#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/57/7035799.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_7035799
loop_
_publ_author_name
'Zigon, Nicolas'
'Kyritsakas, Nathalie'
'Hosseini, Mir Wais'
_publ_section_title
;
 Molecular tectonics: heterometallic coordination networks based on a
 Pt(ii) organometallic metallatecton.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14204
_journal_page_last               14207
_journal_paper_doi               10.1039/c5dt02404h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C51 H41 Cd Cl2 N2 O P2 Pt,2(C2 H2 Cl4)'
_chemical_formula_sum            'C55 H45 Cd Cl10 N2 O P2 Pt'
_chemical_formula_weight         1473.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                96.5820(10)
_cell_angle_beta                 102.6170(10)
_cell_angle_gamma                100.1690(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7730(3)
_cell_length_b                   18.3347(5)
_cell_length_c                   19.9481(6)
_cell_measurement_reflns_used    9791
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      31.45
_cell_measurement_theta_min      2.24
_cell_volume                     3389.35(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19923
_diffrn_reflns_theta_full        30.72
_diffrn_reflns_theta_max         30.72
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    2.851
_exptl_absorpt_correction_T_max  0.8706
_exptl_absorpt_correction_T_min  0.8476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1446
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_platon_squeeze_details          ' '
_refine_diff_density_max         2.003
_refine_diff_density_min         -1.790
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     707
_refine_ls_number_reflns         19923
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1131P)²+9.5243P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1735
_refine_ls_wR_factor_ref         0.1835
_reflns_number_gt                16147
_reflns_number_total             19923
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02404h2.cif
_cod_data_source_block           e2986a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035795--7035799.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035799
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.18606(4) 0.474556(18) 0.039406(16) 0.01747(9) Uani 1 1 d .
Cl1 Cl 0.07791(13) 0.59492(7) 0.01832(6) 0.0241(2) Uani 1 1 d .
Cl2 Cl 0.43799(14) 0.55520(7) 0.07742(7) 0.0267(3) Uani 1 1 d .
N1 N 0.2661(5) 0.3610(2) 0.0513(2) 0.0265(9) Uani 1 1 d .
C1 C 0.3994(6) 0.3559(3) 0.0483(3) 0.0277(11) Uani 1 1 d .
H1 H 0.4660 0.4004 0.0481 0.033 Uiso 1 1 calc R
C2 C 0.4444(6) 0.2882(3) 0.0454(3) 0.0297(12) Uani 1 1 d .
H2 H 0.5408 0.2871 0.0445 0.036 Uiso 1 1 calc R
C3 C 0.3484(7) 0.2218(3) 0.0439(3) 0.0328(13) Uani 1 1 d .
C4 C 0.2124(8) 0.2284(4) 0.0490(5) 0.050(2) Uani 1 1 d .
H4 H 0.1445 0.1851 0.0508 0.060 Uiso 1 1 calc R
C5 C 0.1745(8) 0.2978(4) 0.0515(5) 0.0472(18) Uani 1 1 d .
H5 H 0.0792 0.3005 0.0534 0.057 Uiso 1 1 calc R
C6 C 0.3916(7) 0.1513(3) 0.0363(3) 0.0335(12) Uani 1 1 d .
C7 C 0.4298(6) 0.0933(3) 0.0238(3) 0.0300(11) Uani 1 1 d .
Pt1 Pt 0.5000 0.0000 0.0000 0.02663(8) Uani 1 2 d S
P1 P 0.68280(17) 0.03488(8) 0.10028(8) 0.0299(3) Uani 1 1 d .
C8 C 0.6239(8) 0.0061(3) 0.1750(3) 0.0371(14) Uani 1 1 d .
C9 C 0.7195(11) -0.0062(5) 0.2343(4) 0.063(2) Uani 1 1 d .
H9 H 0.8183 -0.0021 0.2355 0.075 Uiso 1 1 calc R
C10 C 0.6679(13) -0.0243(6) 0.2910(5) 0.077(3) Uani 1 1 d .
H10 H 0.7325 -0.0330 0.3309 0.092 Uiso 1 1 calc R
C11 C 0.5317(13) -0.0297(5) 0.2913(5) 0.068(3) Uani 1 1 d .
H11 H 0.4994 -0.0420 0.3310 0.081 Uiso 1 1 calc R
C12 C 0.4351(12) -0.0172(6) 0.2333(6) 0.070(3) Uani 1 1 d .
H12 H 0.3372 -0.0205 0.2338 0.084 Uiso 1 1 calc R
C13 C 0.4807(9) 0.0002(4) 0.1749(4) 0.0481(17) Uani 1 1 d .
H13 H 0.4143 0.0079 0.1352 0.058 Uiso 1 1 calc R
C14 C 0.8449(7) -0.0026(4) 0.1005(4) 0.0383(14) Uani 1 1 d .
C15 C 0.9655(7) 0.0402(4) 0.0900(4) 0.0409(15) Uani 1 1 d .
H15 H 0.9676 0.0913 0.0850 0.049 Uiso 1 1 calc R
C16 C 1.0847(8) 0.0101(5) 0.0865(4) 0.0525(19) Uani 1 1 d .
H16 H 1.1667 0.0404 0.0780 0.063 Uiso 1 1 calc R
C17 C 1.0856(9) -0.0636(6) 0.0951(5) 0.064(2) Uani 1 1 d .
H17 H 1.1680 -0.0839 0.0934 0.077 Uiso 1 1 calc R
C18 C 0.9657(10) -0.1068(5) 0.1063(6) 0.068(3) Uani 1 1 d .
H18 H 0.9655 -0.1574 0.1125 0.082 Uiso 1 1 calc R
C19 C 0.8433(9) -0.0777(4) 0.1085(5) 0.054(2) Uani 1 1 d .
H19 H 0.7602 -0.1084 0.1155 0.064 Uiso 1 1 calc R
C20 C 0.7528(7) 0.1358(3) 0.1237(4) 0.0372(14) Uani 1 1 d .
C21 C 0.7607(8) 0.1778(4) 0.0710(5) 0.0500(19) Uani 1 1 d .
H21 H 0.7271 0.1551 0.0235 0.060 Uiso 1 1 calc R
C22 C 0.8204(10) 0.2557(5) 0.0895(7) 0.071(3) Uani 1 1 d .
H22 H 0.8256 0.2856 0.0539 0.085 Uiso 1 1 calc R
C23 C 0.8699(12) 0.2881(5) 0.1566(8) 0.081(4) Uani 1 1 d .
H23 H 0.9111 0.3403 0.1677 0.097 Uiso 1 1 calc R
C24 C 0.8615(12) 0.2471(5) 0.2086(7) 0.085(4) Uani 1 1 d .
H24 H 0.8963 0.2705 0.2558 0.102 Uiso 1 1 calc R
C25 C 0.8009(9) 0.1697(4) 0.1924(5) 0.058(2) Uani 1 1 d .
H25 H 0.7932 0.1410 0.2286 0.069 Uiso 1 1 calc R
N2 N 0.1476(5) 0.4737(3) 0.1504(2) 0.0253(9) Uani 1 1 d .
C26 C 0.2501(7) 0.4632(5) 0.2021(3) 0.052(2) Uani 1 1 d .
H26 H 0.3338 0.4506 0.1913 0.062 Uiso 1 1 calc R
C27 C 0.2417(7) 0.4696(6) 0.2711(3) 0.055(2) Uani 1 1 d .
H27 H 0.3195 0.4633 0.3064 0.066 Uiso 1 1 calc R
C28 C 0.1183(6) 0.4854(4) 0.2880(3) 0.0290(11) Uani 1 1 d .
C29 C 0.0107(6) 0.4950(4) 0.2336(3) 0.0287(12) Uani 1 1 d .
H29 H -0.0759 0.5057 0.2424 0.034 Uiso 1 1 calc R
C30 C 0.0295(6) 0.4889(3) 0.1665(3) 0.0275(11) Uani 1 1 d .
H30 H -0.0457 0.4960 0.1302 0.033 Uiso 1 1 calc R
C31 C 0.0980(7) 0.4899(4) 0.3567(3) 0.0324(12) Uani 1 1 d .
C32 C 0.0676(6) 0.4946(4) 0.4130(3) 0.0302(12) Uani 1 1 d .
Pt2 Pt 0.0000 0.5000 0.5000 0.02545(8) Uani 1 2 d S
P2 P -0.19791(15) 0.41152(9) 0.43747(7) 0.0272(3) Uani 1 1 d .
C33 C -0.2671(6) 0.4369(4) 0.3528(3) 0.0341(13) Uani 1 1 d .
C34 C -0.3158(9) 0.3836(5) 0.2921(3) 0.0525(19) Uani 1 1 d .
H34 H -0.3125 0.3322 0.2931 0.063 Uiso 1 1 calc R
C35 C -0.3696(9) 0.4088(7) 0.2299(4) 0.069(3) Uani 1 1 d .
H35 H -0.4027 0.3731 0.1884 0.082 Uiso 1 1 calc R
C36 C -0.3768(8) 0.4787(7) 0.2257(4) 0.072(3) Uani 1 1 d .
H36 H -0.4118 0.4933 0.1820 0.086 Uiso 1 1 calc R
C37 C -0.3327(9) 0.5310(6) 0.2858(5) 0.061(2) Uani 1 1 d .
H37 H -0.3415 0.5815 0.2837 0.073 Uiso 1 1 calc R
C38 C -0.2751(8) 0.5104(5) 0.3498(4) 0.0468(17) Uani 1 1 d .
H38 H -0.2419 0.5470 0.3907 0.056 Uiso 1 1 calc R
C39 C -0.3543(6) 0.3938(4) 0.4736(3) 0.0313(12) Uani 1 1 d .
C40 C -0.4835(7) 0.4126(5) 0.4441(4) 0.0455(16) Uani 1 1 d .
H40 H -0.4923 0.4361 0.4038 0.055 Uiso 1 1 calc R
C41 C -0.6001(9) 0.3969(5) 0.4737(5) 0.059(2) Uani 1 1 d .
H41 H -0.6877 0.4105 0.4540 0.071 Uiso 1 1 calc R
C42 C -0.5882(9) 0.3617(5) 0.5312(5) 0.056(2) Uani 1 1 d .
H42 H -0.6679 0.3504 0.5510 0.067 Uiso 1 1 calc R
C43 C -0.4637(9) 0.3435(5) 0.5592(4) 0.056(2) Uani 1 1 d .
H43 H -0.4571 0.3186 0.5987 0.067 Uiso 1 1 calc R
C44 C -0.3466(9) 0.3595(5) 0.5330(4) 0.0502(18) Uani 1 1 d .
H44 H -0.2590 0.3473 0.5551 0.060 Uiso 1 1 calc R
C45 C -0.1582(7) 0.3189(4) 0.4216(3) 0.0363(13) Uani 1 1 d .
C46 C -0.0161(9) 0.3117(5) 0.4348(5) 0.055(2) Uani 1 1 d .
H46 H 0.0598 0.3546 0.4502 0.066 Uiso 1 1 calc R
C47 C 0.0136(12) 0.2372(6) 0.4243(7) 0.082(3) Uani 1 1 d .
H47 H 0.1097 0.2305 0.4358 0.098 Uiso 1 1 calc R
C48 C -0.0973(14) 0.1760(6) 0.3979(7) 0.084(3) Uani 1 1 d .
H48 H -0.0780 0.1274 0.3884 0.101 Uiso 1 1 calc R
C49 C -0.2333(13) 0.1859(5) 0.3857(6) 0.077(3) Uani 1 1 d .
H49 H -0.3092 0.1434 0.3672 0.093 Uiso 1 1 calc R
C50 C -0.2667(9) 0.2549(5) 0.3989(5) 0.055(2) Uani 1 1 d .
H50 H -0.3642 0.2589 0.3926 0.066 Uiso 1 1 calc R
O1 O 0.2434(4) 0.4492(2) -0.07285(19) 0.0292(8) Uani 1 1 d D
C57 C 0.1872(7) 0.3783(4) -0.1193(3) 0.0395(14) Uani 1 1 d D
H57A H 0.2399 0.3407 -0.1023 0.059 Uiso 1 1 calc R
H57B H 0.1983 0.3847 -0.1661 0.059 Uiso 1 1 calc R
H57C H 0.0853 0.3617 -0.1210 0.059 Uiso 1 1 calc R
Cl3 Cl 0.1300(4) 0.0804(2) 0.2847(2) 0.1138(12) Uani 1 1 d D
Cl4 Cl 0.3425(4) 0.1937(4) 0.3779(2) 0.180(3) Uani 1 1 d D
C51 C 0.2077(18) 0.1768(9) 0.2971(10) 0.172(3) Uani 1 1 d D
H51 H 0.1317 0.2039 0.3063 0.230 Uiso 1 1 calc R
C52 C 0.245(2) 0.2009(9) 0.2359(12) 0.172(3) Uani 1 1 d D
H52 H 0.1653 0.1814 0.1931 0.223 Uiso 1 1 calc R
Cl5 Cl 0.4152(8) 0.1812(3) 0.2243(2) 0.177(3) Uani 1 1 d D
Cl6 Cl 0.2746(7) 0.2980(3) 0.2577(5) 0.195(3) Uani 1 1 d D
Cl9 Cl 0.2809(9) 0.6524(2) 0.2369(2) 0.103(3) Uani 0.50 1 d PD
Cl10 Cl 0.5352(7) 0.7728(3) 0.2685(3) 0.105(2) Uani 0.50 1 d PD
C53 C 0.4230(17) 0.7004(8) 0.2073(8) 0.060(5) Uani 0.50 1 d PD
H53 H 0.4793 0.6644 0.1911 0.072 Uiso 0.50 1 calc PR
C54 C 0.3432(13) 0.7280(6) 0.1480(7) 0.060(5) Uani 0.50 1 d PD
H54 H 0.2847 0.6834 0.1137 0.072 Uiso 0.50 1 calc PR
Cl8 Cl 0.2270(5) 0.7848(3) 0.1675(4) 0.0829(17) Uani 0.50 1 d PD
Cl11 Cl 0.4603(8) 0.7833(2) 0.1039(3) 0.094(2) Uani 0.50 1 d PD
Cl12 Cl -0.0120(7) 0.6768(3) 0.3543(4) 0.112(3) Uani 0.50 1 d PD
Cl13 Cl -0.1192(12) 0.8184(6) 0.4006(4) 0.140(3) Uani 0.50 1 d PD
C55 C 0.017(4) 0.7769(11) 0.3818(19) 0.140(3) Uani 0.50 1 d PD
H55 H 0.1101 0.7967 0.4171 0.174 Uiso 0.50 1 calc PR
C56 C 0.014(4) 0.8073(15) 0.3191(16) 0.140(3) Uani 0.50 1 d PD
H56 H 0.0878 0.7832 0.3029 0.174 Uiso 0.50 1 calc PR
Cl14 Cl -0.1216(10) 0.7780(5) 0.2476(5) 0.135(3) Uani 0.50 1 d PD
Cl15 Cl 0.0779(15) 0.8988(5) 0.3087(7) 0.168(5) Uani 0.50 1 d PD
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'
P P 0.1023 0.0942 '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'
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
N2 Cd1 N1 86.88(15) . .
N2 Cd1 O1 167.15(14) . .
N1 Cd1 O1 80.26(14) . .
N2 Cd1 Cl2 96.48(13) . .
N1 Cd1 Cl2 93.70(13) . .
O1 Cd1 Cl2 84.62(10) . .
N2 Cd1 Cl1 91.67(12) . 2_565
N1 Cd1 Cl1 92.97(13) . 2_565
O1 Cd1 Cl1 88.83(10) . 2_565
Cl2 Cd1 Cl1 169.73(4) . 2_565
N2 Cd1 Cl1 94.76(11) . .
N1 Cd1 Cl1 175.27(13) . .
O1 Cd1 Cl1 98.04(10) . .
Cl2 Cd1 Cl1 90.52(4) . .
Cl1 Cd1 Cl1 82.56(4) 2_565 .
Cd1 Cl1 Cd1 97.44(4) 2_565 .
C5 N1 C1 117.6(5) . .
C5 N1 Cd1 120.9(4) . .
C1 N1 Cd1 120.8(4) . .
N1 C1 C2 122.5(6) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C1 C2 C3 120.1(5) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 116.5(5) . .
C4 C3 C6 123.2(6) . .
C2 C3 C6 120.2(5) . .
C3 C4 C5 120.3(6) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
N1 C5 C4 122.8(6) . .
N1 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
C7 C6 C3 173.8(7) . .
C6 C7 Pt1 176.8(6) . .
C7 Pt1 C7 179.998(1) . 2_655
C7 Pt1 P1 90.52(18) . 2_655
C7 Pt1 P1 89.48(18) 2_655 2_655
C7 Pt1 P1 89.48(18) . .
C7 Pt1 P1 90.52(18) 2_655 .
P1 Pt1 P1 180.0 2_655 .
C8 P1 C20 105.4(3) . .
C8 P1 C14 105.0(3) . .
C20 P1 C14 102.9(3) . .
C8 P1 Pt1 111.4(2) . .
C20 P1 Pt1 114.4(2) . .
C14 P1 Pt1 116.6(2) . .
C13 C8 C9 119.1(7) . .
C13 C8 P1 118.4(5) . .
C9 C8 P1 122.4(6) . .
C10 C9 C8 119.2(10) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C11 C10 C9 122.0(9) . .
C11 C10 H10 119.0 . .
C9 C10 H10 119.0 . .
C10 C11 C12 119.9(9) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.5(10) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C8 119.3(8) . .
C12 C13 H13 120.3 . .
C8 C13 H13 120.3 . .
C15 C14 C19 119.2(6) . .
C15 C14 P1 121.3(5) . .
C19 C14 P1 119.5(6) . .
C14 C15 C16 120.8(7) . .
C14 C15 H15 119.6 . .
C16 C15 H15 119.6 . .
C17 C16 C15 120.8(8) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C18 C17 C16 118.8(7) . .
C18 C17 H17 120.6 . .
C16 C17 H17 120.6 . .
C17 C18 C19 121.2(8) . .
C17 C18 H18 119.4 . .
C19 C18 H18 119.4 . .
C18 C19 C14 119.3(8) . .
C18 C19 H19 120.4 . .
C14 C19 H19 120.4 . .
C21 C20 C25 120.2(7) . .
C21 C20 P1 118.5(6) . .
C25 C20 P1 121.3(6) . .
C20 C21 C22 118.2(9) . .
C20 C21 H21 120.9 . .
C22 C21 H21 120.9 . .
C23 C22 C21 121.2(9) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
C22 C23 C24 120.7(8) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C23 C24 C25 119.9(11) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C20 C25 C24 119.8(10) . .
C20 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C26 N2 C30 117.0(4) . .
C26 N2 Cd1 120.2(3) . .
C30 N2 Cd1 122.7(3) . .
N2 C26 C27 123.8(5) . .
N2 C26 H26 118.1 . .
C27 C26 H26 118.1 . .
C28 C27 C26 119.3(5) . .
C28 C27 H27 120.4 . .
C26 C27 H27 120.4 . .
C29 C28 C27 116.7(5) . .
C29 C28 C31 120.2(5) . .
C27 C28 C31 123.1(5) . .
C30 C29 C28 120.1(5) . .
C30 C29 H29 119.9 . .
C28 C29 H29 119.9 . .
N2 C30 C29 123.2(5) . .
N2 C30 H30 118.4 . .
C29 C30 H30 118.4 . .
C32 C31 C28 173.9(6) . .
C31 C32 Pt2 174.9(5) . .
C32 Pt2 C32 180.0(4) . 2_566
C32 Pt2 P2 93.93(18) . 2_566
C32 Pt2 P2 86.07(18) 2_566 2_566
C32 Pt2 P2 86.07(18) . .
C32 Pt2 P2 93.93(18) 2_566 .
P2 Pt2 P2 180.0 2_566 .
C45 P2 C33 107.0(3) . .
C45 P2 C39 103.0(3) . .
C33 P2 C39 104.1(3) . .
C45 P2 Pt2 112.5(2) . .
C33 P2 Pt2 110.7(2) . .
C39 P2 Pt2 118.6(2) . .
C38 C33 C34 119.8(6) . .
C38 C33 P2 118.1(5) . .
C34 C33 P2 122.1(6) . .
C33 C34 C35 117.5(9) . .
C33 C34 H34 121.2 . .
C35 C34 H34 121.2 . .
C36 C35 C34 123.8(9) . .
C36 C35 H35 118.1 . .
C34 C35 H35 118.1 . .
C35 C36 C37 118.8(7) . .
C35 C36 H36 120.6 . .
C37 C36 H36 120.6 . .
C36 C37 C38 120.8(9) . .
C36 C37 H37 119.6 . .
C38 C37 H37 119.6 . .
C33 C38 C37 119.3(8) . .
C33 C38 H38 120.4 . .
C37 C38 H38 120.4 . .
C40 C39 C44 117.9(6) . .
C40 C39 P2 122.5(5) . .
C44 C39 P2 119.6(5) . .
C39 C40 C41 120.0(7) . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C42 C41 C40 120.1(8) . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C43 C42 C41 119.7(7) . .
C43 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C42 C43 C44 122.0(8) . .
C42 C43 H43 119.0 . .
C44 C43 H43 119.0 . .
C43 C44 C39 120.3(7) . .
C43 C44 H44 119.8 . .
C39 C44 H44 119.8 . .
C46 C45 C50 119.3(7) . .
C46 C45 P2 119.1(6) . .
C50 C45 P2 121.5(5) . .
C45 C46 C47 118.4(9) . .
C45 C46 H46 120.8 . .
C47 C46 H46 120.8 . .
C48 C47 C46 120.1(9) . .
C48 C47 H47 120.0 . .
C46 C47 H47 120.0 . .
C49 C48 C47 119.3(9) . .
C49 C48 H48 120.4 . .
C47 C48 H48 120.4 . .
C48 C49 C50 122.5(10) . .
C48 C49 H49 118.7 . .
C50 C49 H49 118.7 . .
C49 C50 C45 120.1(8) . .
C49 C50 H50 119.9 . .
C45 C50 H50 119.9 . .
C57 O1 Cd1 122.8(4) . .
O1 C57 H57A 109.5 . .
O1 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
O1 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C52 C51 Cl3 113.1(13) . .
C52 C51 Cl4 119.8(15) . .
Cl3 C51 Cl4 105.0(10) . .
C52 C51 H51 106.0 . .
Cl3 C51 H51 106.0 . .
Cl4 C51 H51 106.0 . .
C51 C52 Cl6 101.4(13) . .
C51 C52 Cl5 113.4(17) . .
Cl6 C52 Cl5 105.3(9) . .
C51 C52 H52 112.0 . .
Cl6 C52 H52 112.0 . .
Cl5 C52 H52 112.0 . .
C54 C53 Cl10 111.8(11) . .
C54 C53 Cl9 100.5(10) . .
Cl10 C53 Cl9 113.5(10) . .
C54 C53 H53 110.2 . .
Cl10 C53 H53 110.2 . .
Cl9 C53 H53 110.2 . .
C53 C54 Cl8 115.3(10) . .
C53 C54 Cl11 112.7(11) . .
Cl8 C54 Cl11 105.4(7) . .
C53 C54 H54 107.7 . .
Cl8 C54 H54 107.7 . .
Cl11 C54 H54 107.7 . .
C56 C55 Cl13 93(3) . .
C56 C55 Cl12 104.0(19) . .
Cl13 C55 Cl12 121.2(18) . .
C56 C55 H55 112.0 . .
Cl13 C55 H55 112.0 . .
Cl12 C55 H55 112.0 . .
C55 C56 Cl14 123(2) . .
C55 C56 Cl15 129(2) . .
Cl14 C56 Cl15 101.6(14) . .
C55 C56 H56 98.6 . .
Cl14 C56 H56 98.6 . .
Cl15 C56 H56 98.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N2 2.326(4) .
Cd1 N1 2.369(4) .
Cd1 O1 2.438(4) .
Cd1 Cl2 2.5427(14) .
Cd1 Cl1 2.6095(13) 2_565
Cd1 Cl1 2.6469(11) .
Cl1 Cd1 2.6095(13) 2_565
N1 C5 1.335(8) .
N1 C1 1.336(7) .
C1 C2 1.389(7) .
C1 H1 0.9500 .
C2 C3 1.392(9) .
C2 H2 0.9500 .
C3 C4 1.380(9) .
C3 C6 1.431(7) .
C4 C5 1.385(8) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.204(7) .
C7 Pt1 1.999(5) .
Pt1 C7 1.999(5) 2_655
Pt1 P1 2.3118(16) 2_655
Pt1 P1 2.3118(16) .
P1 C8 1.812(7) .
P1 C20 1.824(6) .
P1 C14 1.834(6) .
C8 C13 1.384(11) .
C8 C9 1.405(10) .
C9 C10 1.386(13) .
C9 H9 0.9500 .
C10 C11 1.318(16) .
C10 H10 0.9500 .
C11 C12 1.394(15) .
C11 H11 0.9500 .
C12 C13 1.384(11) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C15 1.368(10) .
C14 C19 1.401(9) .
C15 C16 1.386(9) .
C15 H15 0.9500 .
C16 C17 1.382(12) .
C16 H16 0.9500 .
C17 C18 1.370(14) .
C17 H17 0.9500 .
C18 C19 1.400(11) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.380(10) .
C20 C25 1.381(11) .
C21 C22 1.417(12) .
C21 H21 0.9500 .
C22 C23 1.347(17) .
C22 H22 0.9500 .
C23 C24 1.357(18) .
C23 H23 0.9500 .
C24 C25 1.407(11) .
C24 H24 0.9500 .
C25 H25 0.9500 .
N2 C26 1.329(7) .
N2 C30 1.331(6) .
C26 C27 1.390(8) .
C26 H26 0.9500 .
C27 C28 1.388(8) .
C27 H27 0.9500 .
C28 C29 1.388(7) .
C28 C31 1.423(7) .
C29 C30 1.385(7) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.220(7) .
C32 Pt2 1.986(5) .
Pt2 C32 1.986(5) 2_566
Pt2 P2 2.3028(16) 2_566
Pt2 P2 2.3028(16) .
P2 C45 1.816(7) .
P2 C33 1.821(5) .
P2 C39 1.823(6) .
C33 C38 1.372(10) .
C33 C34 1.400(10) .
C34 C35 1.401(10) .
C34 H34 0.9500 .
C35 C36 1.308(15) .
C35 H35 0.9500 .
C36 C37 1.381(15) .
C36 H36 0.9500 .
C37 C38 1.399(9) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 C40 1.391(9) .
C39 C44 1.397(9) .
C40 C41 1.395(10) .
C40 H40 0.9500 .
C41 C42 1.372(13) .
C41 H41 0.9500 .
C42 C43 1.339(13) .
C42 H42 0.9500 .
C43 C44 1.360(10) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 C46 1.389(10) .
C45 C50 1.392(11) .
C46 C47 1.446(13) .
C46 H46 0.9500 .
C47 C48 1.377(17) .
C47 H47 0.9500 .
C48 C49 1.347(16) .
C48 H48 0.9500 .
C49 C50 1.373(13) .
C49 H49 0.9500 .
C50 H50 0.9500 .
O1 C57 1.449(7) .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
Cl3 C51 1.761(16) .
Cl4 C51 1.800(17) .
C51 C52 1.442(18) .
C51 H51 1.0000 .
C52 Cl6 1.740(16) .
C52 Cl5 1.823(16) .
C52 H52 1.0000 .
Cl9 C53 1.760(19) .
Cl10 C53 1.728(12) .
C53 C54 1.463(17) .
C53 H53 1.0000 .
C54 Cl8 1.744(12) .
C54 Cl11 1.829(14) .
C54 H54 1.0000 .
Cl12 C55 1.806(19) .
Cl13 C55 1.73(2) .
C55 C56 1.42(2) .
C55 H55 1.0000 .
C56 Cl14 1.682(18) .
C56 Cl15 1.74(2) .
C56 H56 1.0000 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.020 0.000 0.500 291 58 ' '
