#------------------------------------------------------------------------------
#$Date: 2020-07-06 06:02:04 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253882 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/41/7704155.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_7704155
loop_
_publ_author_name
'Cheng, Ming-Chuan'
'Huang, Rui-Xiang'
'Liu, Yu-Chiao'
'Chiang, Ming-Hsi'
'Lee, Gene-Hsiang'
'Song, You'
'Lin, Tien-Sung'
'Peng, Shie-Ming'
_publ_section_title
;
 Structures and paramagnetism of five heterometallic pentanuclear metal
 strings containing as many as four different metals:
 NiPtCo₂Pd(tpda)₄Cl₂.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7299
_journal_page_last               7303
_journal_paper_doi               10.1039/d0dt01088j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C44 H42 Cl2 Co2 N12 O Pt'
_chemical_formula_weight         1138.74
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-13 deposited with the CCDC.	2020-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.7811(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0911(2)
_cell_length_b                   15.7779(2)
_cell_length_c                   17.0753(2)
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.75
_cell_volume                     4295.23(9)
_computing_cell_refinement       Denzo-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        Denzo-SMN
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22297
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.765
_exptl_absorpt_coefficient_mu    4.188
_exptl_absorpt_correction_T_max  0.637
_exptl_absorpt_correction_T_min  0.382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.046
_refine_diff_density_min         -2.403
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     561
_refine_ls_number_reflns         9783
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0388
_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)+(0.0436P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0885
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7291
_reflns_number_total             9783
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01088j2.cif
_cod_data_source_block           ic15153
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not_measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704154--7704159.cif.
;
_cod_original_cell_volume        4295.22(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7704155
_shelx_shelxl_version_number     2018/3
_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   0.260
_shelx_estimated_absorpt_t_max   0.679
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.24550(2) 0.48118(2) 0.23875(2) 0.02081(6) Uani 1 1 d . . . . .
Co1 Co 0.35428(4) 0.41204(4) 0.16777(3) 0.02418(14) Uani 1 1 d . . . . .
Co2 Co 0.13563(4) 0.54968(4) 0.30945(3) 0.02271(14) Uani 1 1 d . . . . .
Cl1 Cl 0.45455(8) 0.34365(8) 0.10444(7) 0.0375(3) Uani 1 1 d . . . . .
Cl2 Cl 0.03392(8) 0.61360(8) 0.37631(7) 0.0338(3) Uani 1 1 d . . . . .
N1 N 0.4233(2) 0.4209(2) 0.2848(2) 0.0265(9) Uani 1 1 d . . . . .
N2 N 0.3016(2) 0.4325(2) 0.34182(19) 0.0237(8) Uani 1 1 d . . . . .
N3 N 0.1786(2) 0.4536(2) 0.3965(2) 0.0242(8) Uani 1 1 d . . . . .
N4 N 0.2935(2) 0.2994(2) 0.2041(2) 0.0261(9) Uani 1 1 d . . . . .
N5 N 0.1735(2) 0.3759(2) 0.22021(19) 0.0219(8) Uani 1 1 d . . . . .
N6 N 0.0573(2) 0.4548(2) 0.2430(2) 0.0252(8) Uani 1 1 d . . . . .
N7 N 0.2572(2) 0.4265(2) 0.0683(2) 0.0282(9) Uani 1 1 d . . . . .
N8 N 0.1886(2) 0.5280(2) 0.1351(2) 0.0254(9) Uani 1 1 d . . . . .
N9 N 0.1145(2) 0.6251(2) 0.2017(2) 0.0256(9) Uani 1 1 d . . . . .
N10 N 0.3916(2) 0.5423(2) 0.15639(19) 0.0244(8) Uani 1 1 d . . . . .
N11 N 0.3186(2) 0.5858(2) 0.25639(19) 0.0221(8) Uani 1 1 d . . . . .
N12 N 0.2421(2) 0.6266(2) 0.35728(19) 0.0243(8) Uani 1 1 d . . . . .
C1 C 0.2574(3) 0.3723(3) 0.0072(3) 0.0379(13) Uani 1 1 d . . . . .
H1 H 0.305441 0.337543 0.005845 0.046 Uiso 1 1 calc R U . . .
C2 C 0.1922(4) 0.3646(3) -0.0534(3) 0.0440(14) Uani 1 1 d . . . . .
H2 H 0.195073 0.325220 -0.095037 0.053 Uiso 1 1 calc R U . . .
C3 C 0.1224(4) 0.4152(3) -0.0523(3) 0.0429(14) Uani 1 1 d . . . . .
H3 H 0.076275 0.410657 -0.093111 0.051 Uiso 1 1 calc R U . . .
C4 C 0.1201(3) 0.4727(3) 0.0086(3) 0.0352(12) Uani 1 1 d . . . . .
H4 H 0.072698 0.508393 0.009793 0.042 Uiso 1 1 calc R U . . .
C5 C 0.1894(3) 0.4776(3) 0.0691(2) 0.0275(11) Uani 1 1 d . . . . .
C6 C 0.1416(3) 0.6010(3) 0.1340(2) 0.0252(10) Uani 1 1 d . . . . .
C7 C 0.1255(3) 0.6534(3) 0.0657(3) 0.0344(12) Uani 1 1 d . . . . .
H7 H 0.148582 0.638971 0.019126 0.041 Uiso 1 1 calc R U . . .
C8 C 0.0769(3) 0.7243(3) 0.0671(3) 0.0371(12) Uani 1 1 d . . . . .
H8 H 0.064187 0.758094 0.020921 0.045 Uiso 1 1 calc R U . . .
C9 C 0.0465(3) 0.7464(3) 0.1360(3) 0.0385(13) Uani 1 1 d . . . . .
H9 H 0.011780 0.794852 0.138221 0.046 Uiso 1 1 calc R U . . .
C10 C 0.0679(3) 0.6962(3) 0.2012(3) 0.0324(11) Uani 1 1 d . . . . .
H10 H 0.048752 0.712641 0.249183 0.039 Uiso 1 1 calc R U . . .
C11 C 0.3374(3) 0.2260(3) 0.2106(3) 0.0331(11) Uani 1 1 d . . . . .
H11 H 0.394540 0.227679 0.202366 0.040 Uiso 1 1 calc R U . . .
C12 C 0.3044(3) 0.1496(3) 0.2285(3) 0.0373(12) Uani 1 1 d . . . . .
H12 H 0.337743 0.099633 0.232263 0.045 Uiso 1 1 calc R U . . .
C13 C 0.2208(3) 0.1471(3) 0.2409(3) 0.0365(12) Uani 1 1 d . . . . .
H13 H 0.195381 0.094818 0.251724 0.044 Uiso 1 1 calc R U . . .
C14 C 0.1754(3) 0.2213(3) 0.2374(2) 0.0295(11) Uani 1 1 d . . . . .
H14 H 0.118762 0.220605 0.247478 0.035 Uiso 1 1 calc R U . . .
C15 C 0.2125(3) 0.2979(3) 0.2189(2) 0.0231(10) Uani 1 1 d . . . . .
C16 C 0.0883(3) 0.3861(3) 0.2083(2) 0.0257(10) Uani 1 1 d . . . . .
C17 C 0.0340(3) 0.3321(3) 0.1594(2) 0.0285(11) Uani 1 1 d . . . . .
H17 H 0.055743 0.284841 0.134214 0.034 Uiso 1 1 calc R U . . .
C18 C -0.0502(3) 0.3484(3) 0.1486(3) 0.0327(12) Uani 1 1 d . . . . .
H18 H -0.087512 0.311911 0.116613 0.039 Uiso 1 1 calc R U . . .
C19 C -0.0812(3) 0.4183(3) 0.1845(3) 0.0356(12) Uani 1 1 d . . . . .
H19 H -0.139599 0.430421 0.178020 0.043 Uiso 1 1 calc R U . . .
C20 C -0.0247(3) 0.4695(3) 0.2297(3) 0.0308(11) Uani 1 1 d . . . . .
H20 H -0.045461 0.518450 0.252858 0.037 Uiso 1 1 calc R U . . .
C21 C 0.5075(3) 0.4271(3) 0.2887(3) 0.0354(12) Uani 1 1 d . . . . .
H21 H 0.530977 0.427627 0.240632 0.042 Uiso 1 1 calc R U . . .
C22 C 0.5608(3) 0.4326(3) 0.3581(3) 0.0447(14) Uani 1 1 d . . . . .
H22 H 0.619596 0.438324 0.358494 0.054 Uiso 1 1 calc R U . . .
C23 C 0.5256(3) 0.4295(3) 0.4275(3) 0.0421(13) Uani 1 1 d . . . . .
H23 H 0.560762 0.429638 0.476881 0.051 Uiso 1 1 calc R U . . .
C24 C 0.4394(3) 0.4261(3) 0.4253(3) 0.0359(12) Uani 1 1 d . . . . .
H24 H 0.415360 0.425188 0.473083 0.043 Uiso 1 1 calc R U . . .
C25 C 0.3871(3) 0.4239(3) 0.3516(2) 0.0251(10) Uani 1 1 d . . . . .
C26 C 0.2535(3) 0.4135(3) 0.4002(2) 0.0249(10) Uani 1 1 d . . . . .
C27 C 0.2759(3) 0.3519(3) 0.4596(3) 0.0358(12) Uani 1 1 d . . . . .
H27 H 0.327303 0.321891 0.461402 0.043 Uiso 1 1 calc R U . . .
C28 C 0.2226(4) 0.3356(3) 0.5150(3) 0.0413(13) Uani 1 1 d . . . . .
H28 H 0.238216 0.295889 0.556149 0.050 Uiso 1 1 calc R U . . .
C29 C 0.1471(3) 0.3772(3) 0.5102(3) 0.0383(13) Uani 1 1 d . . . . .
H29 H 0.109738 0.366789 0.547701 0.046 Uiso 1 1 calc R U . . .
C30 C 0.1272(3) 0.4339(3) 0.4503(3) 0.0325(11) Uani 1 1 d . . . . .
H30 H 0.074074 0.461135 0.446033 0.039 Uiso 1 1 calc R U . . .
C31 C 0.4445(3) 0.5593(3) 0.1026(2) 0.0315(11) Uani 1 1 d . . . . .
H31 H 0.456956 0.514538 0.068864 0.038 Uiso 1 1 calc R U . . .
C32 C 0.4806(3) 0.6359(3) 0.0937(3) 0.0347(12) Uani 1 1 d . . . . .
H32 H 0.517622 0.644029 0.055489 0.042 Uiso 1 1 calc R U . . .
C33 C 0.4617(3) 0.7017(3) 0.1420(3) 0.0342(12) Uani 1 1 d . . . . .
H33 H 0.486156 0.756076 0.138083 0.041 Uiso 1 1 calc R U . . .
C34 C 0.4063(3) 0.6869(3) 0.1962(3) 0.0295(11) Uani 1 1 d . . . . .
H34 H 0.390661 0.732008 0.228031 0.035 Uiso 1 1 calc R U . . .
C35 C 0.3734(3) 0.6055(3) 0.2041(2) 0.0244(10) Uani 1 1 d . . . . .
C36 C 0.3149(3) 0.6306(3) 0.3262(2) 0.0226(10) Uani 1 1 d . . . . .
C37 C 0.3858(3) 0.6723(3) 0.3675(2) 0.0296(11) Uani 1 1 d . . . . .
H37 H 0.437973 0.672077 0.347241 0.036 Uiso 1 1 calc R U . . .
C38 C 0.3780(3) 0.7130(3) 0.4374(3) 0.0368(13) Uani 1 1 d . . . . .
H38 H 0.424451 0.742742 0.464837 0.044 Uiso 1 1 calc R U . . .
C39 C 0.3026(3) 0.7107(3) 0.4676(3) 0.0344(12) Uani 1 1 d . . . . .
H39 H 0.296054 0.739200 0.515337 0.041 Uiso 1 1 calc R U . . .
C40 C 0.2376(3) 0.6662(3) 0.4269(2) 0.0312(11) Uani 1 1 d . . . . .
H40 H 0.186475 0.663005 0.448703 0.037 Uiso 1 1 calc R U . . .
O1 O 0.7326(2) 0.4327(2) 0.24820(18) 0.0399(9) Uani 1 1 d . . . . .
C41 C 0.8108(3) 0.4331(4) 0.3766(3) 0.0440(14) Uani 1 1 d . . . . .
H41A H 0.854862 0.467028 0.357279 0.066 Uiso 1 1 calc R U . . .
H41B H 0.835687 0.396991 0.420219 0.066 Uiso 1 1 calc R U . . .
H41C H 0.769293 0.470932 0.395226 0.066 Uiso 1 1 calc R U . . .
C42 C 0.7689(4) 0.3789(4) 0.3109(3) 0.0504(15) Uani 1 1 d . . . . .
H42A H 0.810385 0.340501 0.291727 0.060 Uiso 1 1 calc R U . . .
H42B H 0.724717 0.343899 0.330109 0.060 Uiso 1 1 calc R U . . .
C43 C 0.6956(3) 0.3857(3) 0.1826(3) 0.0413(13) Uani 1 1 d . . . . .
H43A H 0.645333 0.355472 0.195736 0.050 Uiso 1 1 calc R U . . .
H43B H 0.735786 0.343267 0.167356 0.050 Uiso 1 1 calc R U . . .
C44 C 0.6709(4) 0.4481(4) 0.1145(3) 0.0530(16) Uani 1 1 d . . . . .
H44A H 0.633932 0.491833 0.131391 0.079 Uiso 1 1 calc R U . . .
H44B H 0.641574 0.417551 0.068949 0.079 Uiso 1 1 calc R U . . .
H44C H 0.721523 0.474751 0.099596 0.079 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'
Cl Cl 0.1484 0.1585 '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'
Pt Pt -1.7033 8.3905 '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
_geom_angle_publ_flag
N2 Pt1 N8 179.06(14) . . ?
N2 Pt1 N5 90.18(14) . . ?
N8 Pt1 N5 88.91(14) . . ?
N2 Pt1 N11 89.90(14) . . ?
N8 Pt1 N11 91.01(14) . . ?
N5 Pt1 N11 179.21(14) . . ?
N2 Pt1 Co1 89.84(10) . . ?
N8 Pt1 Co1 89.92(10) . . ?
N5 Pt1 Co1 89.39(10) . . ?
N11 Pt1 Co1 89.83(10) . . ?
N2 Pt1 Co2 90.30(10) . . ?
N8 Pt1 Co2 89.93(10) . . ?
N5 Pt1 Co2 90.19(10) . . ?
N11 Pt1 Co2 90.59(10) . . ?
Co1 Pt1 Co2 179.56(2) . . ?
N1 Co1 N10 84.64(13) . . ?
N1 Co1 N7 161.80(14) . . ?
N10 Co1 N7 90.54(14) . . ?
N1 Co1 N4 89.10(14) . . ?
N10 Co1 N4 162.25(14) . . ?
N7 Co1 N4 90.28(14) . . ?
N1 Co1 Cl1 99.09(10) . . ?
N10 Co1 Cl1 100.42(11) . . ?
N7 Co1 Cl1 99.04(10) . . ?
N4 Co1 Cl1 96.96(11) . . ?
N1 Co1 Pt1 80.20(10) . . ?
N10 Co1 Pt1 81.39(10) . . ?
N7 Co1 Pt1 81.73(10) . . ?
N4 Co1 Pt1 81.18(10) . . ?
Cl1 Co1 Pt1 178.00(4) . . ?
N12 Co2 N3 88.32(13) . . ?
N12 Co2 N6 162.70(14) . . ?
N3 Co2 N6 89.14(14) . . ?
N12 Co2 N9 92.16(13) . . ?
N3 Co2 N9 163.54(14) . . ?
N6 Co2 N9 85.52(13) . . ?
N12 Co2 Cl2 98.28(10) . . ?
N3 Co2 Cl2 98.36(10) . . ?
N6 Co2 Cl2 99.02(10) . . ?
N9 Co2 Cl2 97.86(10) . . ?
N12 Co2 Pt1 81.39(9) . . ?
N3 Co2 Pt1 81.33(9) . . ?
N6 Co2 Pt1 81.31(10) . . ?
N9 Co2 Pt1 82.47(10) . . ?
Cl2 Co2 Pt1 179.54(4) . . ?
C21 N1 C25 120.0(4) . . ?
C21 N1 Co1 116.1(3) . . ?
C25 N1 Co1 123.9(3) . . ?
C25 N2 C26 123.0(3) . . ?
C25 N2 Pt1 117.8(3) . . ?
C26 N2 Pt1 119.1(3) . . ?
C30 N3 C26 118.9(4) . . ?
C30 N3 Co2 117.2(3) . . ?
C26 N3 Co2 123.8(3) . . ?
C11 N4 C15 118.2(4) . . ?
C11 N4 Co1 118.5(3) . . ?
C15 N4 Co1 123.3(3) . . ?
C16 N5 C15 123.4(4) . . ?
C16 N5 Pt1 117.9(3) . . ?
C15 N5 Pt1 118.8(3) . . ?
C20 N6 C16 118.5(4) . . ?
C20 N6 Co2 117.5(3) . . ?
C16 N6 Co2 123.7(3) . . ?
C1 N7 C5 118.1(4) . . ?
C1 N7 Co1 117.6(3) . . ?
C5 N7 Co1 123.5(3) . . ?
C6 N8 C5 122.5(4) . . ?
C6 N8 Pt1 120.0(3) . . ?
C5 N8 Pt1 116.8(3) . . ?
C6 N9 C10 118.3(4) . . ?
C6 N9 Co2 122.7(3) . . ?
C10 N9 Co2 118.9(3) . . ?
C35 N10 C31 118.0(4) . . ?
C35 N10 Co1 124.4(3) . . ?
C31 N10 Co1 117.2(3) . . ?
C35 N11 C36 123.2(4) . . ?
C35 N11 Pt1 119.9(3) . . ?
C36 N11 Pt1 116.7(3) . . ?
C36 N12 C40 118.4(4) . . ?
C36 N12 Co2 124.2(3) . . ?
C40 N12 Co2 117.1(3) . . ?
N7 C1 C2 123.7(5) . . ?
C1 C2 C3 118.6(5) . . ?
C2 C3 C4 119.6(5) . . ?
C3 C4 C5 119.0(5) . . ?
N7 C5 N8 116.6(4) . . ?
N7 C5 C4 121.0(4) . . ?
N8 C5 C4 122.2(5) . . ?
N9 C6 N8 117.8(4) . . ?
N9 C6 C7 119.7(4) . . ?
N8 C6 C7 122.4(4) . . ?
C8 C7 C6 120.2(4) . . ?
C7 C8 C9 119.4(4) . . ?
C10 C9 C8 117.8(5) . . ?
N9 C10 C9 124.3(4) . . ?
N4 C11 C12 124.0(5) . . ?
C11 C12 C13 118.1(5) . . ?
C14 C13 C12 119.2(5) . . ?
C13 C14 C15 120.1(5) . . ?
N4 C15 N5 115.8(4) . . ?
N4 C15 C14 120.3(4) . . ?
N5 C15 C14 123.7(4) . . ?
N6 C16 N5 116.5(4) . . ?
N6 C16 C17 120.3(4) . . ?
N5 C16 C17 123.0(4) . . ?
C18 C17 C16 119.2(4) . . ?
C17 C18 C19 120.0(4) . . ?
C20 C19 C18 117.7(5) . . ?
N6 C20 C19 124.2(5) . . ?
N1 C21 C22 123.8(5) . . ?
C21 C22 C23 117.3(5) . . ?
C22 C23 C24 120.2(5) . . ?
C23 C24 C25 119.9(5) . . ?
N1 C25 N2 116.2(4) . . ?
N1 C25 C24 118.6(4) . . ?
N2 C25 C24 124.9(4) . . ?
N3 C26 N2 116.6(4) . . ?
N3 C26 C27 119.5(4) . . ?
N2 C26 C27 123.7(4) . . ?
C28 C27 C26 119.7(5) . . ?
C29 C28 C27 119.7(4) . . ?
C30 C29 C28 118.3(5) . . ?
N3 C30 C29 123.8(5) . . ?
C32 C31 N10 124.6(4) . . ?
C31 C32 C33 117.9(4) . . ?
C32 C33 C34 118.9(5) . . ?
C33 C34 C35 120.2(4) . . ?
N10 C35 N11 116.0(4) . . ?
N10 C35 C34 120.3(4) . . ?
N11 C35 C34 123.6(4) . . ?
N12 C36 N11 116.8(4) . . ?
N12 C36 C37 120.5(4) . . ?
N11 C36 C37 122.4(4) . . ?
C38 C37 C36 119.1(5) . . ?
C37 C38 C39 119.9(5) . . ?
C40 C39 C38 118.3(4) . . ?
N12 C40 C39 123.7(5) . . ?
C43 O1 C42 111.7(4) . . ?
O1 C42 C41 108.6(5) . . ?
O1 C43 C44 107.7(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 2.018(3) . ?
Pt1 N8 2.020(3) . ?
Pt1 N5 2.025(4) . ?
Pt1 N11 2.026(3) . ?
Pt1 Co1 2.5095(6) . ?
Pt1 Co2 2.5157(6) . ?
Co1 N1 2.155(4) . ?
Co1 N10 2.157(4) . ?
Co1 N7 2.158(4) . ?
Co1 N4 2.160(4) . ?
Co1 Cl1 2.3258(13) . ?
Co2 N12 2.167(4) . ?
Co2 N3 2.170(4) . ?
Co2 N6 2.174(4) . ?
Co2 N9 2.179(3) . ?
Co2 Cl2 2.3463(12) . ?
N1 C21 1.350(6) . ?
N1 C25 1.350(6) . ?
N2 C25 1.371(6) . ?
N2 C26 1.376(5) . ?
N3 C30 1.352(6) . ?
N3 C26 1.355(6) . ?
N4 C11 1.352(6) . ?
N4 C15 1.360(6) . ?
N5 C16 1.368(6) . ?
N5 C15 1.383(5) . ?
N6 C20 1.328(6) . ?
N6 C16 1.363(6) . ?
N7 C1 1.350(6) . ?
N7 C5 1.357(6) . ?
N8 C6 1.377(5) . ?
N8 C5 1.380(5) . ?
N9 C6 1.344(5) . ?
N9 C10 1.348(6) . ?
N10 C35 1.345(5) . ?
N10 C31 1.361(6) . ?
N11 C35 1.372(5) . ?
N11 C36 1.394(5) . ?
N12 C36 1.352(6) . ?
N12 C40 1.353(5) . ?
C1 C2 1.375(7) . ?
C2 C3 1.380(7) . ?
C3 C4 1.384(6) . ?
C4 C5 1.417(6) . ?
C6 C7 1.424(6) . ?
C7 C8 1.368(7) . ?
C8 C9 1.379(7) . ?
C9 C10 1.372(6) . ?
C11 C12 1.368(7) . ?
C12 C13 1.391(7) . ?
C13 C14 1.378(7) . ?
C14 C15 1.403(6) . ?
C16 C17 1.410(6) . ?
C17 C18 1.368(6) . ?
C18 C19 1.386(7) . ?
C19 C20 1.373(6) . ?
C21 C22 1.367(7) . ?
C22 C23 1.381(7) . ?
C23 C24 1.383(7) . ?
C24 C25 1.416(6) . ?
C26 C27 1.415(6) . ?
C27 C28 1.384(7) . ?
C28 C29 1.374(7) . ?
C29 C30 1.365(6) . ?
C31 C32 1.357(7) . ?
C32 C33 1.386(7) . ?
C33 C34 1.389(6) . ?
C34 C35 1.403(6) . ?
C36 C37 1.419(6) . ?
C37 C38 1.375(6) . ?
C38 C39 1.382(7) . ?
C39 C40 1.368(6) . ?
O1 C43 1.406(6) . ?
O1 C42 1.427(6) . ?
C41 C42 1.497(7) . ?
C43 C44 1.535(7) . ?
