . .
O7 Tb1 O3 75.58(17) . .
O2W Tb1 O3 76.86(16) . .
O1 Tb1 O1W 89.05(19) . .
O5 Tb1 O1W 69.02(17) . .
O7 Tb1 O1W 138.22(18) . .
O2W Tb1 O1W 71.10(18) . .
O3 Tb1 O1W 146.19(16) . .
O1 Tb1 O4 165.54(18) . 5_666
O5 Tb1 O4 95.19(17) . 5_666
O7 Tb1 O4 83.34(17) . 5_666
O2W Tb1 O4 93.97(17) . 5_666
O3 Tb1 O4 116.87(14) . 5_666
O1W Tb1 O4 76.51(17) . 5_666
O1 Tb1 O3 139.20(17) . 5_666
O5 Tb1 O3 139.21(16) . 5_666
O7 Tb1 O3 76.43(15) . 5_666
O2W Tb1 O3 76.66(16) . 5_666
O3 Tb1 O3 65.83(16) . 5_666
O1W Tb1 O3 115.33(16) . 5_666
O4 Tb1 O3 51.45(15) 5_666 5_666
O1 Tb1 C4 163.9(2) . 5_666
O5 Tb1 C4 117.40(19) . 5_666
O7 Tb1 C4 77.32(18) . 5_666
O2W Tb1 C4 86.20(18) . 5_666
O3 Tb1 C4 91.09(17) . 5_666
O1W Tb1 C4 97.20(19) . 5_666
O4 Tb1 C4 25.85(16) 5_666 5_666
O3 Tb1 C4 25.68(16) 5_666 5_666
N4 Co1 N3 94.6(2) 6_565 7_666
N4 Co1 O2 163.9(2) 6_565 .
N3 Co1 O2 91.4(2) 7_666 .
N4 Co1 N1 98.2(2) 6_565 .
N3 Co1 N1 166.4(2) 7_666 .
O2 Co1 N1 77.42(19) . .
N4 Co1 O6 99.1(2) 6_565 7_666
N3 Co1 O6 78.1(2) 7_666 7_666
O2 Co1 O6 96.73(19) . 7_666
N1 Co1 O6 95.2(2) . 7_666
N4 Co1 O8 77.82(19) 6_565 6_565
N3 Co1 O8 98.8(2) 7_666 6_565
O2 Co1 O8 86.49(18) . 6_565
N1 Co1 O8 88.4(2) . 6_565
O6 Co1 O8 175.58(17) 7_666 6_565
C1 O1 Tb1 156.0(5) . .
C1 O2 Co1 117.2(4) . .
C4 O3 Tb1 151.1(4) . .
C4 O3 Tb1 92.6(4) . 5_666
Tb1 O3 Tb1 114.17(16) . 5_666
C4 O4 Tb1 96.2(4) . 5_666
C7 O5 Tb1 138.8(4) . .
C7 O6 Co1 114.4(4) . 7_666
C10 O7 Tb1 147.4(4) . .
C10 O8 Co1 113.7(4) . 6_566
Tb1 O1W H11 109.0 . .
Tb1 O1W H12 109.6 . .
H11 O1W H12 109.5 . .
Tb1 O2W H21 108.9 . .
Tb1 O2W H22 109.7 . .
H21 O2W H22 109.9 . .
H31 O3W H32 109.5 . .
H41 O4W H42 109.7 . .
H41 O4W H51 109.4 . .
H42 O4W H51 102.3 . .
C5 N1 C2 106.1(5) . .
C5 N1 Co1 140.9(5) . .
C2 N1 Co1 111.3(4) . .
C5 N2 C3 109.2(6) . .
C5 N2 H2 125.4 . .
C3 N2 H2 125.4 . .
C11 N3 C8 105.4(5) . .
C11 N3 Co1 141.5(5) . 7_666
C8 N3 Co1 112.4(4) . 7_666
C11 N4 C9 105.6(5) . .
C11 N4 Co1 141.5(5) . 6_566
C9 N4 Co1 112.9(4) . 6_566
O1 C1 O2 123.4(6) . .
O1 C1 C2 120.0(6) . .
O2 C1 C2 116.6(6) . .
C3 C2 N1 109.5(6) . .
C3 C2 C1 134.6(6) . .
N1 C2 C1 115.9(5) . .
C2 C3 N2 104.8(5) . .
C2 C3 C4 133.6(6) . .
N2 C3 C4 120.8(6) . .
O3 C4 O4 119.3(6) . .
O3 C4 C3 122.4(6) . .
O4 C4 C3 118.3(6) . .
O3 C4 Tb1 61.7(3) . 5_666
O4 C4 Tb1 57.9(3) . 5_666
C3 C4 Tb1 172.8(5) . 5_666
N1 C5 N2 110.4(6) . .
N1 C5 C6 126.2(6) . .
N2 C5 C6 123.5(7) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O6 C7 O5 122.8(6) . .
O6 C7 C8 116.2(6) . .
O5 C7 C8 121.0(6) . .
N3 C8 C9 108.4(6) . .
N3 C8 C7 117.8(6) . .
C9 C8 C7 133.7(6) . .
N4 C9 C8 107.2(5) . .
N4 C9 C10 117.5(6) . .
C8 C9 C10 135.4(6) . .
O8 C10 O7 121.5(6) . .
O8 C10 C9 117.3(6) . .
O7 C10 C9 121.2(6) . .
N3 C11 N4 113.4(6) . .
N3 C11 C12 123.9(6) . .
N4 C11 C12 122.7(6) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.241(5) .
Tb1 O5 2.288(5) .
Tb1 O7 2.298(5) .
Tb1 O2W 2.361(5) .
Tb1 O3 2.413(5) .
Tb1 O1W 2.418(5) .
Tb1 O4 2.474(4) 5_666
Tb1 O3 2.557(4) 5_666
Tb1 C4 2.902(6) 5_666
Co1 N4 2.081(5) 6_565
Co1 N3 2.081(5) 7_666
Co1 O2 2.111(5) .
Co1 N1 2.135(6) .
Co1 O6 2.162(5) 7_666
Co1 O8 2.178(5) 6_565
O1 C1 1.253(7) .
O2 C1 1.257(7) .
O3 C4 1.259(8) .
O3 Tb1 2.557(4) 5_666
O4 C4 1.273(8) .
O4 Tb1 2.474(4) 5_666
O5 C7 1.261(8) .
O6 C7 1.260(7) .
O6 Co1 2.162(5) 7_666
O7 C10 1.286(8) .
O8 C10 1.262(8) .
O8 Co1 2.178(5) 6_566
O1W H11 0.8367 .
O1W H12 0.8423 .
O2W H21 0.8398 .
O2W H22 0.8470 .
O3W H31 0.8385 .
O3W H32 0.8409 .
O4W H41 0.8376 .
O4W H42 0.8418 .
O4W H51 1.4344 .
O5W H51 0.8378 .
O6W H61 0.8357 .
N1 C5 1.328(9) .
N1 C2 1.384(7) .
N2 C5 1.337(8) .
N2 C3 1.377(8) .
N2 H2 0.8800 .
N3 C11 1.334(9) .
N3 C8 1.366(8) .
N3 Co1 2.081(5) 7_666
N4 C11 1.340(8) .
N4 C9 1.375(8) .
N4 Co1 2.081(5) 6_566
C1 C2 1.478(9) .
C2 C3 1.374(9) .
C3 C4 1.466(8) .
C4 Tb1 2.902(6) 5_666
C5 C6 1.478(9) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.478(9) .
C8 C9 1.398(9) .
C9 C10 1.456(9) .
C11 C12 1.488(10) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H11 O4 0.84 2.12 2.803(7) 138.8 1_565
O1W H12 O3W 0.84 2.23 2.699(7) 115.0 .
O2W H21 O7 0.84 2.04 2.869(7) 171.4 5_666
O2W H22 O5W 0.85 2.06 2.626(16) 123.7 .
O3W H31 O4W 0.84 1.84 2.659(17) 163.4 .
O3W H32 O6W 0.84 2.21 3.013(19) 160.0 .
O4W H41 O2 0.84 1.87 2.701(18) 171.5 2_655
O4W H42 O1W 0.84 2.48 3.170(17) 140.4 2_655
O5W H51 O4W 0.84 1.43 2.25(3) 163.5 .
N2 H2 O6 0.88 2.34 2.866(7) 118.5 1_545
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
O5 Tb1 O1 C1 173.0(13) . .
O7 Tb1 O1 C1 100.8(13) . .
O2W Tb1 O1 C1 -47.2(13) . .
O3 Tb1 O1 C1 31.3(13) . .
O1W Tb1 O1 C1 -118.2(13) . .
O4 Tb1 O1 C1 -121.0(12) 5_666 .
O3 Tb1 O1 C1 11.3(14) 5_666 .
C4 Tb1 O1 C1 -4.9(18) 5_666 .
N4 Co1 O2 C1 70.4(9) 6_565 .
N3 Co1 O2 C1 -177.6(5) 7_666 .
N1 Co1 O2 C1 -5.5(5) . .
O6 Co1 O2 C1 -99.4(5) 7_666 .
O8 Co1 O2 C1 83.7(5) 6_565 .
O1 Tb1 O3 C4 -9.1(9) . .
O5 Tb1 O3 C4 -67.1(10) . .
O7 Tb1 O3 C4 -122.0(9) . .
O2W Tb1 O3 C4 75.6(9) . .
O1W Tb1 O3 C4 56.7(10) . .
O4 Tb1 O3 C4 163.4(9) 5_666 .
O3 Tb1 O3 C4 156.7(10) 5_666 .
C4 Tb1 O3 C4 161.4(8) 5_666 .
O1 Tb1 O3 Tb1 -165.8(2) . 5_666
O5 Tb1 O3 Tb1 136.2(2) . 5_666
O7 Tb1 O3 Tb1 81.4(2) . 5_666
O2W Tb1 O3 Tb1 -81.1(2) . 5_666
O1W Tb1 O3 Tb1 -99.9(3) . 5_666
O4 Tb1 O3 Tb1 6.7(2) 5_666 5_666
O3 Tb1 O3 Tb1 0.0 5_666 5_666
C4 Tb1 O3 Tb1 4.8(2) 5_666 5_666
O1 Tb1 O5 C7 -46.5(7) . .
O7 Tb1 O5 C7 64.9(7) . .
O2W Tb1 O5 C7 -112.2(7) . .
O3 Tb1 O5 C7 10.5(8) . .
O1W Tb1 O5 C7 -139.8(7) . .
O4 Tb1 O5 C7 146.8(7) 5_666 .
O3 Tb1 O5 C7 115.3(7) 5_666 .
C4 Tb1 O5 C7 132.9(7) 5_666 .
O1 Tb1 O7 C10 31.5(9) . .
O5 Tb1 O7 C10 -41.9(8) . .
O2W Tb1 O7 C10 134.2(8) . .
O3 Tb1 O7 C10 101.2(8) . .
O1W Tb1 O7 C10 -77.7(9) . .
O4 Tb1 O7 C10 -138.8(8) 5_666 .
O3 Tb1 O7 C10 169.3(9) 5_666 .
C4 Tb1 O7 C10 -164.4(9) 5_666 .
N4 Co1 N1 C5 8.7(8) 6_565 .
N3 Co1 N1 C5 -151.4(9) 7_666 .
O2 Co1 N1 C5 172.9(8) . .
O6 Co1 N1 C5 -91.3(8) 7_666 .
O8 Co1 N1 C5 86.2(8) 6_565 .
N4 Co1 N1 C2 -153.7(4) 6_565 .
N3 Co1 N1 C2 46.2(11) 7_666 .
O2 Co1 N1 C2 10.5(4) . .
O6 Co1 N1 C2 106.2(4) 7_666 .
O8 Co1 N1 C2 -76.3(4) 6_565 .
Tb1 O1 C1 O2 141.1(10) . .
Tb1 O1 C1 C2 -40.0(16) . .
Co1 O2 C1 O1 178.3(5) . .
Co1 O2 C1 C2 -0.6(8) . .
C5 N1 C2 C3 -1.6(8) . .
Co1 N1 C2 C3 167.0(5) . .
C5 N1 C2 C1 177.2(6) . .
Co1 N1 C2 C1 -14.3(7) . .
O1 C1 C2 C3 9.7(12) . .
O2 C1 C2 C3 -171.3(7) . .
O1 C1 C2 N1 -168.6(6) . .
O2 C1 C2 N1 10.4(9) . .
N1 C2 C3 N2 0.1(8) . .
C1 C2 C3 N2 -178.3(7) . .
N1 C2 C3 C4 -168.9(7) . .
C1 C2 C3 C4 12.7(14) . .
C5 N2 C3 C2 1.4(8) . .
C5 N2 C3 C4 172.2(6) . .
Tb1 O3 C4 O4 -164.7(6) . .
Tb1 O3 C4 O4 -5.9(7) 5_666 .
Tb1 O3 C4 C3 14.3(13) . .
Tb1 O3 C4 C3 173.1(6) 5_666 .
Tb1 O3 C4 Tb1 -158.8(9) . 5_666
Tb1 O4 C4 O3 6.1(7) 5_666 .
Tb1 O4 C4 C3 -172.9(5) 5_666 .
C2 C3 C4 O3 -19.2(12) . .
N2 C3 C4 O3 173.2(7) . .
C2 C3 C4 O4 159.8(8) . .
N2 C3 C4 O4 -7.8(10) . .
C2 C3 C4 Tb1 103(4) . 5_666
N2 C3 C4 Tb1 -64(4) . 5_666
C2 N1 C5 N2 2.5(8) . .
Co1 N1 C5 N2 -160.5(6) . .
C2 N1 C5 C6 -179.2(7) . .
Co1 N1 C5 C6 17.8(13) . .
C3 N2 C5 N1 -2.5(8) . .
C3 N2 C5 C6 179.1(7) . .
Co1 O6 C7 O5 168.9(5) 7_666 .
Co1 O6 C7 C8 -10.2(7) 7_666 .
Tb1 O5 C7 O6 125.6(6) . .
Tb1 O5 C7 C8 -55.4(10) . .
C11 N3 C8 C9 -0.1(7) . .
Co1 N3 C8 C9 -172.6(4) 7_666 .
C11 N3 C8 C7 176.3(6) . .
Co1 N3 C8 C7 3.8(7) 7_666 .
O6 C7 C8 N3 4.5(9) . .
O5 C7 C8 N3 -174.6(6) . .
O6 C7 C8 C9 179.8(7) . .
O5 C7 C8 C9 0.7(11) . .
C11 N4 C9 C8 -0.6(7) . .
Co1 N4 C9 C8 179.7(4) 6_566 .
C11 N4 C9 C10 178.9(6) . .
Co1 N4 C9 C10 -0.8(7) 6_566 .
N3 C8 C9 N4 0.4(7) . .
C7 C8 C9 N4 -175.2(7) . .
N3 C8 C9 C10 -178.9(7) . .
C7 C8 C9 C10 5.5(13) . .
Co1 O8 C10 O7 169.3(5) 6_566 .
Co1 O8 C10 C9 -10.1(7) 6_566 .
Tb1 O7 C10 O8 -160.3(6) . .
Tb1 O7 C10 C9 19.1(12) . .
N4 C9 C10 O8 7.7(9) . .
C8 C9 C10 O8 -173.0(7) . .
N4 C9 C10 O7 -171.7(6) . .
C8 C9 C10 O7 7.6(12) . .
C8 N3 C11 N4 -0.3(8) . .
Co1 N3 C11 N4 168.5(5) 7_666 .
C8 N3 C11 C12 -179.1(7) . .
Co1 N3 C11 C12 -10.3(12) 7_666 .
C9 N4 C11 N3 0.6(8) . .
Co1 N4 C11 N3 -179.8(5) 6_566 .
C9 N4 C11 C12 179.4(7) . .
Co1 N4 C11 C12 -1.0(13) 6_566 .
