#------------------------------------------------------------------------------
#$Date: 2019-11-17 13:04:36 +0200 (Sun, 17 Nov 2019) $
#$Revision: 230036 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/75/7047518.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_7047518
loop_
_publ_author_name
'Chao, Meng-Yao'
'Chen, Jing'
'Young, David J.'
'Zhang, Wen-Hua'
'Lang, Jian-Ping'
_publ_section_title
;
 Smoothing the single-crystal to single-crystal conversions of a
 two-dimensional metal-organic framework via the hetero-metal doping of
 the linear trimetallic secondary building unit.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13722
_journal_page_last               13729
_journal_paper_doi               10.1039/c8dt02813c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C37 H23 Cd1.13 Co0.38 N2 O6 S2 [+ solvent]'
_chemical_formula_sum            'C37 H23 Cd1.12 Co0.38 N2 O6 S2'
_chemical_formula_weight         804.24
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-07-09 deposited with the CCDC.
2018-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                116.369(5)
_cell_angle_beta                 105.982(5)
_cell_angle_gamma                98.879(5)
_cell_formula_units_Z            2
_cell_length_a                   13.029(3)
_cell_length_b                   16.264(3)
_cell_length_c                   16.856(4)
_cell_measurement_reflns_used    9867
_cell_measurement_temperature    248(2)
_cell_measurement_theta_max      28.46
_cell_measurement_theta_min      2.32
_cell_volume                     2913.5(11)
_computing_cell_refinement       'Bruker D8 Quest'
_computing_data_collection       'Bruker D8 Quest'
_computing_data_reduction        'Bruker D8 Quest'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      248(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_unetI/netI     0.0763
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            82345
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.682
_diffrn_reflns_theta_min         2.319
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Sheldrick, G.M. SADABS (Program for Scaling and Correction of Area Detector
 Data), version 2008/1; University of Göttingen: Göttingen, Germany, 2008.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    0.917
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             806
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.180
_refine_diff_density_max         2.645
_refine_diff_density_min         -1.428
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         11044
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.1497
_refine_ls_R_factor_gt           0.0983
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0800P)²+30.2676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2181
_refine_ls_wR_factor_ref         0.2578
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6816
_reflns_number_total             11044
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02813c2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7047515--7047518.cif.'
_cod_original_cell_volume        2913.4(10)
_cod_database_code               7047518
_publcif_datablock.id            {4a805750-8b7d-4908-a29b-8136dc5ed1fe}
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.860
_shelx_estimated_absorpt_t_max   0.896
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cd1 Cd 0.21418(7) -0.09184(5) 0.28510(5) 0.0389(2) Uani 0.75 1 d . . P A 1
Co1 Co 0.21418(7) -0.09184(5) 0.28510(5) 0.0389(2) Uani 0.25 1 d . . P A 2
Cd2 Cd 0.500000 0.000000 0.500000 0.0356(3) Uani 0.75 2 d S . P B 1
Co2 Co 0.500000 0.000000 0.500000 0.0356(3) Uani 0.25 2 d S . P B 2
S1 S 0.6419(3) -0.0084(3) 0.1390(2) 0.0719(9) Uani 1 1 d . . . . .
S2 S 0.6694(3) -0.1350(3) 0.0677(2) 0.0826(11) Uani 1 1 d . . . . .
O1 O 0.2618(6) 0.0639(4) 0.3758(5) 0.0543(18) Uani 1 1 d . . . . .
O2 O 0.4115(5) 0.1026(4) 0.5025(4) 0.0437(15) Uani 1 1 d . . . . .
O3 O 0.2863(7) 0.9042(5) 1.1804(5) 0.065(2) Uani 1 1 d . . . . .
O4 O 0.1894(7) 0.7633(5) 1.1437(5) 0.0597(19) Uani 1 1 d . . . . .
O5 O 0.1611(6) 0.8498(5) 0.3736(5) 0.0563(18) Uani 1 1 d . . . . .
O6 O 0.3385(5) 0.8775(4) 0.3938(4) 0.0410(14) Uani 1 1 d . . . . .
N1 N 0.5381(6) -0.0128(4) 0.3731(5) 0.0378(17) Uani 1 1 d . . . . .
N2 N 1.0344(8) -0.1016(6) 0.2140(6) 0.055(2) Uani 1 1 d . . . . .
C1 C 0.3360(8) 0.1220(6) 0.4573(6) 0.0339(19) Uani 1 1 d . . . . .
C2 C 0.3350(8) 0.2237(6) 0.5045(6) 0.0342(19) Uani 1 1 d . . . . .
C3 C 0.2675(9) 0.2545(7) 0.4525(6) 0.050(2) Uani 1 1 d . . . . .
H3 H 0.221159 0.210570 0.387461 0.060 Uiso 1 1 calc R U . . .
C4 C 0.2672(10) 0.3483(7) 0.4944(7) 0.059(3) Uani 1 1 d . . . . .
H4 H 0.222851 0.368317 0.456646 0.070 Uiso 1 1 calc R U . . .
C5 C 0.3305(9) 0.4144(6) 0.5910(6) 0.045(2) Uani 1 1 d . . . . .
C6 C 0.3977(9) 0.3832(6) 0.6421(7) 0.046(2) Uani 1 1 d . . . . .
H6 H 0.442879 0.426354 0.707583 0.055 Uiso 1 1 calc R U . . .
C7 C 0.3998(8) 0.2895(6) 0.5987(7) 0.044(2) Uani 1 1 d . . . . .
H7 H 0.447459 0.270348 0.635290 0.052 Uiso 1 1 calc R U . . .
C8 C 0.2471(9) 0.8137(7) 1.1236(7) 0.051(3) Uani 1 1 d . . . . .
C9 C 0.2693(8) 0.7715(7) 1.0360(6) 0.046(2) Uani 1 1 d . . . . .
C10 C 0.2195(11) 0.6725(8) 0.9689(8) 0.064(3) Uani 1 1 d . . . . .
H10 H 0.174620 0.632201 0.981184 0.077 Uiso 1 1 calc R U . . .
C11 C 0.2368(10) 0.6343(7) 0.8839(7) 0.058(3) Uani 1 1 d . . . . .
H11 H 0.203936 0.567534 0.838814 0.070 Uiso 1 1 calc R U . . .
C12 C 0.3003(9) 0.6916(7) 0.8650(7) 0.047(2) Uani 1 1 d . . . . .
C13 C 0.3485(10) 0.7873(7) 0.9296(7) 0.058(3) Uani 1 1 d . . . . .
H13 H 0.392694 0.827174 0.916436 0.070 Uiso 1 1 calc R U . . .
C14 C 0.3329(9) 0.8266(7) 1.0146(7) 0.058(3) Uani 1 1 d . . . . .
H14 H 0.367109 0.893433 1.059077 0.070 Uiso 1 1 calc R U . . .
C15 C 0.2559(9) 0.8451(6) 0.4088(6) 0.039(2) Uani 1 1 d . . . . .
C16 C 0.2723(8) 0.7988(6) 0.4674(6) 0.036(2) Uani 1 1 d . . . . .
C17 C 0.2084(9) 0.8023(7) 0.5218(7) 0.047(2) Uani 1 1 d . . . . .
H17 H 0.155850 0.835944 0.522479 0.056 Uiso 1 1 calc R U . . .
C18 C 0.2205(9) 0.7573(6) 0.5746(7) 0.046(2) Uani 1 1 d . . . . .
H18 H 0.176690 0.760902 0.611269 0.055 Uiso 1 1 calc R U . . .
C19 C 0.2966(10) 0.7071(6) 0.5741(6) 0.049(3) Uani 1 1 d . . . . .
C20 C 0.3603(9) 0.7032(6) 0.5188(6) 0.045(2) Uani 1 1 d . . . . .
H20 H 0.411775 0.668425 0.516897 0.055 Uiso 1 1 calc R U . . .
C21 C 0.3491(8) 0.7490(6) 0.4674(6) 0.040(2) Uani 1 1 d . . . . .
H21 H 0.394013 0.746679 0.431750 0.048 Uiso 1 1 calc R U . . .
C22 C 0.3247(9) 0.5137(6) 0.6371(7) 0.045(2) Uani 1 1 d . . . . .
C23 C 0.3213(9) 0.5573(6) 0.7270(6) 0.046(2) Uani 1 1 d . . . . .
H23 H 0.325779 0.523950 0.760604 0.055 Uiso 1 1 calc R U . . .
C24 C 0.3115(9) 0.6473(6) 0.7685(6) 0.045(2) Uani 1 1 d . . . . .
C25 C 0.3042(8) 0.6971(6) 0.7186(6) 0.044(2) Uani 1 1 d . . . . .
H25 H 0.297398 0.759435 0.746955 0.052 Uiso 1 1 calc R U . . .
C26 C 0.3070(9) 0.6555(6) 0.6280(7) 0.046(2) Uani 1 1 d . . . . .
C27 C 0.3198(9) 0.5650(6) 0.5905(6) 0.045(2) Uani 1 1 d . . . . .
H27 H 0.325319 0.537045 0.530276 0.054 Uiso 1 1 calc R U . . .
C28 C 0.5863(11) -0.0731(7) 0.3322(7) 0.061(3) Uani 1 1 d . . . . .
H28 H 0.597656 -0.118135 0.351566 0.074 Uiso 1 1 calc R U . . .
C29 C 0.6232(11) -0.0756(8) 0.2598(8) 0.067(3) Uani 1 1 d . . . . .
H29 H 0.663455 -0.117246 0.235680 0.080 Uiso 1 1 calc R U . . .
C30 C 0.5989(8) -0.0168(7) 0.2269(7) 0.050(2) Uani 1 1 d . . . . .
C31 C 0.5433(8) 0.0442(7) 0.2658(6) 0.045(2) Uani 1 1 d . . . . .
H31 H 0.526485 0.086892 0.244502 0.055 Uiso 1 1 calc R U . . .
C32 C 0.5123(8) 0.0429(7) 0.3361(7) 0.046(2) Uani 1 1 d . . . . .
H32 H 0.470479 0.083079 0.360076 0.055 Uiso 1 1 calc R U . . .
C33 C 0.8125(10) -0.1165(9) 0.1285(8) 0.061(3) Uani 1 1 d . . . . .
C34 C 0.8808(10) -0.0383(10) 0.2095(10) 0.073(3) Uani 1 1 d . . . . .
H34 H 0.855566 0.014690 0.237287 0.088 Uiso 1 1 calc R U . . .
C35 C 0.9898(11) -0.0330(9) 0.2546(8) 0.081(4) Uani 1 1 d . . . . .
H35 H 1.034293 0.020855 0.316075 0.098 Uiso 1 1 calc R U . . .
C36 C 0.9607(12) -0.1808(8) 0.1281(14) 0.119(7) Uani 1 1 d . . . . .
H36 H 0.987628 -0.229999 0.093910 0.142 Uiso 1 1 calc R U . . .
C37 C 0.8516(11) -0.1904(10) 0.0912(8) 0.080(4) Uani 1 1 d . . . . .
H37 H 0.801368 -0.250152 0.037934 0.096 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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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 Cd1 O3 98.5(3) . 1_544
O1 Cd1 N2 91.3(3) . 1_455
O3 Cd1 N2 102.4(3) 1_544 1_455
O1 Cd1 O5 103.8(3) . 1_545
O3 Cd1 O5 153.9(3) 1_544 1_545
N2 Cd1 O5 90.5(3) 1_455 1_545
O1 Cd1 O6 98.5(2) . 1_545
O3 Cd1 O6 108.0(3) 1_544 1_545
N2 Cd1 O6 146.2(3) 1_455 1_545
O5 Cd1 O6 55.8(2) 1_545 1_545
O1 Cd1 O4 153.9(2) . 1_544
O3 Cd1 O4 55.9(2) 1_544 1_544
N2 Cd1 O4 89.4(3) 1_455 1_544
O5 Cd1 O4 102.3(3) 1_545 1_544
O6 Cd1 O4 95.4(2) 1_545 1_544
O1 Cd1 C8 126.4(3) . 1_544
O3 Cd1 C8 28.1(3) 1_544 1_544
N2 Cd1 C8 96.4(3) 1_455 1_544
O5 Cd1 C8 128.9(3) 1_545 1_544
O6 Cd1 C8 103.4(3) 1_545 1_544
O4 Cd1 C8 27.8(3) 1_544 1_544
O1 Cd1 C15 104.2(2) . 1_545
O3 Cd1 C15 132.5(3) 1_544 1_545
N2 Cd1 C15 118.0(3) 1_455 1_545
O5 Cd1 C15 27.7(2) 1_545 1_545
O6 Cd1 C15 28.2(2) 1_545 1_545
O4 Cd1 C15 98.5(2) 1_544 1_545
C8 Cd1 C15 117.9(3) 1_544 1_545
O1 Co1 O3 98.5(3) . 1_544
O1 Co1 N2 91.3(3) . 1_455
O3 Co1 N2 102.4(3) 1_544 1_455
O1 Co1 O5 103.8(3) . 1_545
O3 Co1 O5 153.9(3) 1_544 1_545
N2 Co1 O5 90.5(3) 1_455 1_545
O1 Co1 O6 98.5(2) . 1_545
O3 Co1 O6 108.0(3) 1_544 1_545
N2 Co1 O6 146.2(3) 1_455 1_545
O5 Co1 O6 55.8(2) 1_545 1_545
O1 Co1 O4 153.9(2) . 1_544
O3 Co1 O4 55.9(2) 1_544 1_544
N2 Co1 O4 89.4(3) 1_455 1_544
O5 Co1 O4 102.3(3) 1_545 1_544
O6 Co1 O4 95.4(2) 1_545 1_544
O2 Cd2 O2 180.0(4) . 2_656
O2 Cd2 O6 90.4(2) . 2_666
O2 Cd2 O6 89.6(2) 2_656 2_666
O2 Cd2 O6 89.6(2) . 1_545
O2 Cd2 O6 90.4(2) 2_656 1_545
O6 Cd2 O6 180.0 2_666 1_545
O2 Cd2 N1 93.2(2) . .
O2 Cd2 N1 86.8(2) 2_656 .
O6 Cd2 N1 92.6(2) 2_666 .
O6 Cd2 N1 87.4(2) 1_545 .
O2 Cd2 N1 86.8(2) . 2_656
O2 Cd2 N1 93.2(2) 2_656 2_656
O6 Cd2 N1 87.4(2) 2_666 2_656
O6 Cd2 N1 92.6(2) 1_545 2_656
N1 Cd2 N1 180.0 . 2_656
O2 Co2 O2 180.0(4) . 2_656
O2 Co2 O6 90.4(2) . 2_666
O2 Co2 O6 89.6(2) 2_656 2_666
O2 Co2 O6 89.6(2) . 1_545
O2 Co2 O6 90.4(2) 2_656 1_545
O6 Co2 O6 180.0 2_666 1_545
O2 Co2 N1 93.2(2) . .
O2 Co2 N1 86.8(2) 2_656 .
O6 Co2 N1 92.6(2) 2_666 .
O6 Co2 N1 87.4(2) 1_545 .
O2 Co2 N1 86.8(2) . 2_656
O2 Co2 N1 93.2(2) 2_656 2_656
O6 Co2 N1 87.4(2) 2_666 2_656
O6 Co2 N1 92.6(2) 1_545 2_656
N1 Co2 N1 180.0 . 2_656
C30 S1 S2 104.9(4) . .
C33 S2 S1 106.4(4) . .
C1 O1 Cd1 131.9(6) . .
C1 O1 Co1 131.9(6) . .
C1 O2 Cd2 147.5(6) . .
C1 O2 Co2 147.5(6) . .
C8 O3 Cd1 96.8(6) . 1_566
C8 O4 Cd1 88.6(6) . 1_566
C15 O5 Cd1 93.6(5) . 1_565
C15 O6 Cd2 128.8(5) . 1_565
C15 O6 Cd1 89.0(5) . 1_565
Cd2 O6 Cd1 115.1(2) 1_565 1_565
C28 N1 C32 116.1(8) . .
C28 N1 Co2 122.3(6) . .
C32 N1 Co2 121.6(6) . .
C28 N1 Cd2 122.3(6) . .
C32 N1 Cd2 121.6(6) . .
C35 N2 C36 114.6(10) . .
C35 N2 Cd1 122.9(7) . 1_655
C36 N2 Cd1 122.4(8) . 1_655
O2 C1 O1 125.6(8) . .
O2 C1 C2 117.0(8) . .
O1 C1 C2 117.4(8) . .
C7 C2 C3 117.5(8) . .
C7 C2 C1 122.5(8) . .
C3 C2 C1 120.0(8) . .
C4 C3 C2 120.8(9) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 121.6(9) . .
C3 C4 H4 119.2 . .
C5 C4 H4 119.2 . .
C6 C5 C4 117.1(8) . .
C6 C5 C22 121.4(8) . .
C4 C5 C22 121.4(8) . .
C5 C6 C7 120.7(9) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C2 C7 C6 122.2(9) . .
C2 C7 H7 118.9 . .
C6 C7 H7 118.9 . .
O4 C8 O3 118.7(8) . .
O4 C8 C9 122.1(9) . .
O3 C8 C9 119.2(9) . .
O4 C8 Cd1 63.6(5) . 1_566
O3 C8 Cd1 55.1(5) . 1_566
C9 C8 Cd1 174.1(7) . 1_566
C14 C9 C10 118.0(9) . .
C14 C9 C8 121.9(9) . .
C10 C9 C8 119.9(9) . .
C11 C10 C9 119.3(10) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C12 C11 C10 120.9(9) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C13 C12 C11 120.0(8) . .
C13 C12 C24 121.0(8) . .
C11 C12 C24 119.0(8) . .
C12 C13 C14 120.0(9) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C9 C14 C13 121.7(9) . .
C9 C14 H14 119.1 . .
C13 C14 H14 119.1 . .
O5 C15 O6 121.3(8) . .
O5 C15 C16 119.8(8) . .
O6 C15 C16 118.9(9) . .
O5 C15 Cd1 58.7(4) . 1_565
O6 C15 Cd1 62.9(4) . 1_565
C16 C15 Cd1 173.4(6) . 1_565
C21 C16 C17 118.5(8) . .
C21 C16 C15 120.9(8) . .
C17 C16 C15 120.5(8) . .
C18 C17 C16 121.2(9) . .
C18 C17 H17 119.4 . .
C16 C17 H17 119.4 . .
C17 C18 C19 120.3(8) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C18 C19 C20 118.4(8) . .
C18 C19 C26 120.5(8) . .
C20 C19 C26 121.1(8) . .
C21 C20 C19 121.2(8) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C20 C21 C16 120.4(8) . .
C20 C21 H21 119.8 . .
C16 C21 H21 119.8 . .
C27 C22 C23 117.7(8) . .
C27 C22 C5 120.9(8) . .
C23 C22 C5 121.4(7) . .
C24 C23 C22 121.8(7) . .
C24 C23 H23 119.1 . .
C22 C23 H23 119.1 . .
C23 C24 C25 119.4(8) . .
C23 C24 C12 120.9(7) . .
C25 C24 C12 119.6(7) . .
C26 C25 C24 120.5(7) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C27 C26 C25 117.6(8) . .
C27 C26 C19 121.8(8) . .
C25 C26 C19 120.6(8) . .
C22 C27 C26 123.0(8) . .
C22 C27 H27 118.5 . .
C26 C27 H27 118.5 . .
N1 C28 C29 123.9(9) . .
N1 C28 H28 118.1 . .
C29 C28 H28 118.1 . .
C30 C29 C28 118.0(9) . .
C30 C29 H29 121.0 . .
C28 C29 H29 121.0 . .
C29 C30 C31 119.0(9) . .
C29 C30 S1 123.8(8) . .
C31 C30 S1 117.1(7) . .
C30 C31 C32 119.2(9) . .
C30 C31 H31 120.4 . .
C32 C31 H31 120.4 . .
N1 C32 C31 123.5(9) . .
N1 C32 H32 118.2 . .
C31 C32 H32 118.2 . .
C34 C33 C37 118.0(12) . .
C34 C33 S2 124.8(9) . .
C37 C33 S2 117.1(10) . .
C33 C34 C35 120.5(11) . .
C33 C34 H34 119.8 . .
C35 C34 H34 119.8 . .
N2 C35 C34 122.5(11) . .
N2 C35 H35 118.7 . .
C34 C35 H35 118.7 . .
C37 C36 N2 122.1(11) . .
C37 C36 H36 119.0 . .
N2 C36 H36 119.0 . .
C33 C37 C36 121.3(12) . .
C33 C37 H37 119.3 . .
C36 C37 H37 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.165(6) .
Cd1 O3 2.198(6) 1_544
Cd1 N2 2.263(9) 1_455
Cd1 O5 2.287(6) 1_545
Cd1 O6 2.378(6) 1_545
Cd1 O4 2.385(7) 1_544
Cd1 C8 2.662(9) 1_544
Cd1 C15 2.672(8) 1_545
Co1 O1 2.165(6) .
Co1 O3 2.198(6) 1_544
Co1 N2 2.263(9) 1_455
Co1 O5 2.287(6) 1_545
Co1 O6 2.378(6) 1_545
Co1 O4 2.385(7) 1_544
Cd2 O2 2.163(6) .
Cd2 O2 2.163(6) 2_656
Cd2 O6 2.250(6) 2_666
Cd2 O6 2.250(6) 1_545
Cd2 N1 2.255(7) .
Cd2 N1 2.255(7) 2_656
Co2 O2 2.163(6) .
Co2 O2 2.163(6) 2_656
Co2 O6 2.250(6) 2_666
Co2 O6 2.250(6) 1_545
Co2 N1 2.255(7) .
Co2 N1 2.255(7) 2_656
S1 C30 1.772(9) .
S1 S2 2.019(5) .
S2 C33 1.766(13) .
O1 C1 1.244(11) .
O2 C1 1.242(10) .
O3 C8 1.262(11) .
O4 C8 1.244(12) .
O5 C15 1.244(11) .
O6 C15 1.262(10) .
N1 C28 1.288(11) .
N1 C32 1.342(11) .
N2 C35 1.338(14) .
N2 C36 1.369(17) .
C1 C2 1.487(11) .
C2 C7 1.361(12) .
C2 C3 1.377(12) .
C3 C4 1.369(12) .
C3 H3 0.9400 .
C4 C5 1.386(13) .
C4 H4 0.9400 .
C5 C6 1.370(13) .
C5 C22 1.473(11) .
C6 C7 1.376(12) .
C6 H6 0.9400 .
C7 H7 0.9400 .
C8 C9 1.460(12) .
C9 C14 1.358(14) .
C9 C10 1.396(14) .
C10 C11 1.385(13) .
C10 H10 0.9400 .
C11 C12 1.351(13) .
C11 H11 0.9400 .
C12 C13 1.349(13) .
C12 C24 1.520(11) .
C13 C14 1.375(13) .
C13 H13 0.9400 .
C14 H14 0.9400 .
C15 C16 1.478(11) .
C16 C21 1.381(12) .
C16 C17 1.388(12) .
C17 C18 1.374(12) .
C17 H17 0.9400 .
C18 C19 1.378(13) .
C18 H18 0.9400 .
C19 C20 1.398(13) .
C19 C26 1.482(11) .
C20 C21 1.365(12) .
C20 H20 0.9400 .
C21 H21 0.9400 .
C22 C27 1.374(12) .
C22 C23 1.376(12) .
C23 C24 1.358(11) .
C23 H23 0.9400 .
C24 C25 1.399(12) .
C25 C26 1.383(12) .
C25 H25 0.9400 .
C26 C27 1.379(12) .
C27 H27 0.9400 .
C28 C29 1.416(14) .
C28 H28 0.9400 .
C29 C30 1.338(14) .
C29 H29 0.9400 .
C30 C31 1.359(13) .
C31 C32 1.361(12) .
C31 H31 0.9400 .
C32 H32 0.9400 .
C33 C34 1.309(16) .
C33 C37 1.339(16) .
C34 C35 1.382(16) .
C34 H34 0.9400 .
C35 H35 0.9400 .
C36 C37 1.338(19) .
C36 H36 0.9400 .
C37 H37 0.9400 .
loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max
