#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:02:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180220 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/06/7110680.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7110680
loop_
_publ_author_name
'Charmant, J. P. H.'
'Gómez, J.'
'Orpen, A. G.'
'Falvello, L. R.'
'Forniés, J.'
'Rueda, A.'
'Gómez, J.'
'Lalinde, E.'
'Moreno, M. T.'
_publ_section_title
;
 Synthesis, structural characterisation and luminescence studies of the
 first alkynyl stabilised platinum--cadmium complexes
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              2045
_journal_paper_doi               10.1039/a906394c
_journal_year                    1999
_chemical_formula_sum            'C64 H93.17 Cd2 Cl4 N2 O0.58 Pt'
_chemical_formula_weight         1461.60
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 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                 106.540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   40.625(6)
_cell_length_b                   20.3820(10)
_cell_length_c                   25.482(4)
_cell_measurement_temperature    150(2)
_cell_volume                     20226(5)
_computing_cell_refinement       'CAD4-PC V2.0 (Nonius, 1996)'
_computing_data_collection       'CAD4-PC V2.0 (Nonius, 1996)'
_computing_data_reduction        'XCAD4B (Harms, 1996)'
_computing_molecular_graphics    'SHELXTL Rel. 5.05 (Siemens, 1996)'
_computing_publication_material  'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.483
_diffrn_measured_fraction_theta_max 0.483
_diffrn_measurement_device_type  'Nonius CAD-4'
_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  0.0951
_diffrn_reflns_av_sigmaI/netI    0.1627
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            18085
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.891
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8854
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.325
_refine_diff_density_min         -1.922
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1024
_refine_ls_number_reflns         17819
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.1748
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0833P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1673
_refine_ls_wR_factor_ref         0.1881
_reflns_number_gt                10355
_reflns_number_total             17819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            906394csup1.cif
_cod_data_source_block           xlrf
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0833P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0833P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        20226(4)
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7110680
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.086596(13) 0.91912(2) 0.194639(19) 0.02836(13) Uani 1 d . . .
Cd2 Cd 0.03649(2) 1.01308(4) 0.24524(4) 0.0353(2) Uani 1 d . . .
Cd1 Cd 0.12397(2) 0.80605(4) 0.14534(4) 0.0322(2) Uani 1 d . . .
Cl1 Cl 0.17811(9) 0.77409(19) 0.13358(15) 0.0519(9) Uani 1 d . . .
Cl2 Cl 0.07838(9) 0.73053(16) 0.10073(14) 0.0461(8) Uani 1 d . . .
Cl3 Cl -0.02105(9) 0.99859(18) 0.25132(15) 0.0490(9) Uani 1 d . . .
Cl4 Cl 0.06486(12) 1.1097(2) 0.2907(3) 0.104(2) Uani 1 d . . .
C1 C 0.1012(3) 0.9181(5) 0.1265(5) 0.033(3) Uani 1 d . . .
C2 C 0.1113(3) 0.9107(6) 0.0863(5) 0.033(3) Uani 1 d . . .
C3 C 0.1210(3) 0.9085(6) 0.0360(5) 0.034(3) Uani 1 d . . .
C4 C 0.1320(5) 0.9635(7) 0.0147(6) 0.072(5) Uani 1 d . . .
H4A H 0.1339 1.0036 0.0343 0.086 Uiso 1 calc R . .
C5 C 0.1400(5) 0.9628(7) -0.0330(7) 0.080(6) Uani 1 d . . .
H5A H 0.1460 1.0023 -0.0479 0.096 Uiso 1 calc R . .
C6 C 0.1396(5) 0.9041(8) -0.0601(6) 0.073(6) Uani 1 d . . .
H6A H 0.1466 0.9020 -0.0925 0.088 Uiso 1 calc R . .
C7 C 0.1290(5) 0.8500(7) -0.0399(7) 0.081(6) Uani 1 d . . .
H7A H 0.1280 0.8098 -0.0591 0.097 Uiso 1 calc R . .
C8 C 0.1197(5) 0.8508(7) 0.0068(6) 0.065(5) Uani 1 d . . .
H8A H 0.1122 0.8115 0.0198 0.078 Uiso 1 calc R . .
C9 C 0.1234(3) 0.8544(6) 0.2311(5) 0.031(3) Uani 1 d . . .
C10 C 0.1454(3) 0.8159(6) 0.2543(5) 0.031(3) Uani 1 d . . .
C11 C 0.1723(3) 0.7792(6) 0.2891(5) 0.036(3) Uani 1 d . . .
C12 C 0.1667(4) 0.7435(7) 0.3326(5) 0.047(4) Uani 1 d . . .
H12A H 0.1443 0.7413 0.3370 0.057 Uiso 1 calc R . .
C13 C 0.1937(5) 0.7114(8) 0.3693(7) 0.072(5) Uani 1 d . . .
H13A H 0.1901 0.6914 0.4009 0.086 Uiso 1 calc R . .
C14 C 0.2256(4) 0.7077(7) 0.3608(6) 0.061(5) Uani 1 d . . .
H14A H 0.2436 0.6831 0.3848 0.073 Uiso 1 calc R . .
C15 C 0.2307(4) 0.7400(8) 0.3177(6) 0.062(5) Uani 1 d . . .
H15A H 0.2527 0.7387 0.3118 0.074 Uiso 1 calc R . .
C16 C 0.2046(3) 0.7752(7) 0.2816(5) 0.042(3) Uani 1 d . . .
H16A H 0.2090 0.7968 0.2513 0.051 Uiso 1 calc R . .
C17 C 0.0507(3) 0.9864(6) 0.1617(5) 0.038(3) Uani 1 d . . .
C18 C 0.0303(4) 1.0291(6) 0.1418(6) 0.044(4) Uani 1 d . . .
C19 C 0.0085(4) 1.0782(7) 0.1086(6) 0.052(4) Uani 1 d . . .
C20 C 0.0046(4) 1.0796(8) 0.0526(6) 0.063(5) Uani 1 d . . .
H20A H 0.0161 1.0481 0.0367 0.075 Uiso 1 calc R . .
C21 C -0.0158(5) 1.1261(9) 0.0204(7) 0.075(5) Uani 1 d . . .
H21A H -0.0190 1.1253 -0.0179 0.090 Uiso 1 calc R . .
C22 C -0.0315(5) 1.1730(10) 0.0417(9) 0.092(7) Uani 1 d . . .
H22A H -0.0455 1.2053 0.0190 0.110 Uiso 1 calc R . .
C23 C -0.0266(6) 1.1725(10) 0.0968(9) 0.119(10) Uani 1 d . . .
H23A H -0.0373 1.2056 0.1125 0.143 Uiso 1 calc R . .
C24 C -0.0069(5) 1.1263(8) 0.1309(8) 0.086(7) Uani 1 d . . .
H24A H -0.0041 1.1277 0.1692 0.103 Uiso 1 calc R . .
C25 C 0.0734(3) 0.9170(5) 0.2643(5) 0.040(3) Uani 1 d . . .
C26 C 0.0662(3) 0.9132(6) 0.3080(5) 0.033(3) Uani 1 d . . .
C27 C 0.0618(3) 0.8953(6) 0.3593(5) 0.037(3) Uani 1 d . . .
C28 C 0.0386(3) 0.9245(7) 0.3825(5) 0.043(3) Uani 1 d . . .
H28A H 0.0248 0.9593 0.3631 0.052 Uiso 1 calc R . .
C29 C 0.0344(4) 0.9060(7) 0.4315(5) 0.047(4) Uani 1 d . . .
H29A H 0.0185 0.9282 0.4462 0.057 Uiso 1 calc R . .
C30 C 0.0538(3) 0.8540(7) 0.4597(5) 0.043(3) Uani 1 d . . .
H30A H 0.0502 0.8382 0.4927 0.051 Uiso 1 calc R . .
C31 C 0.0780(4) 0.8260(6) 0.4390(5) 0.045(4) Uani 1 d . . .
H31A H 0.0923 0.7926 0.4595 0.054 Uiso 1 calc R . .
C32 C 0.0822(3) 0.8449(6) 0.3893(5) 0.043(3) Uani 1 d . . .
H32A H 0.0989 0.8239 0.3756 0.051 Uiso 1 calc R . .
Pt2 Pt 0.2500 1.2500 0.2500 0.03550(19) Uani 1 d S . .
Cd3 Cd 0.19519(3) 1.33479(4) 0.16042(4) 0.0381(2) Uani 1 d . . .
Cl5 Cl 0.22704(10) 1.42098(17) 0.13277(16) 0.0550(9) Uani 1 d . . .
Cl6 Cl 0.13380(9) 1.33608(17) 0.11873(15) 0.0498(9) Uani 1 d . . .
C33 C 0.2144(3) 1.3151(6) 0.2589(5) 0.037(3) Uani 1 d . . .
C34 C 0.1943(3) 1.3555(6) 0.2642(5) 0.039(3) Uani 1 d . . .
C35 C 0.1717(3) 1.3999(5) 0.2810(5) 0.033(3) Uani 1 d . . .
C36 C 0.1854(4) 1.4380(6) 0.3284(6) 0.053(4) Uani 1 d . . .
H36A H 0.2090 1.4338 0.3476 0.063 Uiso 1 calc R . .
C37 C 0.1654(5) 1.4811(8) 0.3478(7) 0.062(4) Uani 1 d . . .
H37A H 0.1748 1.5067 0.3797 0.075 Uiso 1 calc R . .
C38 C 0.1310(5) 1.4852(7) 0.3186(6) 0.058(5) Uani 1 d . . .
H38A H 0.1164 1.5133 0.3315 0.069 Uiso 1 calc R . .
C39 C 0.1172(5) 1.4495(8) 0.2710(7) 0.065(5) Uani 1 d . . .
H39A H 0.0936 1.4535 0.2519 0.078 Uiso 1 calc R . .
C40 C 0.1381(4) 1.4078(6) 0.2512(7) 0.051(4) Uani 1 d . . .
H40A H 0.1292 1.3852 0.2175 0.061 Uiso 1 calc R . .
C41 C 0.2257(4) 1.2293(6) 0.1739(7) 0.049(4) Uani 1 d . . .
C42 C 0.2094(4) 1.2179(6) 0.1247(6) 0.043(4) Uani 1 d . . .
C43 C 0.1936(4) 1.1943(7) 0.0705(6) 0.050(4) Uani 1 d . . .
C44 C 0.2123(5) 1.1496(8) 0.0482(6) 0.073(5) Uani 1 d . . .
H44A H 0.2346 1.1368 0.0693 0.088 Uiso 1 calc R . .
C45 C 0.1991(6) 1.1240(10) -0.0033(7) 0.084(6) Uani 1 d . . .
H45A H 0.2123 1.0943 -0.0177 0.100 Uiso 1 calc R . .
C46 C 0.1661(6) 1.1418(9) -0.0345(7) 0.085(6) Uani 1 d . . .
H46A H 0.1560 1.1227 -0.0694 0.101 Uiso 1 calc R . .
C47 C 0.1488(5) 1.1878(9) -0.0133(7) 0.077(6) Uani 1 d . . .
H47A H 0.1272 1.2036 -0.0352 0.093 Uiso 1 calc R . .
C48 C 0.1618(5) 1.2110(8) 0.0382(6) 0.063(5) Uani 1 d . . .
H48A H 0.1482 1.2401 0.0524 0.076 Uiso 1 calc R . .
N1 N 0.3341(3) 1.4127(6) 0.2458(5) 0.050(3) Uani 1 d . . .
C49 C 0.3050(4) 1.4265(7) 0.2707(5) 0.047(4) Uani 1 d . . .
H49A H 0.2840 1.4353 0.2404 0.056 Uiso 1 calc R . .
H49B H 0.3007 1.3860 0.2893 0.056 Uiso 1 calc R . .
C50 C 0.3095(4) 1.4819(8) 0.3108(6) 0.060(4) Uani 1 d . . .
H50A H 0.3305 1.4747 0.3415 0.072 Uiso 1 calc R . .
H50B H 0.3122 1.5237 0.2927 0.072 Uiso 1 calc R . .
C51 C 0.2789(4) 1.4853(8) 0.3319(7) 0.070(5) Uani 1 d . . .
H51A H 0.2583 1.4931 0.3006 0.084 Uiso 1 calc R . .
H51B H 0.2759 1.4422 0.3479 0.084 Uiso 1 calc R . .
C52 C 0.2805(6) 1.5362(12) 0.3733(9) 0.120(9) Uani 1 d . . .
H52A H 0.2587 1.5370 0.3829 0.145 Uiso 1 calc R . .
H52B H 0.2843 1.5790 0.3586 0.145 Uiso 1 calc R . .
H52C H 0.2993 1.5265 0.4061 0.145 Uiso 1 calc R . .
C53 C 0.3222(5) 1.3535(7) 0.2074(7) 0.067(5) Uani 1 d . . .
H53A H 0.3173 1.3165 0.2292 0.080 Uiso 1 calc R . .
H53B H 0.3004 1.3652 0.1798 0.080 Uiso 1 calc R . .
C54 C 0.3473(4) 1.3305(10) 0.1780(9) 0.095(7) Uani 1 d D . .
H54A H 0.3482 1.3631 0.1496 0.114 Uiso 1 calc R . .
H54B H 0.3704 1.3277 0.2043 0.114 Uiso 1 calc R . .
C55 C 0.3378(6) 1.2648(10) 0.1513(11) 0.140(12) Uani 1 d D . .
C56 C 0.3722(10) 1.2279(18) 0.156(3) 0.17(3) Uani 0.50 d PD A 1
C56A C 0.3024(9) 1.272(2) 0.1074(15) 0.105(14) Uani 0.50 d PDU A 2
C57 C 0.3678(3) 1.3996(8) 0.2889(7) 0.065(5) Uani 1 d . . .
H57A H 0.3736 1.4380 0.3137 0.079 Uiso 1 calc R . .
H57B H 0.3862 1.3946 0.2707 0.079 Uiso 1 calc R . .
C58 C 0.3669(4) 1.3378(8) 0.3231(6) 0.065(5) Uani 1 d . . .
H58A H 0.3645 1.2982 0.2999 0.078 Uiso 1 calc R . .
H58B H 0.3471 1.3398 0.3385 0.078 Uiso 1 calc R . .
C59 C 0.4008(4) 1.3351(8) 0.3697(7) 0.065(5) Uani 1 d . . .
H59A H 0.4034 1.2908 0.3863 0.078 Uiso 1 calc R . .
H59B H 0.4202 1.3423 0.3541 0.078 Uiso 1 calc R . .
C60 C 0.4027(5) 1.3836(9) 0.4125(8) 0.083(6) Uani 1 d . . .
H60A H 0.4232 1.3755 0.4431 0.100 Uiso 1 calc R . .
H60B H 0.3822 1.3801 0.4253 0.100 Uiso 1 calc R . .
H60C H 0.4039 1.4276 0.3978 0.100 Uiso 1 calc R . .
C61 C 0.3409(4) 1.4720(6) 0.2145(6) 0.052(4) Uani 1 d D . .
H61A H 0.3500 1.5076 0.2411 0.063 Uiso 1 calc R . .
H61B H 0.3590 1.4603 0.1972 0.063 Uiso 1 calc R . .
C62 C 0.3103(4) 1.4985(7) 0.1706(6) 0.064(5) Uani 1 d D . .
H62A H 0.2924 1.5127 0.1876 0.077 Uiso 1 calc R . .
H62B H 0.3005 1.4631 0.1441 0.077 Uiso 1 calc R . .
C63 C 0.3203(5) 1.5562(8) 0.1403(7) 0.091(7) Uani 1 d D . .
H63A H 0.3332 1.5884 0.1676 0.109 Uiso 1 calc R . .
H63B H 0.3359 1.5402 0.1195 0.109 Uiso 1 calc R . .
C64 C 0.2917(6) 1.5887(9) 0.1033(7) 0.114(9) Uani 1 d D . .
H64A H 0.3001 1.6222 0.0827 0.137 Uiso 1 calc R . .
H64B H 0.2776 1.6095 0.1241 0.137 Uiso 1 calc R . .
H64C H 0.2778 1.5566 0.0778 0.137 Uiso 1 calc R . .
N2 N 0.1369(3) 0.5495(6) 0.0844(5) 0.052(3) Uani 1 d . . .
C65 C 0.1001(4) 0.5583(7) 0.0869(6) 0.055(4) Uani 1 d D . .
H65A H 0.0993 0.5976 0.1093 0.066 Uiso 1 calc R . .
H65B H 0.0853 0.5672 0.0494 0.066 Uiso 1 calc R . .
C66 C 0.0851(4) 0.5009(7) 0.1100(7) 0.069(5) Uani 1 d D . .
C67 C 0.0460(4) 0.4982(11) 0.0887(15) 0.069(11) Uani 0.50 d PD B 1
C68 C 0.0282(5) 0.5566(10) 0.0943(13) 0.147(13) Uani 1 d D . .
C67A C 0.0571(7) 0.528(2) 0.1328(11) 0.085(12) Uani 0.50 d PD B 2
C69 C 0.1605(4) 0.5403(7) 0.1417(6) 0.058(4) Uani 1 d D . .
H69A H 0.1546 0.4983 0.1563 0.070 Uiso 1 calc R . .
H69B H 0.1844 0.5365 0.1395 0.070 Uiso 1 calc R . .
C70 C 0.1595(4) 0.5935(8) 0.1818(6) 0.072(5) Uani 1 d D . .
H70A H 0.1376 0.5911 0.1915 0.086 Uiso 1 calc R . .
H70B H 0.1608 0.6368 0.1650 0.086 Uiso 1 calc R . .
C71 C 0.1904(5) 0.5855(9) 0.2347(6) 0.088(6) Uani 1 d D . .
H71A H 0.1868 0.6145 0.2637 0.106 Uiso 1 calc R . .
H71B H 0.1911 0.5397 0.2479 0.106 Uiso 1 calc R . .
C72 C 0.2224(6) 0.6010(14) 0.2254(11) 0.161(9) Uani 1 d D . .
H72A H 0.2406 0.5991 0.2601 0.193 Uiso 1 calc R . .
H72B H 0.2213 0.6453 0.2101 0.193 Uiso 1 calc R . .
H72C H 0.2273 0.5694 0.1997 0.193 Uiso 1 calc R . .
C73 C 0.1412(4) 0.4911(7) 0.0515(6) 0.063(5) Uani 1 d D . .
H73A H 0.1658 0.4866 0.0538 0.075 Uiso 1 calc R . .
H73B H 0.1344 0.4514 0.0683 0.075 Uiso 1 calc R . .
C74 C 0.1210(5) 0.4930(8) -0.0075(6) 0.083(6) Uani 1 d D . .
H74A H 0.1296 0.5286 -0.0266 0.099 Uiso 1 calc R . .
H74B H 0.0965 0.5013 -0.0110 0.099 Uiso 1 calc R . .
C75 C 0.1255(7) 0.4246(11) -0.0334(8) 0.161(13) Uani 1 d D . .
H75A H 0.1496 0.4191 -0.0339 0.193 Uiso 1 calc R . .
H75B H 0.1200 0.3889 -0.0109 0.193 Uiso 1 calc R . .
C76 C 0.1034(7) 0.4209(12) -0.0873(10) 0.161(9) Uani 1 d D . .
H76A H 0.1089 0.3817 -0.1054 0.193 Uiso 1 calc R . .
H76B H 0.1065 0.4600 -0.1078 0.193 Uiso 1 calc R . .
H76C H 0.0795 0.4185 -0.0862 0.193 Uiso 1 calc R . .
C77 C 0.1472(5) 0.6105(7) 0.0601(7) 0.064(5) Uani 1 d . . .
H77A H 0.1301 0.6173 0.0241 0.077 Uiso 1 calc R . .
H77B H 0.1446 0.6476 0.0837 0.077 Uiso 1 calc R . .
C78 C 0.1809(5) 0.6168(12) 0.0515(8) 0.105(8) Uani 1 d . . .
H78A H 0.1858 0.5777 0.0320 0.126 Uiso 1 calc R . .
H78B H 0.1987 0.6200 0.0872 0.126 Uiso 1 calc R . .
C79 C 0.1815(6) 0.6829(10) 0.0153(9) 0.091(7) Uani 1 d . . .
H79A H 0.1682 0.6752 -0.0233 0.110 Uiso 1 calc R . .
H79B H 0.1708 0.7198 0.0296 0.110 Uiso 1 calc R . .
C80 C 0.2142(7) 0.6977(16) 0.0182(11) 0.173(14) Uani 1 d . . .
H80A H 0.2146 0.7269 -0.0122 0.208 Uiso 1 calc R . .
H80B H 0.2268 0.6574 0.0158 0.208 Uiso 1 calc R . .
H80C H 0.2249 0.7198 0.0530 0.208 Uiso 1 calc R . .
N3 N 0.0145(3) 1.2833(6) 0.3239(5) 0.056(3) Uani 1 d . . .
C81 C 0.0302(4) 1.2361(8) 0.3701(8) 0.080(6) Uani 1 d D . .
H81A H 0.0250 1.1908 0.3563 0.097 Uiso 1 calc R . .
H81B H 0.0554 1.2416 0.3808 0.097 Uiso 1 calc R . .
C82 C 0.0181(5) 1.2442(9) 0.4198(7) 0.090(6) Uani 1 d D . .
H82A H -0.0064 1.2327 0.4121 0.108 Uiso 1 calc R . .
H82B H 0.0217 1.2897 0.4339 0.108 Uiso 1 calc R . .
C83 C 0.0420(8) 1.1934(13) 0.4623(9) 0.140(12) Uani 1 d D . .
H83A H 0.0367 1.1480 0.4486 0.168 Uiso 1 calc R . .
H83B H 0.0665 1.2023 0.4657 0.168 Uiso 1 calc R . .
C84 C 0.0369(8) 1.1988(18) 0.5060(11) 0.198(18) Uani 1 d D . .
H84A H 0.0589 1.1992 0.5346 0.237 Uiso 1 calc R . .
H84B H 0.0231 1.1617 0.5120 0.237 Uiso 1 calc R . .
H84C H 0.0246 1.2398 0.5072 0.237 Uiso 1 calc R . .
C85 C 0.0333(5) 1.2724(8) 0.2814(8) 0.094(7) Uani 1 d D . .
H85A H 0.0576 1.2850 0.2979 0.113 Uiso 1 calc R . .
H85B H 0.0330 1.2248 0.2736 0.113 Uiso 1 calc R . .
C86 C 0.0207(6) 1.3075(8) 0.2278(8) 0.123(10) Uani 1 d D . .
H86A H 0.0193 1.3555 0.2329 0.148 Uiso 1 calc R . .
H86B H -0.0019 1.2909 0.2061 0.148 Uiso 1 calc R . .
C87 C 0.0506(8) 1.2890(15) 0.1997(11) 0.163(13) Uani 1 d DU . .
H87A H 0.0732 1.2905 0.2275 0.196 Uiso 1 calc R . .
H87B H 0.0469 1.2440 0.1847 0.196 Uiso 1 calc R . .
C88 C 0.0502(8) 1.3266(14) 0.1640(11) 0.162(12) Uani 1 d DU . .
H88A H 0.0676 1.3139 0.1461 0.195 Uiso 1 calc R . .
H88B H 0.0552 1.3708 0.1793 0.195 Uiso 1 calc R . .
H88C H 0.0275 1.3262 0.1372 0.195 Uiso 1 calc R . .
C89 C -0.0234(4) 1.2690(7) 0.3007(6) 0.056(4) Uani 1 d . . .
H89A H -0.0345 1.2761 0.3303 0.067 Uiso 1 calc R . .
H89B H -0.0332 1.3018 0.2718 0.067 Uiso 1 calc R . .
C90 C -0.0337(5) 1.2023(8) 0.2769(8) 0.081(6) Uani 1 d . . .
H90A H -0.0276 1.1688 0.3063 0.097 Uiso 1 calc R . .
H90B H -0.0212 1.1919 0.2498 0.097 Uiso 1 calc R . .
C91 C -0.0720(5) 1.2008(9) 0.2496(8) 0.084(6) Uani 1 d . . .
H91A H -0.0840 1.2097 0.2776 0.101 Uiso 1 calc R . .
H91B H -0.0778 1.2368 0.2224 0.101 Uiso 1 calc R . .
C92 C -0.0854(6) 1.1382(10) 0.2215(10) 0.129(10) Uani 1 d . . .
H92A H -0.1103 1.1358 0.2158 0.155 Uiso 1 calc R . .
H92B H -0.0742 1.1011 0.2441 0.155 Uiso 1 calc R . .
H92C H -0.0805 1.1364 0.1860 0.155 Uiso 1 calc R . .
C93 C 0.0187(4) 1.3552(7) 0.3432(7) 0.065(5) Uani 1 d . . .
H93A H 0.0070 1.3837 0.3120 0.078 Uiso 1 calc R . .
H93B H 0.0068 1.3610 0.3719 0.078 Uiso 1 calc R . .
C94 C 0.0550(5) 1.3781(9) 0.3656(8) 0.082(6) Uani 1 d . . .
H94A H 0.0659 1.3789 0.3354 0.098 Uiso 1 calc R . .
H94B H 0.0677 1.3459 0.3930 0.098 Uiso 1 calc R . .
C95 C 0.0587(6) 1.4472(10) 0.3927(8) 0.091(6) Uani 1 d . . .
H95A H 0.0822 1.4640 0.3975 0.110 Uiso 1 calc R . .
H95B H 0.0423 1.4780 0.3687 0.110 Uiso 1 calc R . .
C96 C 0.0520(7) 1.4433(12) 0.4444(9) 0.136(11) Uani 1 d . . .
H96A H 0.0561 1.4862 0.4625 0.164 Uiso 1 calc R . .
H96B H 0.0672 1.4105 0.4673 0.164 Uiso 1 calc R . .
H96C H 0.0280 1.4305 0.4392 0.164 Uiso 1 calc R . .
O1 O 0.2500 1.438(3) 0.0000 0.059(16) Uiso 0.25 d SP . .
O1A O 0.2711(13) 1.412(2) 0.015(2) 0.083(15) Uiso 0.25 d P . .
O2 O 0.2690(15) 1.582(3) 0.505(3) 0.13(2) Uiso 0.25 d P . .
O2A O 0.2234(18) 1.539(4) 0.459(3) 0.13(2) Uiso 0.25 d P . .
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'
Cd Cd -0.8075 1.2024 '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'
Cl Cl 0.1484 0.1585 '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'
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_3
_geom_angle_publ_flag
C1 Pt1 C25 177.5(5) . y
C1 Pt1 C17 90.2(5) . y
C25 Pt1 C17 92.3(5) . y
C1 Pt1 C9 91.6(4) . y
C25 Pt1 C9 85.9(4) . y
C17 Pt1 C9 177.2(5) . y
C1 Pt1 Cd1 50.1(3) . ?
C25 Pt1 Cd1 127.6(3) . ?
C17 Pt1 Cd1 134.1(3) . ?
C9 Pt1 Cd1 48.5(3) . ?
C1 Pt1 Cd2 135.7(3) . ?
C25 Pt1 Cd2 46.8(3) . ?
C17 Pt1 Cd2 46.6(3) . ?
C9 Pt1 Cd2 131.1(3) . ?
Cd1 Pt1 Cd2 168.60(3) . ?
Cl3 Cd2 Cl4 114.26(14) . y
Cl3 Cd2 C17 120.6(3) . y
Cl4 Cd2 C17 113.9(3) . y
Cl3 Cd2 C25 116.3(4) . y
Cl4 Cd2 C25 112.3(3) . y
C17 Cd2 C25 72.9(5) . y
Cl3 Cd2 C18 105.5(3) . y
Cl4 Cd2 C18 106.3(4) . y
C17 Cd2 C18 27.6(4) . y
C25 Cd2 C18 100.4(4) . y
Cl3 Cd2 C26 98.6(3) . y
Cl4 Cd2 C26 105.4(3) . y
C17 Cd2 C26 100.1(4) . y
C25 Cd2 C26 27.5(4) . y
C18 Cd2 C26 127.1(4) . y
Cl3 Cd2 Pt1 132.12(9) . ?
Cl4 Cd2 Pt1 113.41(11) . ?
C17 Cd2 Pt1 36.9(3) . ?
C25 Cd2 Pt1 36.8(3) . ?
C18 Cd2 Pt1 64.5(3) . ?
C26 Cd2 Pt1 64.3(2) . ?
Cl1 Cd1 C9 118.2(3) . y
Cl1 Cd1 Cl2 112.00(13) . y
C9 Cd1 Cl2 118.9(3) . y
Cl1 Cd1 C1 122.4(3) . y
C9 Cd1 C1 72.3(4) . y
Cl2 Cd1 C1 107.6(3) . y
Cl1 Cd1 C2 100.9(3) . y
C9 Cd1 C2 98.0(4) . y
Cl2 Cd1 C2 104.6(3) . y
C1 Cd1 C2 27.8(4) . y
Cl1 Cd1 C10 96.4(3) . y
C9 Cd1 C10 26.9(4) . y
Cl2 Cd1 C10 121.0(3) . y
C1 Cd1 C10 97.3(4) . y
C2 Cd1 C10 119.8(4) . y
Cl1 Cd1 Pt1 143.06(10) . ?
C9 Cd1 Pt1 38.8(3) . ?
Cl2 Cd1 Pt1 104.83(9) . ?
C1 Cd1 Pt1 38.3(3) . ?
C2 Cd1 Pt1 66.2(3) . ?
C10 Cd1 Pt1 65.8(3) . ?
C2 C1 Pt1 173.1(10) . ?
C2 C1 Cd1 81.4(8) . ?
Pt1 C1 Cd1 91.6(4) . ?
C1 C2 C3 173.4(13) . ?
C1 C2 Cd1 70.7(7) . ?
C3 C2 Cd1 115.6(8) . ?
C4 C3 C8 116.8(12) . ?
C4 C3 C2 121.7(12) . ?
C8 C3 C2 121.6(11) . ?
C5 C4 C3 122.4(14) . ?
C5 C4 H4A 118.8 . ?
C3 C4 H4A 118.8 . ?
C4 C5 C6 119.3(14) . ?
C4 C5 H5A 120.3 . ?
C6 C5 H5A 120.3 . ?
C7 C6 C5 118.8(13) . ?
C7 C6 H6A 120.6 . ?
C5 C6 H6A 120.6 . ?
C6 C7 C8 122.1(15) . ?
C6 C7 H7A 118.9 . ?
C8 C7 H7A 118.9 . ?
C7 C8 C3 120.4(13) . ?
C7 C8 H8A 119.8 . ?
C3 C8 H8A 119.8 . ?
C10 C9 Pt1 178.3(10) . ?
C10 C9 Cd1 88.9(8) . ?
Pt1 C9 Cd1 92.7(4) . ?
C9 C10 C11 169.7(12) . ?
C9 C10 Cd1 64.1(7) . ?
C11 C10 Cd1 125.4(8) . ?
C16 C11 C12 117.0(12) . ?
C16 C11 C10 122.6(12) . ?
C12 C11 C10 120.4(12) . ?
C13 C12 C11 120.5(14) . ?
C13 C12 H12A 119.8 . ?
C11 C12 H12A 119.8 . ?
C14 C13 C12 121.2(15) . ?
C14 C13 H13A 119.4 . ?
C12 C13 H13A 119.4 . ?
C15 C14 C13 118.1(14) . ?
C15 C14 H14A 120.9 . ?
C13 C14 H14A 120.9 . ?
C14 C15 C16 121.8(15) . ?
C14 C15 H15A 119.1 . ?
C16 C15 H15A 119.1 . ?
C11 C16 C15 121.0(13) . ?
C11 C16 H16A 119.5 . ?
C15 C16 H16A 119.5 . ?
C18 C17 Pt1 176.8(12) . ?
C18 C17 Cd2 84.3(9) . ?
Pt1 C17 Cd2 96.4(5) . ?
C17 C18 C19 168.5(14) . ?
C17 C18 Cd2 68.1(8) . ?
C19 C18 Cd2 123.2(9) . ?
C24 C19 C20 118.6(14) . ?
C24 C19 C18 122.1(15) . ?
C20 C19 C18 119.2(13) . ?
C21 C20 C19 120.2(15) . ?
C21 C20 H20A 119.9 . ?
C19 C20 H20A 119.9 . ?
C22 C21 C20 121.8(17) . ?
C22 C21 H21A 119.1 . ?
C20 C21 H21A 119.1 . ?
C21 C22 C23 117.5(16) . ?
C21 C22 H22A 121.2 . ?
C23 C22 H22A 121.2 . ?
C22 C23 C24 123.1(17) . ?
C22 C23 H23A 118.5 . ?
C24 C23 H23A 118.5 . ?
C19 C24 C23 118.8(17) . ?
C19 C24 H24A 120.6 . ?
C23 C24 H24A 120.6 . ?
C26 C25 Pt1 176.9(10) . ?
C26 C25 Cd2 86.6(8) . ?
Pt1 C25 Cd2 96.4(5) . ?
C25 C26 C27 167.3(13) . ?
C25 C26 Cd2 65.8(7) . ?
C27 C26 Cd2 126.7(8) . ?
C28 C27 C32 116.9(12) . ?
C28 C27 C26 124.3(12) . ?
C32 C27 C26 118.8(12) . ?
C29 C28 C27 123.4(13) . ?
C29 C28 H28A 118.3 . ?
C27 C28 H28A 118.3 . ?
C28 C29 C30 119.1(13) . ?
C28 C29 H29A 120.5 . ?
C30 C29 H29A 120.5 . ?
C31 C30 C29 118.8(12) . ?
C31 C30 H30A 120.6 . ?
C29 C30 H30A 120.6 . ?
C30 C31 C32 122.0(12) . ?
C30 C31 H31A 119.0 . ?
C32 C31 H31A 119.0 . ?
C31 C32 C27 119.6(13) . ?
C31 C32 H32A 120.2 . ?
C27 C32 H32A 120.2 . ?
C41 Pt2 C33 85.5(5) 7_575 ?
C41 Pt2 C33 94.5(5) . ?
C41 Pt2 Cd3 50.0(3) . ?
C33 Pt2 Cd3 49.6(4) . ?
C41 Pt2 Cd3 130.0(3) 7_575 ?
C33 Pt2 Cd3 130.4(4) 7_575 ?
Cl5 Cd3 Cl6 115.94(13) . y
Cl5 Cd3 C33 112.4(3) . y
Cl6 Cd3 C33 116.2(3) . y
Cl5 Cd3 C41 112.8(3) . y
Cl6 Cd3 C41 119.2(4) . y
C33 Cd3 C41 73.2(4) . y
Cl5 Cd3 C42 111.5(3) . y
Cl6 Cd3 C42 98.9(4) . y
C33 Cd3 C42 99.6(4) . y
C41 Cd3 C42 28.1(5) . y
Cl5 Cd3 C34 109.4(3) . y
Cl6 Cd3 C34 97.5(3) . y
C33 Cd3 C34 26.3(4) . y
C41 Cd3 C34 98.5(4) . y
C42 Cd3 C34 122.7(4) . y
Cl5 Cd3 Pt2 106.28(10) . ?
Cl6 Cd3 Pt2 137.74(9) . ?
C33 Cd3 Pt2 39.2(3) . ?
C41 Cd3 Pt2 37.6(4) . ?
C42 Cd3 Pt2 65.7(3) . ?
C34 Cd3 Pt2 65.5(3) . ?
C34 C33 Pt2 177.3(12) . ?
C34 C33 Cd3 88.5(10) . ?
Pt2 C33 Cd3 91.2(5) . ?
C33 C34 C35 169.2(14) . ?
C33 C34 Cd3 65.2(9) . ?
C35 C34 Cd3 125.4(9) . ?
C40 C35 C36 119.7(12) . ?
C40 C35 C34 122.0(12) . ?
C36 C35 C34 118.2(13) . ?
C37 C36 C35 122.1(16) . ?
C37 C36 H36A 119.0 . ?
C35 C36 H36A 119.0 . ?
C36 C37 C38 116.8(16) . ?
C36 C37 H37A 121.6 . ?
C38 C37 H37A 121.6 . ?
C39 C38 C37 122.1(14) . ?
C39 C38 H38A 119.0 . ?
C37 C38 H38A 119.0 . ?
C38 C39 C40 120.1(16) . ?
C38 C39 H39A 120.0 . ?
C40 C39 H39A 120.0 . ?
C35 C40 C39 119.0(15) . ?
C35 C40 H40A 120.5 . ?
C39 C40 H40A 120.5 . ?
C42 C41 Pt2 177.8(11) . ?
C42 C41 Cd3 85.4(9) . ?
Pt2 C41 Cd3 92.4(5) . ?
C41 C42 C43 170.4(13) . ?
C41 C42 Cd3 66.4(8) . ?
C43 C42 Cd3 123.2(9) . ?
C48 C43 C44 116.5(15) . ?
C48 C43 C42 126.0(13) . ?
C44 C43 C42 117.5(15) . ?
C45 C44 C43 121.6(18) . ?
C45 C44 H44A 119.2 . ?
C43 C44 H44A 119.2 . ?
C44 C45 C46 119.8(17) . ?
C44 C45 H45A 120.1 . ?
C46 C45 H45A 120.1 . ?
C47 C46 C45 118.1(17) . ?
C47 C46 H46A 121.0 . ?
C45 C46 H46A 121.0 . ?
C48 C47 C46 121(2) . ?
C48 C47 H47A 119.4 . ?
C46 C47 H47A 119.4 . ?
C47 C48 C43 122.8(17) . ?
C47 C48 H48A 118.6 . ?
C43 C48 H48A 118.6 . ?
C61 N1 C57 105.0(10) . ?
C61 N1 C49 110.6(11) . ?
C57 N1 C49 112.3(11) . ?
C61 N1 C53 111.2(11) . ?
C57 N1 C53 112.2(13) . ?
C49 N1 C53 105.6(11) . ?
C50 C49 N1 117.7(12) . ?
C50 C49 H49A 107.9 . ?
N1 C49 H49A 107.9 . ?
C50 C49 H49B 107.9 . ?
N1 C49 H49B 107.9 . ?
H49A C49 H49B 107.2 . ?
C51 C50 C49 109.1(13) . ?
C51 C50 H50A 109.9 . ?
C49 C50 H50A 109.9 . ?
C51 C50 H50B 109.9 . ?
C49 C50 H50B 109.9 . ?
H50A C50 H50B 108.3 . ?
C52 C51 C50 115.0(17) . ?
C52 C51 H51A 108.5 . ?
C50 C51 H51A 108.5 . ?
C52 C51 H51B 108.5 . ?
C50 C51 H51B 108.5 . ?
H51A C51 H51B 107.5 . ?
C51 C52 H52A 109.5 . ?
C51 C52 H52B 109.5 . ?
H52A C52 H52B 109.5 . ?
C51 C52 H52C 109.5 . ?
H52A C52 H52C 109.5 . ?
H52B C52 H52C 109.5 . ?
C54 C53 N1 115.2(13) . ?
C54 C53 H53A 108.5 . ?
N1 C53 H53A 108.5 . ?
C54 C53 H53B 108.5 . ?
N1 C53 H53B 108.5 . ?
H53A C53 H53B 107.5 . ?
C55 C54 C53 112.5(15) . ?
C55 C54 H54A 109.1 . ?
C53 C54 H54A 109.1 . ?
C55 C54 H54B 109.1 . ?
C53 C54 H54B 109.1 . ?
H54A C54 H54B 107.8 . ?
C54 C55 C56 106.5(17) . ?
C54 C55 C56A 107.5(17) . ?
N1 C57 C58 113.0(12) . ?
N1 C57 H57A 109.0 . ?
C58 C57 H57A 109.0 . ?
N1 C57 H57B 109.0 . ?
C58 C57 H57B 109.0 . ?
H57A C57 H57B 107.8 . ?
C57 C58 C59 107.7(13) . ?
C57 C58 H58A 110.2 . ?
C59 C58 H58A 110.2 . ?
C57 C58 H58B 110.2 . ?
C59 C58 H58B 110.2 . ?
H58A C58 H58B 108.5 . ?
C60 C59 C58 113.3(15) . ?
C60 C59 H59A 108.9 . ?
C58 C59 H59A 108.9 . ?
C60 C59 H59B 108.9 . ?
C58 C59 H59B 108.9 . ?
H59A C59 H59B 107.7 . ?
C59 C60 H60A 109.5 . ?
C59 C60 H60B 109.5 . ?
H60A C60 H60B 109.5 . ?
C59 C60 H60C 109.5 . ?
H60A C60 H60C 109.5 . ?
H60B C60 H60C 109.5 . ?
C62 C61 N1 116.1(11) . ?
C62 C61 H61A 108.3 . ?
N1 C61 H61A 108.3 . ?
C62 C61 H61B 108.3 . ?
N1 C61 H61B 108.3 . ?
H61A C61 H61B 107.4 . ?
C61 C62 C63 111.6(11) . ?
C61 C62 H62A 109.3 . ?
C63 C62 H62A 109.3 . ?
C61 C62 H62B 109.3 . ?
C63 C62 H62B 109.3 . ?
H62A C62 H62B 108.0 . ?
C64 C63 C62 113.9(13) . ?
C64 C63 H63A 108.8 . ?
C62 C63 H63A 108.8 . ?
C64 C63 H63B 108.8 . ?
C62 C63 H63B 108.8 . ?
H63A C63 H63B 107.7 . ?
C63 C64 H64A 109.5 . ?
C63 C64 H64B 109.5 . ?
H64A C64 H64B 109.5 . ?
C63 C64 H64C 109.5 . ?
H64A C64 H64C 109.5 . ?
H64B C64 H64C 109.5 . ?
C73 N2 C77 109.8(11) . ?
C73 N2 C69 107.5(12) . ?
C77 N2 C69 109.1(12) . ?
C73 N2 C65 112.8(12) . ?
C77 N2 C65 108.1(12) . ?
C69 N2 C65 109.4(11) . ?
C66 C65 N2 115.7(11) . ?
C66 C65 H65A 108.4 . ?
N2 C65 H65A 108.4 . ?
C66 C65 H65B 108.4 . ?
N2 C65 H65B 108.4 . ?
H65A C65 H65B 107.4 . ?
C65 C66 C67A 107.1(19) . ?
C65 C66 C67 112.5(13) . ?
C68 C67 C66 116.2(14) . ?
C68 C67A C66 116.5(15) . ?
C70 C69 N2 115.9(12) . ?
C70 C69 H69A 108.3 . ?
N2 C69 H69A 108.3 . ?
C70 C69 H69B 108.3 . ?
N2 C69 H69B 108.3 . ?
H69A C69 H69B 107.4 . ?
C69 C70 C71 109.9(12) . ?
C69 C70 H70A 109.7 . ?
C71 C70 H70A 109.7 . ?
C69 C70 H70B 109.7 . ?
C71 C70 H70B 109.7 . ?
H70A C70 H70B 108.2 . ?
C72 C71 C70 112.3(15) . ?
C72 C71 H71A 109.1 . ?
C70 C71 H71A 109.1 . ?
C72 C71 H71B 109.1 . ?
C70 C71 H71B 109.1 . ?
H71A C71 H71B 107.9 . ?
C71 C72 H72A 109.5 . ?
C71 C72 H72B 109.5 . ?
H72A C72 H72B 109.5 . ?
C71 C72 H72C 109.5 . ?
H72A C72 H72C 109.5 . ?
H72B C72 H72C 109.5 . ?
C74 C73 N2 115.2(12) . ?
C74 C73 H73A 108.5 . ?
N2 C73 H73A 108.5 . ?
C74 C73 H73B 108.5 . ?
N2 C73 H73B 108.5 . ?
H73A C73 H73B 107.5 . ?
C73 C74 C75 107.6(11) . ?
C73 C74 H74A 110.2 . ?
C75 C74 H74A 110.2 . ?
C73 C74 H74B 110.2 . ?
C75 C74 H74B 110.2 . ?
H74A C74 H74B 108.5 . ?
C76 C75 C74 109.7(15) . ?
C76 C75 H75A 109.7 . ?
C74 C75 H75A 109.7 . ?
C76 C75 H75B 109.7 . ?
C74 C75 H75B 109.7 . ?
H75A C75 H75B 108.2 . ?
C75 C76 H76A 109.5 . ?
C75 C76 H76B 109.5 . ?
H76A C76 H76B 109.5 . ?
C75 C76 H76C 109.5 . ?
H76A C76 H76C 109.5 . ?
H76B C76 H76C 109.5 . ?
C78 C77 N2 121.4(17) . ?
C78 C77 H77A 107.0 . ?
N2 C77 H77A 107.0 . ?
C78 C77 H77B 107.0 . ?
N2 C77 H77B 107.0 . ?
H77A C77 H77B 106.7 . ?
C77 C78 C79 108.9(18) . ?
C77 C78 H78A 109.9 . ?
C79 C78 H78A 109.9 . ?
C77 C78 H78B 109.9 . ?
C79 C78 H78B 109.9 . ?
H78A C78 H78B 108.3 . ?
C80 C79 C78 109(2) . ?
C80 C79 H79A 109.9 . ?
C78 C79 H79A 109.9 . ?
C80 C79 H79B 109.8 . ?
C78 C79 H79B 109.8 . ?
H79A C79 H79B 108.3 . ?
C79 C80 H80A 109.5 . ?
C79 C80 H80B 109.5 . ?
H80A C80 H80B 109.5 . ?
C79 C80 H80C 109.5 . ?
H80A C80 H80C 109.5 . ?
H80B C80 H80C 109.5 . ?
C85 N3 C89 111.2(13) . ?
C85 N3 C81 106.2(13) . ?
C89 N3 C81 109.8(12) . ?
C85 N3 C93 109.6(12) . ?
C89 N3 C93 108.4(11) . ?
C81 N3 C93 111.8(13) . ?
C82 C81 N3 115.1(13) . ?
C82 C81 H81A 108.5 . ?
N3 C81 H81A 108.5 . ?
C82 C81 H81B 108.5 . ?
N3 C81 H81B 108.5 . ?
H81A C81 H81B 107.5 . ?
C81 C82 C83 102.8(15) . ?
C81 C82 H82A 111.2 . ?
C83 C82 H82A 111.2 . ?
C81 C82 H82B 111.2 . ?
C83 C82 H82B 111.2 . ?
H82A C82 H82B 109.1 . ?
C84 C83 C82 110(2) . ?
C84 C83 H83A 109.7 . ?
C82 C83 H83A 109.7 . ?
C84 C83 H83B 109.7 . ?
C82 C83 H83B 109.7 . ?
H83A C83 H83B 108.2 . ?
C83 C84 H84A 109.5 . ?
C83 C84 H84B 109.5 . ?
H84A C84 H84B 109.5 . ?
C83 C84 H84C 109.5 . ?
H84A C84 H84C 109.5 . ?
H84B C84 H84C 109.5 . ?
C86 C85 N3 118.2(14) . ?
C86 C85 H85A 107.8 . ?
N3 C85 H85A 107.8 . ?
C86 C85 H85B 107.8 . ?
N3 C85 H85B 107.8 . ?
H85A C85 H85B 107.1 . ?
C85 C86 C87 100.8(15) . ?
C85 C86 H86A 111.6 . ?
C87 C86 H86A 111.6 . ?
C85 C86 H86B 111.6 . ?
C87 C86 H86B 111.6 . ?
H86A C86 H86B 109.4 . ?
C88 C87 C86 110(2) . ?
C88 C87 H87A 109.7 . ?
C86 C87 H87A 109.7 . ?
C88 C87 H87B 109.7 . ?
C86 C87 H87B 109.7 . ?
H87A C87 H87B 108.2 . ?
C87 C88 H88A 109.5 . ?
C87 C88 H88B 109.5 . ?
H88A C88 H88B 109.5 . ?
C87 C88 H88C 109.5 . ?
H88A C88 H88C 109.5 . ?
H88B C88 H88C 109.5 . ?
C90 C89 N3 117.9(13) . ?
C90 C89 H89A 107.8 . ?
N3 C89 H89A 107.8 . ?
C90 C89 H89B 107.8 . ?
N3 C89 H89B 107.8 . ?
H89A C89 H89B 107.2 . ?
C89 C90 C91 109.6(14) . ?
C89 C90 H90A 109.7 . ?
C91 C90 H90A 109.7 . ?
C89 C90 H90B 109.7 . ?
C91 C90 H90B 109.7 . ?
H90A C90 H90B 108.2 . ?
C92 C91 C90 115.2(16) . ?
C92 C91 H91A 108.5 . ?
C90 C91 H91A 108.5 . ?
C92 C91 H91B 108.5 . ?
C90 C91 H91B 108.5 . ?
H91A C91 H91B 107.5 . ?
C91 C92 H92A 109.5 . ?
C91 C92 H92B 109.5 . ?
H92A C92 H92B 109.5 . ?
C91 C92 H92C 109.5 . ?
H92A C92 H92C 109.5 . ?
H92B C92 H92C 109.5 . ?
C94 C93 N3 115.2(13) . ?
C94 C93 H93A 108.5 . ?
N3 C93 H93A 108.5 . ?
C94 C93 H93B 108.5 . ?
N3 C93 H93B 108.5 . ?
H93A C93 H93B 107.5 . ?
C93 C94 C95 114.2(16) . ?
C93 C94 H94A 108.7 . ?
C95 C94 H94A 108.7 . ?
C93 C94 H94B 108.7 . ?
C95 C94 H94B 108.7 . ?
H94A C94 H94B 107.6 . ?
C96 C95 C94 110.0(19) . ?
C96 C95 H95A 109.7 . ?
C94 C95 H95A 109.7 . ?
C96 C95 H95B 109.7 . ?
C94 C95 H95B 109.7 . ?
H95A C95 H95B 108.2 . ?
C95 C96 H96A 109.5 . ?
C95 C96 H96B 109.5 . ?
H96A C96 H96B 109.5 . ?
C95 C96 H96C 109.5 . ?
H96A C96 H96C 109.5 . ?
H96B C96 H96C 109.5 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 C1 1.989(13) y
Pt1 C25 1.996(15) y
Pt1 C17 2.003(13) y
Pt1 C9 2.012(13) y
Pt1 Cd1 3.2063(10) y
Pt1 Cd2 3.3117(10) y
Cd2 Cl3 2.404(4) y
Cd2 Cl4 2.406(4) y
Cd2 C17 2.423(12) y
Cd2 C25 2.428(11) y
Cd2 C18 2.598(14) y
Cd2 C26 2.657(12) y
Cd1 Cl1 2.393(4) y
Cd1 C9 2.403(11) y
Cd1 Cl2 2.427(3) y
Cd1 C1 2.459(11) y
Cd1 C2 2.576(12) y
Cd1 C10 2.670(11) y
C1 C2 1.217(16) y
C2 C3 1.446(16) ?
C3 C4 1.374(19) ?
C3 C8 1.384(17) ?
C4 C5 1.345(19) ?
C4 H4A 0.9500 ?
C5 C6 1.38(2) ?
C5 H5A 0.9500 ?
C6 C7 1.34(2) ?
C6 H6A 0.9500 ?
C7 C8 1.349(19) ?
C7 H7A 0.9500 ?
C8 H8A 0.9500 ?
C9 C10 1.210(16) y
C10 C11 1.409(16) ?
C11 C16 1.383(17) ?
C11 C12 1.395(18) ?
C12 C13 1.39(2) ?
C12 H12A 0.9500 ?
C13 C14 1.38(2) ?
C13 H13A 0.9500 ?
C14 C15 1.35(2) ?
C14 H14A 0.9500 ?
C15 C16 1.388(18) ?
C15 H15A 0.9500 ?
C16 H16A 0.9500 ?
C17 C18 1.209(17) y
C18 C19 1.441(18) ?
C19 C24 1.37(2) ?
C19 C20 1.39(2) ?
C20 C21 1.37(2) ?
C20 H20A 0.9500 ?
C21 C22 1.35(2) ?
C21 H21A 0.9500 ?
C22 C23 1.36(3) ?
C22 H22A 0.9500 ?
C23 C24 1.37(2) ?
C23 H23A 0.9500 ?
C24 H24A 0.9500 ?
C25 C26 1.231(17) y
C26 C27 1.418(16) ?
C27 C28 1.381(17) ?
C27 C32 1.403(17) ?
C28 C29 1.360(17) ?
C28 H28A 0.9500 ?
C29 C30 1.391(18) ?
C29 H29A 0.9500 ?
C30 C31 1.363(19) ?
C30 H30A 0.9500 ?
C31 C32 1.381(18) ?
C31 H31A 0.9500 ?
C32 H32A 0.9500 ?
Pt2 C41 1.955(17) y
Pt2 C33 2.023(11) y
Pt2 Cd3 3.2033(10) y
Cd3 Cl5 2.403(4) y
Cd3 Cl6 2.417(4) y
Cd3 C33 2.441(13) y
Cd3 C41 2.456(11) y
Cd3 C42 2.671(12) y
Cd3 C34 2.688(13) y
C33 C34 1.193(16) y
C34 C35 1.436(16) ?
C35 C40 1.370(19) ?
C35 C36 1.411(18) ?
C36 C37 1.38(2) ?
C36 H36A 0.9500 ?
C37 C38 1.39(2) ?
C37 H37A 0.9500 ?
C38 C39 1.39(2) ?
C38 H38A 0.9500 ?
C39 C40 1.394(18) ?
C39 H39A 0.9500 ?
C40 H40A 0.9500 ?
C41 C42 1.26(2) y
C42 C43 1.43(2) ?
C43 C48 1.36(2) ?
C43 C44 1.41(2) ?
C44 C45 1.37(2) ?
C44 H44A 0.9500 ?
C45 C46 1.40(3) ?
C45 H45A 0.9500 ?
C46 C47 1.37(2) ?
C46 H46A 0.9500 ?
C47 C48 1.35(2) ?
C47 H47A 0.9500 ?
C48 H48A 0.9500 ?
N1 C61 1.515(15) ?
N1 C57 1.517(17) ?
N1 C49 1.520(18) ?
N1 C53 1.542(17) ?
C49 C50 1.497(19) ?
C49 H49A 0.9900 ?
C49 H49B 0.9900 ?
C50 C51 1.49(2) ?
C50 H50A 0.9900 ?
C50 H50B 0.9900 ?
C51 C52 1.47(2) ?
C51 H51A 0.9900 ?
C51 H51B 0.9900 ?
C52 H52A 0.9800 ?
C52 H52B 0.9800 ?
C52 H52C 0.9800 ?
C53 C54 1.50(2) ?
C53 H53A 0.9900 ?
C53 H53B 0.9900 ?
C54 C55 1.50(3) ?
C54 H54A 0.9900 ?
C54 H54B 0.9900 ?
C55 C56 1.559(18) ?
C55 C56A 1.56(2) ?
C57 C58 1.54(2) ?
C57 H57A 0.9900 ?
C57 H57B 0.9900 ?
C58 C59 1.54(2) ?
C58 H58A 0.9900 ?
C58 H58B 0.9900 ?
C59 C60 1.46(2) ?
C59 H59A 0.9900 ?
C59 H59B 0.9900 ?
C60 H60A 0.9800 ?
C60 H60B 0.9800 ?
C60 H60C 0.9800 ?
C61 C62 1.515(15) ?
C61 H61A 0.9900 ?
C61 H61B 0.9900 ?
C62 C63 1.523(16) ?
C62 H62A 0.9900 ?
C62 H62B 0.9900 ?
C63 C64 1.435(19) ?
C63 H63A 0.9900 ?
C63 H63B 0.9900 ?
C64 H64A 0.9800 ?
C64 H64B 0.9800 ?
C64 H64C 0.9800 ?
N2 C73 1.494(17) ?
N2 C77 1.501(17) ?
N2 C69 1.514(18) ?
N2 C65 1.526(17) ?
C65 C66 1.516(15) ?
C65 H65A 0.9900 ?
C65 H65B 0.9900 ?
C66 C67A 1.523(17) ?
C66 C67 1.524(17) ?
C67 C68 1.42(2) ?
C68 C67A 1.42(2) ?
C69 C70 1.496(15) ?
C69 H69A 0.9900 ?
C69 H69B 0.9900 ?
C70 C71 1.568(15) ?
C70 H70A 0.9900 ?
C70 H70B 0.9900 ?
C71 C72 1.42(2) ?
C71 H71A 0.9900 ?
C71 H71B 0.9900 ?
C72 H72A 0.9800 ?
C72 H72B 0.9800 ?
C72 H72C 0.9800 ?
C73 C74 1.493(15) ?
C73 H73A 0.9900 ?
C73 H73B 0.9900 ?
C74 C75 1.575(14) ?
C74 H74A 0.9900 ?
C74 H74B 0.9900 ?
C75 C76 1.41(2) ?
C75 H75A 0.9900 ?
C75 H75B 0.9900 ?
C76 H76A 0.9800 ?
C76 H76B 0.9800 ?
C76 H76C 0.9800 ?
C77 C78 1.45(2) ?
C77 H77A 0.9900 ?
C77 H77B 0.9900 ?
C78 C79 1.64(3) ?
C78 H78A 0.9900 ?
C78 H78B 0.9900 ?
C79 C80 1.34(3) ?
C79 H79A 0.9900 ?
C79 H79B 0.9900 ?
C80 H80A 0.9800 ?
C80 H80B 0.9800 ?
C80 H80C 0.9800 ?
N3 C85 1.511(18) ?
N3 C89 1.512(19) ?
N3 C81 1.513(18) ?
N3 C93 1.540(18) ?
C81 C82 1.490(19) ?
C81 H81A 0.9900 ?
C81 H81B 0.9900 ?
C82 C83 1.61(2) ?
C82 H82A 0.9900 ?
C82 H82B 0.9900 ?
C83 C84 1.19(2) ?
C83 H83A 0.9900 ?
C83 H83B 0.9900 ?
C84 H84A 0.9800 ?
C84 H84B 0.9800 ?
C84 H84C 0.9800 ?
C85 C86 1.497(19) ?
C85 H85A 0.9900 ?
C85 H85B 0.9900 ?
C86 C87 1.62(2) ?
C86 H86A 0.9900 ?
C86 H86B 0.9900 ?
C87 C88 1.18(2) ?
C87 H87A 0.9900 ?
C87 H87B 0.9900 ?
C88 H88A 0.9800 ?
C88 H88B 0.9800 ?
C88 H88C 0.9800 ?
C89 C90 1.50(2) ?
C89 H89A 0.9900 ?
C89 H89B 0.9900 ?
C90 C91 1.51(2) ?
C90 H90A 0.9900 ?
C90 H90B 0.9900 ?
C91 C92 1.49(2) ?
C91 H91A 0.9900 ?
C91 H91B 0.9900 ?
C92 H92A 0.9800 ?
C92 H92B 0.9800 ?
C92 H92C 0.9800 ?
C93 C94 1.50(2) ?
C93 H93A 0.9900 ?
C93 H93B 0.9900 ?
C94 C95 1.56(2) ?
C94 H94A 0.9900 ?
C94 H94B 0.9900 ?
C95 C96 1.42(3) ?
C95 H95A 0.9900 ?
C95 H95B 0.9900 ?
C96 H96A 0.9800 ?
C96 H96B 0.9800 ?
C96 H96C 0.9800 ?
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
C1 Pt1 Cd2 Cl3 102.5(5) .
C25 Pt1 Cd2 Cl3 -77.9(5) .
C17 Pt1 Cd2 Cl3 86.5(5) .
C9 Pt1 Cd2 Cl3 -95.9(5) .
Cd1 Pt1 Cd2 Cl3 -12.9(2) .
C1 Pt1 Cd2 Cl4 -83.1(5) .
C25 Pt1 Cd2 Cl4 96.5(5) .
C17 Pt1 Cd2 Cl4 -99.2(5) .
C9 Pt1 Cd2 Cl4 78.5(5) .
Cd1 Pt1 Cd2 Cl4 161.5(2) .
C1 Pt1 Cd2 C17 16.0(7) .
C25 Pt1 Cd2 C17 -164.4(7) .
C9 Pt1 Cd2 C17 177.6(7) .
Cd1 Pt1 Cd2 C17 -99.4(5) .
C1 Pt1 Cd2 C25 -179.6(7) .
C17 Pt1 Cd2 C25 164.4(7) .
C9 Pt1 Cd2 C25 -18.0(7) .
Cd1 Pt1 Cd2 C25 65.0(5) .
C1 Pt1 Cd2 C18 14.4(6) .
C25 Pt1 Cd2 C18 -166.0(6) .
C17 Pt1 Cd2 C18 -1.6(6) .
C9 Pt1 Cd2 C18 176.0(6) .
Cd1 Pt1 Cd2 C18 -101.0(4) .
C1 Pt1 Cd2 C26 -179.6(6) .
C25 Pt1 Cd2 C26 0.0(6) .
C17 Pt1 Cd2 C26 164.4(6) .
C9 Pt1 Cd2 C26 -18.0(5) .
Cd1 Pt1 Cd2 C26 65.0(3) .
C1 Pt1 Cd1 Cl1 75.9(5) .
C25 Pt1 Cd1 Cl1 -103.0(5) .
C17 Pt1 Cd1 Cl1 112.0(5) .
C9 Pt1 Cd1 Cl1 -66.5(5) .
Cd2 Pt1 Cd1 Cl1 -159.55(19) .
C1 Pt1 Cd1 C9 142.3(6) .
C25 Pt1 Cd1 C9 -36.6(6) .
C17 Pt1 Cd1 C9 178.5(7) .
Cd2 Pt1 Cd1 C9 -93.1(5) .
C1 Pt1 Cd1 Cl2 -99.8(5) .
C25 Pt1 Cd1 Cl2 81.3(5) .
C17 Pt1 Cd1 Cl2 -63.7(5) .
C9 Pt1 Cd1 Cl2 117.9(4) .
Cd2 Pt1 Cd1 Cl2 24.77(18) .
C25 Pt1 Cd1 C1 -178.9(6) .
C17 Pt1 Cd1 C1 36.1(7) .
C9 Pt1 Cd1 C1 -142.3(6) .
Cd2 Pt1 Cd1 C1 124.6(5) .
C1 Pt1 Cd1 C2 -0.1(5) .
C25 Pt1 Cd1 C2 -179.0(5) .
C17 Pt1 Cd1 C2 36.1(6) .
C9 Pt1 Cd1 C2 -142.4(5) .
Cd2 Pt1 Cd1 C2 124.5(3) .
C1 Pt1 Cd1 C10 142.5(5) .
C25 Pt1 Cd1 C10 -36.4(5) .
C17 Pt1 Cd1 C10 178.7(6) .
C9 Pt1 Cd1 C10 0.2(5) .
Cd2 Pt1 Cd1 C10 -92.9(3) .
C25 Pt1 C1 C2 22(18) .
C17 Pt1 C1 C2 -154(9) .
C9 Pt1 C1 C2 29(9) .
Cd1 Pt1 C1 C2 1(9) .
Cd2 Pt1 C1 C2 -165(9) .
C25 Pt1 C1 Cd1 20(11) .
C17 Pt1 C1 Cd1 -155.0(5) .
C9 Pt1 C1 Cd1 27.2(4) .
Cd2 Pt1 C1 Cd1 -166.53(10) .
Cl1 Cd1 C1 C2 43.8(9) .
C9 Cd1 C1 C2 156.5(9) .
Cl2 Cd1 C1 C2 -88.1(8) .
C10 Cd1 C1 C2 146.2(8) .
Pt1 Cd1 C1 C2 -179.8(11) .
Cl1 Cd1 C1 Pt1 -136.3(3) .
C9 Cd1 C1 Pt1 -23.7(4) .
Cl2 Cd1 C1 Pt1 91.8(4) .
C2 Cd1 C1 Pt1 179.8(11) .
C10 Cd1 C1 Pt1 -34.0(5) .
Pt1 C1 C2 C3 164(7) .
Cd1 C1 C2 C3 166(11) .
Pt1 C1 C2 Cd1 -1(9) .
Cl1 Cd1 C2 C1 -143.5(8) .
C9 Cd1 C2 C1 -22.6(9) .
Cl2 Cd1 C2 C1 100.1(8) .
C10 Cd1 C2 C1 -39.5(10) .
Pt1 Cd1 C2 C1 0.1(7) .
Cl1 Cd1 C2 C3 38.4(9) .
C9 Cd1 C2 C3 159.2(9) .
Cl2 Cd1 C2 C3 -78.1(9) .
C1 Cd1 C2 C3 -178.2(15) .
C10 Cd1 C2 C3 142.3(9) .
Pt1 Cd1 C2 C3 -178.1(10) .
C1 C2 C3 C4 48(12) .
Cd1 C2 C3 C4 -147.4(13) .
C1 C2 C3 C8 -132(11) .
Cd1 C2 C3 C8 32.7(17) .
C8 C3 C4 C5 2(3) .
C2 C3 C4 C5 -177.8(17) .
C3 C4 C5 C6 -4(3) .
C4 C5 C6 C7 4(3) .
C5 C6 C7 C8 -2(3) .
C6 C7 C8 C3 0(3) .
C4 C3 C8 C7 0(3) .
C2 C3 C8 C7 -179.8(16) .
C1 Pt1 C9 C10 165(36) .
C25 Pt1 C9 C10 -16(36) .
C17 Pt1 C9 C10 35(41) .
Cd1 Pt1 C9 C10 -167(36) .
Cd2 Pt1 C9 C10 -3(36) .
C1 Pt1 C9 Cd1 -27.9(4) .
C25 Pt1 C9 Cd1 151.8(5) .
C17 Pt1 C9 Cd1 -158(9) .
Cd2 Pt1 C9 Cd1 164.81(8) .
Cl1 Cd1 C9 C10 -39.0(9) .
Cl2 Cd1 C9 C10 102.3(8) .
C1 Cd1 C9 C10 -156.9(9) .
C2 Cd1 C9 C10 -146.1(8) .
Pt1 Cd1 C9 C10 179.6(11) .
Cl1 Cd1 C9 Pt1 141.3(3) .
Cl2 Cd1 C9 Pt1 -77.4(4) .
C1 Cd1 C9 Pt1 23.4(4) .
C2 Cd1 C9 Pt1 34.3(5) .
C10 Cd1 C9 Pt1 -179.6(11) .
Pt1 C9 C10 C11 -33(42) .
Cd1 C9 C10 C11 160(7) .
Pt1 C9 C10 Cd1 167(36) .
Cl1 Cd1 C10 C9 146.0(8) .
Cl2 Cd1 C10 C9 -93.5(8) .
C1 Cd1 C10 C9 22.1(9) .
C2 Cd1 C10 C9 39.5(10) .
Pt1 Cd1 C10 C9 -0.3(7) .
Cl1 Cd1 C10 C11 -29.6(11) .
C9 Cd1 C10 C11 -175.7(16) .
Cl2 Cd1 C10 C11 90.8(11) .
C1 Cd1 C10 C11 -153.6(11) .
C2 Cd1 C10 C11 -136.1(10) .
Pt1 Cd1 C10 C11 -175.9(12) .
C9 C10 C11 C16 -105(7) .
Cd1 C10 C11 C16 52.4(17) .
C9 C10 C11 C12 76(8) .
Cd1 C10 C11 C12 -126.1(11) .
C16 C11 C12 C13 6(2) .
C10 C11 C12 C13 -175.1(14) .
C11 C12 C13 C14 -7(3) .
C12 C13 C14 C15 4(3) .
C13 C14 C15 C16 -1(3) .
C12 C11 C16 C15 -3(2) .
C10 C11 C16 C15 178.1(13) .
C14 C15 C16 C11 1(2) .
C1 Pt1 C17 C18 -66(21) .
C25 Pt1 C17 C18 114(21) .
C9 Pt1 C17 C18 64(24) .
Cd1 Pt1 C17 C18 -93(21) .
Cd2 Pt1 C17 C18 103(21) .
C1 Pt1 C17 Cd2 -168.9(5) .
C25 Pt1 C17 Cd2 11.3(5) .
C9 Pt1 C17 Cd2 -39(10) .
Cd1 Pt1 C17 Cd2 164.23(10) .
Cl3 Cd2 C17 C18 62.4(10) .
Cl4 Cd2 C17 C18 -79.2(10) .
C25 Cd2 C17 C18 173.4(10) .
C26 Cd2 C17 C18 168.8(9) .
Pt1 Cd2 C17 C18 -176.9(12) .
Cl3 Cd2 C17 Pt1 -120.7(4) .
Cl4 Cd2 C17 Pt1 97.7(4) .
C25 Cd2 C17 Pt1 -9.7(4) .
C18 Cd2 C17 Pt1 176.9(12) .
C26 Cd2 C17 Pt1 -14.2(5) .
Pt1 C17 C18 C19 69(25) .
Cd2 C17 C18 C19 172(8) .
Pt1 C17 C18 Cd2 -103(21) .
Cl3 Cd2 C18 C17 -127.7(9) .
Cl4 Cd2 C18 C17 110.7(9) .
C25 Cd2 C18 C17 -6.4(10) .
C26 Cd2 C18 C17 -13.8(12) .
Pt1 Cd2 C18 C17 2.1(8) .
Cl3 Cd2 C18 C19 54.3(12) .
Cl4 Cd2 C18 C19 -67.3(12) .
C17 Cd2 C18 C19 -178.0(18) .
C25 Cd2 C18 C19 175.6(11) .
C26 Cd2 C18 C19 168.2(10) .
Pt1 Cd2 C18 C19 -176.0(13) .
C17 C18 C19 C24 -161(7) .
Cd2 C18 C19 C24 9(2) .
C17 C18 C19 C20 15(9) .
Cd2 C18 C19 C20 -174.6(11) .
C24 C19 C20 C21 -3(3) .
C18 C19 C20 C21 -179.5(15) .
C19 C20 C21 C22 3(3) .
C20 C21 C22 C23 0(3) .
C21 C22 C23 C24 -1(4) .
C20 C19 C24 C23 2(3) .
C18 C19 C24 C23 178.2(19) .
C22 C23 C24 C19 0(4) .
C1 Pt1 C25 C26 -6(30) .
C17 Pt1 C25 C26 170(21) .
C9 Pt1 C25 C26 -13(21) .
Cd1 Pt1 C25 C26 14(21) .
Cd2 Pt1 C25 C26 -179(100) .
C1 Pt1 C25 Cd2 173(21) .
C17 Pt1 C25 Cd2 -11.3(5) .
C9 Pt1 C25 Cd2 166.5(5) .
Cd1 Pt1 C25 Cd2 -166.92(9) .
Cl3 Cd2 C25 C26 -54.1(9) .
Cl4 Cd2 C25 C26 80.3(9) .
C17 Cd2 C25 C26 -170.3(9) .
C18 Cd2 C25 C26 -167.2(8) .
Pt1 Cd2 C25 C26 180.0(11) .
Cl3 Cd2 C25 Pt1 126.0(4) .
Cl4 Cd2 C25 Pt1 -99.7(4) .
C17 Cd2 C25 Pt1 9.7(4) .
C18 Cd2 C25 Pt1 12.9(5) .
C26 Cd2 C25 Pt1 -180.0(11) .
Pt1 C25 C26 C27 -9(26) .
Cd2 C25 C26 C27 172(6) .
Pt1 C25 C26 Cd2 179(100) .
Cl3 Cd2 C26 C25 132.8(8) .
Cl4 Cd2 C26 C25 -109.0(8) .
C17 Cd2 C26 C25 9.4(9) .
C18 Cd2 C26 C25 15.9(10) .
Pt1 Cd2 C26 C25 0.0(7) .
Cl3 Cd2 C26 C27 -45.0(11) .
Cl4 Cd2 C26 C27 73.2(11) .
C17 Cd2 C26 C27 -168.4(11) .
C25 Cd2 C26 C27 -177.8(16) .
C18 Cd2 C26 C27 -162.0(10) .
Pt1 Cd2 C26 C27 -177.9(12) .
C25 C26 C27 C28 -165(6) .
Cd2 C26 C27 C28 6.2(19) .
C25 C26 C27 C32 15(7) .
Cd2 C26 C27 C32 -173.7(9) .
C32 C27 C28 C29 -1(2) .
C26 C27 C28 C29 179.0(13) .
C27 C28 C29 C30 -2(2) .
C28 C29 C30 C31 4(2) .
C29 C30 C31 C32 -4(2) .
C30 C31 C32 C27 1(2) .
C28 C27 C32 C31 1.2(19) .
C26 C27 C32 C31 -178.9(12) .
C41 Pt2 Cd3 Cl5 73.5(5) 7_575
C41 Pt2 Cd3 Cl5 -106.5(5) .
C33 Pt2 Cd3 Cl5 -74.4(5) 7_575
C33 Pt2 Cd3 Cl5 105.6(5) .
Cd3 Pt2 Cd3 Cl5 -169.1(19) 7_575
C41 Pt2 Cd3 Cl6 -103.9(5) 7_575
C41 Pt2 Cd3 Cl6 76.1(5) .
C33 Pt2 Cd3 Cl6 108.2(5) 7_575
C33 Pt2 Cd3 Cl6 -71.8(5) .
Cd3 Pt2 Cd3 Cl6 13.5(18) 7_575
C41 Pt2 Cd3 C33 -32.1(7) 7_575
C41 Pt2 Cd3 C33 147.9(7) .
C33 Pt2 Cd3 C33 180.001(5) 7_575
Cd3 Pt2 Cd3 C33 85.3(19) 7_575
C41 Pt2 Cd3 C41 -179.993(4) 7_575
C33 Pt2 Cd3 C41 32.1(7) 7_575
C33 Pt2 Cd3 C41 -147.9(7) .
Cd3 Pt2 Cd3 C41 -63(2) 7_575
C41 Pt2 Cd3 C42 -179.8(6) 7_575
C41 Pt2 Cd3 C42 0.2(6) .
C33 Pt2 Cd3 C42 32.3(6) 7_575
C33 Pt2 Cd3 C42 -147.7(6) .
Cd3 Pt2 Cd3 C42 -62(2) 7_575
C41 Pt2 Cd3 C34 -30.8(6) 7_575
C41 Pt2 Cd3 C34 149.2(6) .
C33 Pt2 Cd3 C34 -178.7(6) 7_575
C33 Pt2 Cd3 C34 1.3(6) .
Cd3 Pt2 Cd3 C34 86.6(19) 7_575
C41 Pt2 C33 C34 72(25) 7_575
C41 Pt2 C33 C34 -108(25) .
C33 Pt2 C33 C34 83(26) 7_575
Cd3 Pt2 C33 C34 -84(25) .
Cd3 Pt2 C33 C34 96(25) 7_575
C41 Pt2 C33 Cd3 155.9(5) 7_575
C41 Pt2 C33 Cd3 -24.1(5) .
C33 Pt2 C33 Cd3 168(7) 7_575
Cd3 Pt2 C33 Cd3 180.004(2) 7_575
Cl5 Cd3 C33 C34 88.8(9) .
Cl6 Cd3 C33 C34 -48.1(9) .
C41 Cd3 C33 C34 -162.9(10) .
C42 Cd3 C33 C34 -153.1(9) .
Pt2 Cd3 C33 C34 177.3(12) .
Cl5 Cd3 C33 Pt2 -88.5(4) .
Cl6 Cd3 C33 Pt2 134.6(3) .
C41 Cd3 C33 Pt2 19.8(5) .
C42 Cd3 C33 Pt2 29.6(5) .
C34 Cd3 C33 Pt2 -177.3(12) .
Pt2 C33 C34 C35 -105(25) .
Cd3 C33 C34 C35 170(7) .
Pt2 C33 C34 Cd3 84(25) .
Cl5 Cd3 C34 C33 -101.4(9) .
Cl6 Cd3 C34 C33 137.6(9) .
C41 Cd3 C34 C33 16.5(10) .
C42 Cd3 C34 C33 32.0(11) .
Pt2 Cd3 C34 C33 -1.9(8) .
Cl5 Cd3 C34 C35 80.8(11) .
Cl6 Cd3 C34 C35 -40.1(11) .
C33 Cd3 C34 C35 -177.8(17) .
C41 Cd3 C34 C35 -161.2(11) .
C42 Cd3 C34 C35 -145.8(10) .
Pt2 Cd3 C34 C35 -179.6(11) .
C33 C34 C35 C40 -131(7) .
Cd3 C34 C35 C40 38.2(17) .
C33 C34 C35 C36 52(8) .
Cd3 C34 C35 C36 -139.2(10) .
C40 C35 C36 C37 3(2) .
C34 C35 C36 C37 -179.1(13) .
C35 C36 C37 C38 0(2) .
C36 C37 C38 C39 -2(2) .
C37 C38 C39 C40 0(2) .
C36 C35 C40 C39 -5(2) .
C34 C35 C40 C39 177.3(13) .
C38 C39 C40 C35 4(2) .
C41 Pt2 C41 C42 94(34) 7_575
C33 Pt2 C41 C42 -165(32) 7_575
C33 Pt2 C41 C42 15(32) .
Cd3 Pt2 C41 C42 -9(32) .
Cd3 Pt2 C41 C42 171(100) 7_575
C41 Pt2 C41 Cd3 104(8) 7_575
C33 Pt2 C41 Cd3 -156.0(5) 7_575
C33 Pt2 C41 Cd3 24.0(5) .
Cd3 Pt2 C41 Cd3 179.997(3) 7_575
Cl5 Cd3 C41 C42 -93.1(9) .
Cl6 Cd3 C41 C42 48.0(10) .
C33 Cd3 C41 C42 159.1(10) .
C34 Cd3 C41 C42 151.6(9) .
Pt2 Cd3 C41 C42 179.7(12) .
Cl5 Cd3 C41 Pt2 87.2(4) .
Cl6 Cd3 C41 Pt2 -131.6(4) .
C33 Cd3 C41 Pt2 -20.5(4) .
C42 Cd3 C41 Pt2 -179.7(12) .
C34 Cd3 C41 Pt2 -28.1(5) .
Pt2 C41 C42 C43 -168(26) .
Cd3 C41 C42 C43 -177(9) .
Pt2 C41 C42 Cd3 9(32) .
Cl5 Cd3 C42 C41 98.6(9) .
Cl6 Cd3 C42 C41 -138.9(9) .
C33 Cd3 C42 C41 -20.2(10) .
C34 Cd3 C42 C41 -34.0(11) .
Pt2 Cd3 C42 C41 -0.2(8) .
Cl5 Cd3 C42 C43 -82.0(12) .
Cl6 Cd3 C42 C43 40.5(11) .
C33 Cd3 C42 C43 159.2(11) .
C41 Cd3 C42 C43 179.4(18) .
C34 Cd3 C42 C43 145.4(11) .
Pt2 Cd3 C42 C43 179.2(12) .
C41 C42 C43 C48 149(8) .
Cd3 C42 C43 C48 -28(2) .
C41 C42 C43 C44 -31(10) .
Cd3 C42 C43 C44 152.2(11) .
C48 C43 C44 C45 0(2) .
C42 C43 C44 C45 179.4(16) .
C43 C44 C45 C46 -1(3) .
C44 C45 C46 C47 4(3) .
C45 C46 C47 C48 -6(3) .
C46 C47 C48 C43 5(3) .
C44 C43 C48 C47 -2(2) .
C42 C43 C48 C47 178.6(15) .
C61 N1 C49 C50 -60.2(15) .
C57 N1 C49 C50 56.7(16) .
C53 N1 C49 C50 179.3(13) .
N1 C49 C50 C51 -177.7(12) .
C49 C50 C51 C52 177.9(16) .
C61 N1 C53 C54 60.2(19) .
C57 N1 C53 C54 -57.1(19) .
C49 N1 C53 C54 -179.8(15) .
N1 C53 C54 C55 167.4(16) .
C53 C54 C55 C56 -144(3) .
C53 C54 C55 C56A 63(3) .
C61 N1 C57 C58 -176.4(14) .
C49 N1 C57 C58 63.4(18) .
C53 N1 C57 C58 -55.5(18) .
N1 C57 C58 C59 -172.9(14) .
C57 C58 C59 C60 73.0(18) .
C57 N1 C61 C62 -176.3(14) .
C49 N1 C61 C62 -54.9(16) .
C53 N1 C61 C62 62.1(18) .
N1 C61 C62 C63 -177.8(14) .
C61 C62 C63 C64 -172.2(16) .
C73 N2 C65 C66 57.9(18) .
C77 N2 C65 C66 179.5(14) .
C69 N2 C65 C66 -61.8(17) .
N2 C65 C66 C67A 154.8(16) .
N2 C65 C66 C67 -153.9(17) .
C65 C66 C67 C68 -53(3) .
C67A C66 C67 C68 41(2) .
C66 C67 C68 C67A -41(2) .
C67 C68 C67A C66 42(2) .
C65 C66 C67A C68 64(3) .
C67 C66 C67A C68 -41(2) .
C73 N2 C69 C70 -178.7(13) .
C77 N2 C69 C70 62.2(17) .
C65 N2 C69 C70 -55.8(16) .
N2 C69 C70 C71 -167.6(13) .
C69 C70 C71 C72 71(2) .
C77 N2 C73 C74 -58.5(19) .
C69 N2 C73 C74 -177.1(15) .
C65 N2 C73 C74 62.1(18) .
N2 C73 C74 C75 -173.7(17) .
C73 C74 C75 C76 173(2) .
C73 N2 C77 C78 -56(2) .
C69 N2 C77 C78 62.1(19) .
C65 N2 C77 C78 -179.0(16) .
N2 C77 C78 C79 170.4(14) .
C77 C78 C79 C80 165.4(19) .
C85 N3 C81 C82 172.9(16) .
C89 N3 C81 C82 -66.9(19) .
C93 N3 C81 C82 53(2) .
N3 C81 C82 C83 -174.4(17) .
C81 C82 C83 C84 174(3) .
C89 N3 C85 C86 54(2) .
C81 N3 C85 C86 173.5(17) .
C93 N3 C85 C86 -66(2) .
N3 C85 C86 C87 173.3(18) .
C85 C86 C87 C88 -161(3) .
C85 N3 C89 C90 56.8(18) .
C81 N3 C89 C90 -60.3(18) .
C93 N3 C89 C90 177.3(14) .
N3 C89 C90 C91 -172.6(14) .
C89 C90 C91 C92 176.8(18) .
C85 N3 C93 C94 -56.4(19) .
C89 N3 C93 C94 -177.9(14) .
C81 N3 C93 C94 61.0(18) .
N3 C93 C94 C95 -171.4(14) .
C93 C94 C95 C96 74(2) .
