#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/57/7035798.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_7035798
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
'2(C100 H76 Br2 Cd N4 P4 Pt2),4(C H Cl3),7(H2O)'
_chemical_formula_sum            'C204 H170 Br4 Cd2 Cl12 N8 O7 P8 Pt4'
_chemical_formula_weight         4843.44
_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                113.2070(10)
_cell_angle_beta                 99.7830(10)
_cell_angle_gamma                101.2470(10)
_cell_formula_units_Z            1
_cell_length_a                   17.6603(4)
_cell_length_b                   19.2398(4)
_cell_length_c                   19.5076(4)
_cell_measurement_reflns_used    9144
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.80
_cell_measurement_theta_min      2.30
_cell_volume                     5746.7(2)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            30582
_diffrn_reflns_theta_full        29.08
_diffrn_reflns_theta_max         29.08
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.547
_exptl_absorpt_correction_T_max  0.7894
_exptl_absorpt_correction_T_min  0.7408
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2378
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.890
_refine_diff_density_min         -1.418
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1174
_refine_ls_number_reflns         30582
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0777P)²+28.0259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
_refine_ls_wR_factor_ref         0.1566
_reflns_number_gt                23687
_reflns_number_total             30582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02404h2.cif
_cod_data_source_block           e2914a
_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               7035798
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 0.74146(2) 0.76540(2) 0.249041(19) 0.02108(9) Uani 1 1 d .
Br1 Br 0.90178(4) 0.84359(4) 0.29044(4) 0.03515(15) Uani 1 1 d .
Br2 Br 0.57906(4) 0.69570(5) 0.20300(5) 0.04433(17) Uani 1 1 d .
Pt1 Pt 0.746321(12) 0.755625(13) -0.254163(10) 0.02058(6) Uani 1 1 d .
P1 P 0.88261(8) 0.77996(9) -0.20833(8) 0.0229(3) Uani 1 1 d .
C1 C 0.9236(3) 0.8162(4) -0.1045(3) 0.0269(12) Uani 1 1 d .
C2 C 0.9601(5) 0.7747(5) -0.0713(4) 0.0465(18) Uani 1 1 d .
H2 H 0.9619 0.7231 -0.1029 0.056 Uiso 1 1 calc R
C3 C 0.9939(6) 0.8094(7) 0.0081(5) 0.065(3) Uani 1 1 d .
H3 H 1.0201 0.7815 0.0305 0.078 Uiso 1 1 calc R
C4 C 0.9905(5) 0.8827(6) 0.0550(4) 0.054(2) Uani 1 1 d .
H4 H 1.0138 0.9053 0.1094 0.065 Uiso 1 1 calc R
C5 C 0.9533(4) 0.9233(5) 0.0233(4) 0.0449(18) Uani 1 1 d .
H5 H 0.9504 0.9742 0.0556 0.054 Uiso 1 1 calc R
C6 C 0.9195(4) 0.8897(4) -0.0568(3) 0.0346(14) Uani 1 1 d .
H6 H 0.8933 0.9180 -0.0786 0.042 Uiso 1 1 calc R
C7 C 0.9005(4) 0.6839(4) -0.2530(3) 0.0345(14) Uani 1 1 d .
C8 C 0.9531(6) 0.6696(5) -0.2976(4) 0.054(2) Uani 1 1 d .
H8 H 0.9847 0.7110 -0.3046 0.065 Uiso 1 1 calc R
C9 C 0.9595(8) 0.5924(7) -0.3329(5) 0.085(4) Uani 1 1 d .
H9 H 0.9946 0.5822 -0.3652 0.102 Uiso 1 1 calc R
C10 C 0.9187(9) 0.5334(7) -0.3229(6) 0.091(4) Uani 1 1 d .
H10 H 0.9259 0.4824 -0.3460 0.109 Uiso 1 1 calc R
C11 C 0.8637(7) 0.5479(5) -0.2768(6) 0.076(3) Uani 1 1 d .
H11 H 0.8335 0.5062 -0.2693 0.091 Uiso 1 1 calc R
C12 C 0.8544(5) 0.6232(5) -0.2430(5) 0.052(2) Uani 1 1 d .
H12 H 0.8168 0.6329 -0.2133 0.063 Uiso 1 1 calc R
C13 C 0.9515(4) 0.8508(4) -0.2254(3) 0.0314(13) Uani 1 1 d .
C14 C 1.0355(4) 0.8639(5) -0.1984(4) 0.0466(19) Uani 1 1 d .
H14 H 1.0544 0.8337 -0.1745 0.056 Uiso 1 1 calc R
C15 C 1.0894(5) 0.9202(6) -0.2069(5) 0.062(3) Uani 1 1 d .
H15 H 1.1455 0.9282 -0.1896 0.075 Uiso 1 1 calc R
C16 C 1.0620(5) 0.9652(5) -0.2405(5) 0.061(3) Uani 1 1 d .
H16 H 1.0993 1.0040 -0.2462 0.074 Uiso 1 1 calc R
C17 C 0.9810(6) 0.9538(5) -0.2657(5) 0.055(2) Uani 1 1 d .
H17 H 0.9630 0.9855 -0.2881 0.066 Uiso 1 1 calc R
C18 C 0.9240(4) 0.8958(4) -0.2589(4) 0.0392(15) Uani 1 1 d .
H18 H 0.8681 0.8879 -0.2769 0.047 Uiso 1 1 calc R
P2 P 0.60930(9) 0.72512(9) -0.29803(8) 0.0242(3) Uani 1 1 d .
C19 C 0.5480(4) 0.6448(4) -0.2860(3) 0.0300(13) Uani 1 1 d .
C20 C 0.5835(4) 0.6020(4) -0.2552(4) 0.0371(15) Uani 1 1 d .
H20 H 0.6403 0.6151 -0.2381 0.045 Uiso 1 1 calc R
C21 C 0.5341(6) 0.5382(5) -0.2496(4) 0.054(2) Uani 1 1 d .
H21 H 0.5579 0.5078 -0.2290 0.065 Uiso 1 1 calc R
C22 C 0.4534(6) 0.5202(5) -0.2732(5) 0.062(3) Uani 1 1 d .
H22 H 0.4208 0.4784 -0.2674 0.074 Uiso 1 1 calc R
C23 C 0.4173(5) 0.5628(5) -0.3062(5) 0.059(3) Uani 1 1 d .
H23 H 0.3605 0.5492 -0.3241 0.071 Uiso 1 1 calc R
C24 C 0.4648(4) 0.6239(5) -0.3122(4) 0.0424(17) Uani 1 1 d .
H24 H 0.4407 0.6527 -0.3347 0.051 Uiso 1 1 calc R
C25 C 0.5816(4) 0.8133(4) -0.2462(3) 0.0348(14) Uani 1 1 d .
C26 C 0.6233(5) 0.8832(5) -0.2443(5) 0.0511(19) Uani 1 1 d .
H26 H 0.6654 0.8832 -0.2688 0.061 Uiso 1 1 calc R
C27 C 0.6045(6) 0.9544(5) -0.2064(6) 0.073(3) Uani 1 1 d .
H27 H 0.6324 1.0020 -0.2063 0.088 Uiso 1 1 calc R
C28 C 0.5447(6) 0.9529(6) -0.1699(6) 0.078(4) Uani 1 1 d .
H28 H 0.5302 0.9998 -0.1452 0.094 Uiso 1 1 calc R
C29 C 0.5051(6) 0.8843(6) -0.1684(5) 0.067(3) Uani 1 1 d .
H29 H 0.4658 0.8850 -0.1406 0.080 Uiso 1 1 calc R
C30 C 0.5228(5) 0.8148(5) -0.2072(4) 0.050(2) Uani 1 1 d .
H30 H 0.4943 0.7675 -0.2073 0.060 Uiso 1 1 calc R
C31 C 0.5653(3) 0.6949(4) -0.4007(3) 0.0296(13) Uani 1 1 d .
C32 C 0.5604(4) 0.6178(4) -0.4527(3) 0.0325(13) Uani 1 1 d .
H32 H 0.5808 0.5845 -0.4340 0.039 Uiso 1 1 calc R
C33 C 0.5261(4) 0.5906(5) -0.5308(4) 0.0428(17) Uani 1 1 d .
H33 H 0.5230 0.5385 -0.5661 0.051 Uiso 1 1 calc R
C34 C 0.4959(5) 0.6393(6) -0.5579(4) 0.052(2) Uani 1 1 d .
H34 H 0.4715 0.6203 -0.6117 0.062 Uiso 1 1 calc R
C35 C 0.5014(6) 0.7137(6) -0.5077(5) 0.063(3) Uani 1 1 d .
H35 H 0.4814 0.7470 -0.5266 0.076 Uiso 1 1 calc R
C36 C 0.5361(5) 0.7422(5) -0.4285(4) 0.0456(18) Uani 1 1 d .
H36 H 0.5394 0.7946 -0.3938 0.055 Uiso 1 1 calc R
C37 C 0.7330(3) 0.7549(4) -0.1548(3) 0.0245(11) Uani 1 1 d .
C38 C 0.7281(4) 0.7525(4) -0.0957(3) 0.0293(13) Uani 1 1 d .
C39 C 0.7296(4) 0.7517(4) -0.0226(3) 0.0279(12) Uani 1 1 d .
C40 C 0.7770(4) 0.8168(4) 0.0462(3) 0.0422(18) Uani 1 1 d .
H40 H 0.8078 0.8622 0.0447 0.051 Uiso 1 1 calc R
C41 C 0.7789(4) 0.8148(4) 0.1163(3) 0.0445(19) Uani 1 1 d .
H41 H 0.8112 0.8598 0.1624 0.053 Uiso 1 1 calc R
N1 N 0.7370(3) 0.7519(3) 0.1226(3) 0.0292(11) Uani 1 1 d .
C42 C 0.6905(4) 0.6908(4) 0.0574(3) 0.0290(13) Uani 1 1 d .
H42 H 0.6593 0.6467 0.0609 0.035 Uiso 1 1 calc R
C43 C 0.6849(4) 0.6878(4) -0.0157(3) 0.0310(13) Uani 1 1 d .
H43 H 0.6510 0.6426 -0.0606 0.037 Uiso 1 1 calc R
C44 C 0.7594(3) 0.7565(4) -0.3534(3) 0.0254(12) Uani 1 1 d .
C45 C 0.7641(4) 0.7593(4) -0.4131(3) 0.0319(13) Uani 1 1 d .
C46 C 0.7624(4) 0.7636(4) -0.4844(3) 0.0309(13) Uani 1 1 d .
C47 C 0.8182(4) 0.8203(4) -0.4914(3) 0.0403(17) Uani 1 1 d .
H47 H 0.8613 0.8574 -0.4478 0.048 Uiso 1 1 calc R
C48 C 0.8107(4) 0.8222(4) -0.5625(3) 0.0364(15) Uani 1 1 d .
H48 H 0.8499 0.8613 -0.5660 0.044 Uiso 1 1 calc R
N2 N 0.7523(3) 0.7730(3) -0.6255(3) 0.0319(12) Uani 1 1 d .
C49 C 0.6998(5) 0.7176(5) -0.6195(4) 0.051(2) Uani 1 1 d .
H49 H 0.6578 0.6811 -0.6644 0.062 Uiso 1 1 calc R
C50 C 0.7024(5) 0.7099(5) -0.5514(4) 0.049(2) Uani 1 1 d .
H50 H 0.6639 0.6685 -0.5506 0.058 Uiso 1 1 calc R
Pt2 Pt 0.749120(13) 0.266932(12) 0.251782(12) 0.02455(6) Uani 1 1 d .
P3 P 0.73168(9) 0.22616(9) 0.12045(8) 0.0241(3) Uani 1 1 d .
C51 C 0.7395(4) 0.1278(4) 0.0636(3) 0.0290(12) Uani 1 1 d .
C52 C 0.8012(4) 0.1165(4) 0.0287(4) 0.0401(15) Uani 1 1 d .
H52 H 0.8414 0.1611 0.0351 0.048 Uiso 1 1 calc R
C53 C 0.8051(6) 0.0426(5) -0.0143(5) 0.055(2) Uani 1 1 d .
H53 H 0.8479 0.0359 -0.0376 0.065 Uiso 1 1 calc R
C54 C 0.7470(5) -0.0230(5) -0.0244(4) 0.0497(19) Uani 1 1 d .
H54 H 0.7498 -0.0745 -0.0549 0.060 Uiso 1 1 calc R
C55 C 0.6853(5) -0.0139(4) 0.0096(4) 0.0486(19) Uani 1 1 d .
H55 H 0.6451 -0.0589 0.0024 0.058 Uiso 1 1 calc R
C56 C 0.6824(5) 0.0619(4) 0.0547(4) 0.0410(16) Uani 1 1 d .
H56 H 0.6407 0.0686 0.0796 0.049 Uiso 1 1 calc R
C57 C 0.8023(4) 0.2901(4) 0.0970(4) 0.0322(13) Uani 1 1 d .
C58 C 0.7816(6) 0.3028(8) 0.0327(6) 0.083(4) Uani 1 1 d .
H58 H 0.7286 0.2787 -0.0007 0.100 Uiso 1 1 calc R
C59 C 0.8379(8) 0.3505(9) 0.0168(8) 0.111(5) Uani 1 1 d .
H59 H 0.8239 0.3559 -0.0297 0.133 Uiso 1 1 calc R
C60 C 0.9119(7) 0.3894(7) 0.0651(8) 0.087(4) Uani 1 1 d .
H60 H 0.9485 0.4251 0.0551 0.104 Uiso 1 1 calc R
C61 C 0.9333(5) 0.3769(5) 0.1285(6) 0.064(3) Uani 1 1 d .
H61 H 0.9862 0.4025 0.1621 0.077 Uiso 1 1 calc R
C62 C 0.8787(4) 0.3270(4) 0.1447(5) 0.0436(17) Uani 1 1 d .
H62 H 0.8946 0.3185 0.1891 0.052 Uiso 1 1 calc R
C63 C 0.6323(4) 0.2247(4) 0.0725(3) 0.0312(13) Uani 1 1 d .
C64 C 0.5931(4) 0.2741(4) 0.1140(4) 0.0391(15) Uani 1 1 d .
H64 H 0.6163 0.3077 0.1678 0.047 Uiso 1 1 calc R
C65 C 0.5197(5) 0.2744(6) 0.0768(5) 0.059(2) Uani 1 1 d .
H65 H 0.4921 0.3082 0.1055 0.071 Uiso 1 1 calc R
C66 C 0.4859(6) 0.2274(7) -0.0002(6) 0.088(4) Uani 1 1 d .
H66 H 0.4345 0.2272 -0.0248 0.105 Uiso 1 1 calc R
C67 C 0.5266(5) 0.1802(7) -0.0423(5) 0.082(4) Uani 1 1 d .
H67 H 0.5044 0.1494 -0.0967 0.099 Uiso 1 1 calc R
C68 C 0.5981(5) 0.1771(5) -0.0073(4) 0.054(2) Uani 1 1 d .
H68 H 0.6249 0.1428 -0.0365 0.064 Uiso 1 1 calc R
P4 P 0.77077(9) 0.30653(9) 0.38377(8) 0.0247(3) Uani 1 1 d .
C69 C 0.8752(4) 0.3161(4) 0.4259(3) 0.0289(12) Uani 1 1 d .
C70 C 0.9235(4) 0.3819(5) 0.4922(4) 0.0455(18) Uani 1 1 d .
H70 H 0.9042 0.4259 0.5155 0.055 Uiso 1 1 calc R
C71 C 1.0005(5) 0.3830(6) 0.5245(5) 0.059(2) Uani 1 1 d .
H71 H 1.0340 0.4280 0.5700 0.070 Uiso 1 1 calc R
C72 C 1.0288(5) 0.3179(6) 0.4903(5) 0.058(2) Uani 1 1 d .
H72 H 1.0810 0.3183 0.5131 0.070 Uiso 1 1 calc R
C73 C 0.9811(4) 0.2537(5) 0.4237(5) 0.0450(17) Uani 1 1 d .
H73 H 1.0005 0.2098 0.4002 0.054 Uiso 1 1 calc R
C74 C 0.9047(4) 0.2529(4) 0.3907(4) 0.0355(14) Uani 1 1 d .
H74 H 0.8724 0.2088 0.3439 0.043 Uiso 1 1 calc R
C75 C 0.7151(4) 0.2367(4) 0.4116(4) 0.0309(13) Uani 1 1 d .
C76 C 0.6365(4) 0.1910(4) 0.3672(4) 0.0382(15) Uani 1 1 d .
H76 H 0.6127 0.1968 0.3230 0.046 Uiso 1 1 calc R
C77 C 0.5931(5) 0.1372(5) 0.3878(5) 0.052(2) Uani 1 1 d .
H77 H 0.5399 0.1064 0.3575 0.062 Uiso 1 1 calc R
C78 C 0.6264(6) 0.1287(6) 0.4506(6) 0.066(3) Uani 1 1 d .
H78 H 0.5964 0.0921 0.4644 0.079 Uiso 1 1 calc R
C79 C 0.7055(7) 0.1738(7) 0.4956(6) 0.071(3) Uani 1 1 d .
H79 H 0.7286 0.1675 0.5397 0.085 Uiso 1 1 calc R
C80 C 0.7500(5) 0.2279(5) 0.4758(5) 0.0488(19) Uani 1 1 d .
H80 H 0.8035 0.2581 0.5058 0.059 Uiso 1 1 calc R
C81 C 0.7543(4) 0.3992(4) 0.4437(3) 0.0303(13) Uani 1 1 d .
C82 C 0.7952(5) 0.4691(4) 0.4439(4) 0.0412(16) Uani 1 1 d .
H82 H 0.8298 0.4682 0.4113 0.049 Uiso 1 1 calc R
C83 C 0.7849(5) 0.5405(4) 0.4925(5) 0.054(2) Uani 1 1 d .
H83 H 0.8133 0.5883 0.4933 0.065 Uiso 1 1 calc R
C84 C 0.7344(5) 0.5429(5) 0.5390(6) 0.060(2) Uani 1 1 d .
H84 H 0.7285 0.5921 0.5721 0.072 Uiso 1 1 calc R
C85 C 0.6922(5) 0.4739(5) 0.5377(5) 0.060(2) Uani 1 1 d .
H85 H 0.6566 0.4755 0.5693 0.072 Uiso 1 1 calc R
C86 C 0.7017(4) 0.4013(4) 0.4896(4) 0.0429(16) Uani 1 1 d .
H86 H 0.6724 0.3537 0.4885 0.051 Uiso 1 1 calc R
C87 C 0.7668(4) 0.3760(4) 0.2600(3) 0.0295(12) Uani 1 1 d .
C88 C 0.7751(4) 0.4377(4) 0.2550(4) 0.0333(14) Uani 1 1 d .
C89 C 0.7743(4) 0.5062(4) 0.2436(4) 0.0323(13) Uani 1 1 d .
C90 C 0.8358(4) 0.5772(4) 0.2851(4) 0.0425(17) Uani 1 1 d .
H90 H 0.8814 0.5804 0.3212 0.051 Uiso 1 1 calc R
C91 C 0.8305(4) 0.6417(4) 0.2740(4) 0.0433(17) Uani 1 1 d .
H91 H 0.8741 0.6886 0.3017 0.052 Uiso 1 1 calc R
N3 N 0.7679(3) 0.6424(3) 0.2266(3) 0.0328(12) Uani 1 1 d .
C92 C 0.7094(4) 0.5743(4) 0.1853(4) 0.0341(14) Uani 1 1 d .
H92 H 0.6646 0.5732 0.1497 0.041 Uiso 1 1 calc R
C93 C 0.7109(4) 0.5064(4) 0.1917(4) 0.0359(14) Uani 1 1 d .
H93 H 0.6683 0.4593 0.1604 0.043 Uiso 1 1 calc R
C94 C 0.7311(4) 0.1588(4) 0.2415(3) 0.0274(12) Uani 1 1 d .
C95 C 0.7213(4) 0.0954(4) 0.2440(4) 0.0319(13) Uani 1 1 d .
C96 C 0.7157(4) 0.0257(3) 0.2547(3) 0.0278(12) Uani 1 1 d .
C97 C 0.7639(4) 0.0256(4) 0.3167(4) 0.0368(15) Uani 1 1 d .
H97 H 0.7998 0.0739 0.3565 0.044 Uiso 1 1 calc R
C98 C 0.7613(4) -0.0440(4) 0.3224(3) 0.0360(15) Uani 1 1 d .
H98 H 0.7968 -0.0421 0.3660 0.043 Uiso 1 1 calc R
N4 N 0.7113(3) -0.1140(3) 0.2695(3) 0.0313(11) Uani 1 1 d .
C99 C 0.6596(4) -0.1140(4) 0.2107(4) 0.0424(18) Uani 1 1 d .
H99 H 0.6205 -0.1623 0.1747 0.051 Uiso 1 1 calc R
C100 C 0.6606(4) -0.0471(4) 0.2000(4) 0.0432(18) Uani 1 1 d .
H100 H 0.6246 -0.0500 0.1561 0.052 Uiso 1 1 calc R
C101 C 0.9413(5) 0.1045(5) 0.5489(5) 0.066(3) Uani 1 1 d D
H101 H 0.9853 0.1039 0.5883 0.079 Uiso 1 1 calc R
Cl1 Cl 0.9377(2) 0.20080(19) 0.5774(2) 0.1024(11) Uani 1 1 d D
Cl2 Cl 0.96189(17) 0.0665(2) 0.45780(16) 0.0872(8) Uani 1 1 d D
Cl3 Cl 0.8503(3) 0.0431(2) 0.54358(19) 0.1186(14) Uani 1 1 d D
C102 C 0.1875(12) 0.8894(15) 0.2450(12) 0.289 Uani 0.50 1 d PD
H102 H 0.2185 0.8622 0.2685 0.346 Uiso 0.50 1 calc PR
Cl4 Cl 0.0906(3) 0.8670(4) 0.2445(4) 0.0955(19) Uani 0.50 1 d PD
Cl5 Cl 0.2214(5) 0.9921(10) 0.2990(6) 0.289 Uani 0.50 1 d PD
Cl6 Cl 0.1991(4) 0.8756(10) 0.1600(5) 0.244(9) Uani 0.50 1 d PD
C103 C 0.0974(12) 0.6476(13) 0.2204(11) 0.067(3) Uani 0.25 1 d PD
H103 H 0.0794 0.6880 0.2072 0.087 Uiso 0.25 1 calc PR
Cl7 Cl 0.0295(7) 0.6057(5) 0.2567(6) 0.067(3) Uani 0.25 1 d PD
Cl8 Cl 0.1080(5) 0.5729(5) 0.1385(5) 0.067(3) Uani 0.25 1 d PD
Cl9 Cl 0.1853(7) 0.6914(11) 0.2950(12) 0.067(3) Uani 0.25 1 d PD
C104 C 0.5233(11) 0.8494(12) 0.3358(12) 0.067 Uani 0.25 1 d PD
H104 H 0.5372 0.8057 0.2960 0.080 Uiso 0.25 1 calc PR
Cl10 Cl 0.5049(6) 0.9187(4) 0.3024(6) 0.073(3) Uani 0.25 1 d PD
Cl11 Cl 0.4355(7) 0.8143(6) 0.3548(5) 0.086(4) Uani 0.25 1 d PD
Cl12 Cl 0.5988(6) 0.8968(4) 0.4216(5) 0.067 Uani 0.25 1 d PD
O1 O 0.4975(6) 0.4662(5) 0.0510(4) 0.161(6) Uani 1 1 d .
O2 O 0.6574(6) 0.4532(7) 0.9809(4) 0.159(6) Uani 1 1 d .
O3 O 0.5932(5) 0.3693(5) 0.7630(6) 0.037(2) Uani 0.50 1 d P
O4 O 0.3003(6) 0.6292(8) 0.3297(6) 0.145(5) Uani 1 1 d .
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'
Br Br -0.2901 2.4595 '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
N1 Cd1 N2 175.83(19) . 1_556
N1 Cd1 N4 84.43(18) . 1_565
N2 Cd1 N4 99.30(19) 1_556 1_565
N1 Cd1 N3 95.23(18) . .
N2 Cd1 N3 81.08(19) 1_556 .
N4 Cd1 N3 178.39(17) 1_565 .
N1 Cd1 Br2 89.87(13) . .
N2 Cd1 Br2 92.18(13) 1_556 .
N4 Cd1 Br2 86.82(13) 1_565 .
N3 Cd1 Br2 91.61(13) . .
N1 Cd1 Br1 87.33(13) . .
N2 Cd1 Br1 90.85(13) 1_556 .
N4 Cd1 Br1 89.25(13) 1_565 .
N3 Cd1 Br1 92.31(13) . .
Br2 Cd1 Br1 175.37(3) . .
C44 Pt1 C37 179.8(3) . .
C44 Pt1 P2 91.01(17) . .
C37 Pt1 P2 88.88(16) . .
C44 Pt1 P1 91.12(17) . .
C37 Pt1 P1 89.00(16) . .
P2 Pt1 P1 176.59(5) . .
C13 P1 C1 100.1(3) . .
C13 P1 C7 108.7(3) . .
C1 P1 C7 105.6(3) . .
C13 P1 Pt1 119.4(2) . .
C1 P1 Pt1 117.41(19) . .
C7 P1 Pt1 104.8(2) . .
C6 C1 C2 118.8(6) . .
C6 C1 P1 117.4(5) . .
C2 C1 P1 123.7(5) . .
C3 C2 C1 119.4(8) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C4 C3 C2 121.4(8) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C5 C4 C3 119.7(7) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 119.8(7) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C1 C6 C5 120.8(7) . .
C1 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C8 C7 C12 120.5(7) . .
C8 C7 P1 123.2(6) . .
C12 C7 P1 116.2(6) . .
C7 C8 C9 118.8(9) . .
C7 C8 H8 120.6 . .
C9 C8 H8 120.6 . .
C10 C9 C8 122.8(10) . .
C10 C9 H9 118.6 . .
C8 C9 H9 118.6 . .
C9 C10 C11 118.7(9) . .
C9 C10 H10 120.7 . .
C11 C10 H10 120.7 . .
C12 C11 C10 119.9(10) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.1 . .
C7 C12 C11 119.3(9) . .
C7 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C18 C13 C14 119.9(6) . .
C18 C13 P1 121.2(5) . .
C14 C13 P1 118.8(6) . .
C15 C14 C13 120.2(9) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C14 C15 C16 120.0(8) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C17 C16 C15 120.2(7) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 121.2(8) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C13 C18 C17 118.4(7) . .
C13 C18 H18 120.8 . .
C17 C18 H18 120.8 . .
C25 P2 C31 105.7(3) . .
C25 P2 C19 107.2(3) . .
C31 P2 C19 100.2(3) . .
C25 P2 Pt1 107.0(2) . .
C31 P2 Pt1 118.1(2) . .
C19 P2 Pt1 117.6(2) . .
C20 C19 C24 119.8(6) . .
C20 C19 P2 120.5(5) . .
C24 C19 P2 119.6(6) . .
C19 C20 C21 119.0(7) . .
C19 C20 H20 120.5 . .
C21 C20 H20 120.5 . .
C22 C21 C20 120.4(9) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C21 C22 C23 120.5(7) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C24 C23 C22 119.1(8) . .
C24 C23 H23 120.4 . .
C22 C23 H23 120.4 . .
C23 C24 C19 121.2(8) . .
C23 C24 H24 119.4 . .
C19 C24 H24 119.4 . .
C26 C25 C30 118.7(7) . .
C26 C25 P2 117.5(5) . .
C30 C25 P2 123.8(6) . .
C25 C26 C27 121.2(8) . .
C25 C26 H26 119.4 . .
C27 C26 H26 119.4 . .
C28 C27 C26 118.1(10) . .
C28 C27 H27 121.0 . .
C26 C27 H27 121.0 . .
C27 C28 C29 121.3(9) . .
C27 C28 H28 119.4 . .
C29 C28 H28 119.4 . .
C30 C29 C28 119.9(9) . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C25 120.7(9) . .
C29 C30 H30 119.6 . .
C25 C30 H30 119.6 . .
C36 C31 C32 119.4(5) . .
C36 C31 P2 123.7(5) . .
C32 C31 P2 117.0(5) . .
C33 C32 C31 119.9(6) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 119.9(7) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C35 C34 C33 119.9(6) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.8(8) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C31 C36 C35 120.0(7) . .
C31 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C38 C37 Pt1 176.7(6) . .
C37 C38 C39 175.0(6) . .
C43 C39 C40 116.8(5) . .
C43 C39 C38 122.8(5) . .
C40 C39 C38 120.4(6) . .
C41 C40 C39 119.9(6) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
N1 C41 C40 123.1(6) . .
N1 C41 H41 118.5 . .
C40 C41 H41 118.5 . .
C42 N1 C41 117.2(5) . .
C42 N1 Cd1 125.2(4) . .
C41 N1 Cd1 117.2(4) . .
N1 C42 C43 123.5(5) . .
N1 C42 H42 118.3 . .
C43 C42 H42 118.3 . .
C42 C43 C39 119.6(5) . .
C42 C43 H43 120.2 . .
C39 C43 H43 120.2 . .
C45 C44 Pt1 176.4(6) . .
C44 C45 C46 174.6(7) . .
C47 C46 C50 116.8(5) . .
C47 C46 C45 123.0(6) . .
C50 C46 C45 120.2(6) . .
C46 C47 C48 119.5(6) . .
C46 C47 H47 120.3 . .
C48 C47 H47 120.3 . .
N2 C48 C47 123.9(6) . .
N2 C48 H48 118.1 . .
C47 C48 H48 118.1 . .
C48 N2 C49 116.8(5) . .
C48 N2 Cd1 125.9(4) . 1_554
C49 N2 Cd1 116.9(4) . 1_554
N2 C49 C50 123.9(6) . .
N2 C49 H49 118.1 . .
C50 C49 H49 118.1 . .
C49 C50 C46 119.1(6) . .
C49 C50 H50 120.4 . .
C46 C50 H50 120.4 . .
C94 Pt2 C87 178.9(2) . .
C94 Pt2 P3 93.04(17) . .
C87 Pt2 P3 85.83(17) . .
C94 Pt2 P4 86.19(17) . .
C87 Pt2 P4 94.94(17) . .
P3 Pt2 P4 177.97(5) . .
C57 P3 C51 103.6(3) . .
C57 P3 C63 104.9(3) . .
C51 P3 C63 104.1(3) . .
C57 P3 Pt2 114.0(2) . .
C51 P3 Pt2 117.4(2) . .
C63 P3 Pt2 111.6(2) . .
C56 C51 C52 118.6(6) . .
C56 C51 P3 119.5(5) . .
C52 C51 P3 122.0(5) . .
C53 C52 C51 120.9(7) . .
C53 C52 H52 119.5 . .
C51 C52 H52 119.5 . .
C52 C53 C54 120.3(7) . .
C52 C53 H53 119.8 . .
C54 C53 H53 119.8 . .
C55 C54 C53 120.2(7) . .
C55 C54 H54 119.9 . .
C53 C54 H54 119.9 . .
C54 C55 C56 119.2(7) . .
C54 C55 H55 120.4 . .
C56 C55 H55 120.4 . .
C51 C56 C55 120.7(7) . .
C51 C56 H56 119.6 . .
C55 C56 H56 119.6 . .
C62 C57 C58 118.4(7) . .
C62 C57 P3 119.3(5) . .
C58 C57 P3 122.3(6) . .
C57 C58 C59 119.9(10) . .
C57 C58 H58 120.0 . .
C59 C58 H58 120.0 . .
C60 C59 C58 121.9(10) . .
C60 C59 H59 119.1 . .
C58 C59 H59 119.1 . .
C59 C60 C61 118.7(9) . .
C59 C60 H60 120.7 . .
C61 C60 H60 120.7 . .
C60 C61 C62 120.7(9) . .
C60 C61 H61 119.7 . .
C62 C61 H61 119.7 . .
C57 C62 C61 120.3(8) . .
C57 C62 H62 119.9 . .
C61 C62 H62 119.9 . .
C64 C63 C68 119.6(6) . .
C64 C63 P3 119.7(5) . .
C68 C63 P3 120.6(5) . .
C63 C64 C65 119.2(7) . .
C63 C64 H64 120.4 . .
C65 C64 H64 120.4 . .
C66 C65 C64 121.2(8) . .
C66 C65 H65 119.4 . .
C64 C65 H65 119.4 . .
C65 C66 C67 119.5(8) . .
C65 C66 H66 120.3 . .
C67 C66 H66 120.3 . .
C68 C67 C66 120.8(8) . .
C68 C67 H67 119.6 . .
C66 C67 H67 119.6 . .
C67 C68 C63 119.6(7) . .
C67 C68 H68 120.2 . .
C63 C68 H68 120.2 . .
C81 P4 C75 103.1(3) . .
C81 P4 C69 105.1(3) . .
C75 P4 C69 102.8(3) . .
C81 P4 Pt2 119.3(2) . .
C75 P4 Pt2 115.9(2) . .
C69 P4 Pt2 109.0(2) . .
C70 C69 C74 119.9(6) . .
C70 C69 P4 122.4(5) . .
C74 C69 P4 117.6(5) . .
C69 C70 C71 119.5(7) . .
C69 C70 H70 120.3 . .
C71 C70 H70 120.3 . .
C70 C71 C72 120.2(8) . .
C70 C71 H71 119.9 . .
C72 C71 H71 119.9 . .
C73 C72 C71 119.8(7) . .
C73 C72 H72 120.1 . .
C71 C72 H72 120.1 . .
C72 C73 C74 120.1(8) . .
C72 C73 H73 119.9 . .
C74 C73 H73 119.9 . .
C73 C74 C69 120.3(7) . .
C73 C74 H74 119.8 . .
C69 C74 H74 119.8 . .
C80 C75 C76 119.9(6) . .
C80 C75 P4 120.5(5) . .
C76 C75 P4 119.6(5) . .
C77 C76 C75 120.2(7) . .
C77 C76 H76 119.9 . .
C75 C76 H76 119.9 . .
C78 C77 C76 120.3(8) . .
C78 C77 H77 119.8 . .
C76 C77 H77 119.8 . .
C77 C78 C79 120.3(8) . .
C77 C78 H78 119.9 . .
C79 C78 H78 119.9 . .
C80 C79 C78 120.3(8) . .
C80 C79 H79 119.9 . .
C78 C79 H79 119.9 . .
C75 C80 C79 119.0(8) . .
C75 C80 H80 120.5 . .
C79 C80 H80 120.5 . .
C86 C81 C82 119.6(6) . .
C86 C81 P4 120.9(5) . .
C82 C81 P4 119.6(5) . .
C81 C82 C83 119.3(7) . .
C81 C82 H82 120.4 . .
C83 C82 H82 120.4 . .
C84 C83 C82 121.2(8) . .
C84 C83 H83 119.4 . .
C82 C83 H83 119.4 . .
C83 C84 C85 119.9(8) . .
C83 C84 H84 120.0 . .
C85 C84 H84 120.0 . .
C84 C85 C86 120.1(8) . .
C84 C85 H85 120.0 . .
C86 C85 H85 120.0 . .
C81 C86 C85 119.9(7) . .
C81 C86 H86 120.1 . .
C85 C86 H86 120.1 . .
C88 C87 Pt2 171.9(5) . .
C87 C88 C89 172.7(7) . .
C93 C89 C90 116.2(6) . .
C93 C89 C88 121.1(6) . .
C90 C89 C88 122.7(6) . .
C91 C90 C89 120.2(6) . .
C91 C90 H90 119.9 . .
C89 C90 H90 119.9 . .
N3 C91 C90 123.3(6) . .
N3 C91 H91 118.4 . .
C90 C91 H91 118.4 . .
C91 N3 C92 117.1(6) . .
C91 N3 Cd1 118.9(4) . .
C92 N3 Cd1 120.5(4) . .
N3 C92 C93 123.2(6) . .
N3 C92 H92 118.4 . .
C93 C92 H92 118.4 . .
C92 C93 C89 120.0(6) . .
C92 C93 H93 120.0 . .
C89 C93 H93 120.0 . .
C95 C94 Pt2 172.8(5) . .
C94 C95 C96 174.0(7) . .
C97 C96 C100 116.9(5) . .
C97 C96 C95 122.0(6) . .
C100 C96 C95 121.1(6) . .
C96 C97 C98 120.6(6) . .
C96 C97 H97 119.7 . .
C98 C97 H97 119.7 . .
N4 C98 C97 123.1(6) . .
N4 C98 H98 118.4 . .
C97 C98 H98 118.4 . .
C98 N4 C99 116.9(5) . .
C98 N4 Cd1 122.0(4) . 1_545
C99 N4 Cd1 117.0(4) . 1_545
N4 C99 C100 122.9(6) . .
N4 C99 H99 118.6 . .
C100 C99 H99 118.6 . .
C99 C100 C96 119.4(6) . .
C99 C100 H100 120.3 . .
C96 C100 H100 120.3 . .
Cl1 C101 Cl3 111.0(6) . .
Cl1 C101 Cl2 111.1(5) . .
Cl3 C101 Cl2 109.1(4) . .
Cl1 C101 H101 108.5 . .
Cl3 C101 H101 108.5 . .
Cl2 C101 H101 108.5 . .
Cl6 C102 Cl4 112.7(13) . .
Cl6 C102 Cl5 103.5(14) . .
Cl4 C102 Cl5 103.5(13) . .
Cl6 C102 H102 112.2 . .
Cl4 C102 H102 112.2 . .
Cl5 C102 H102 112.2 . .
Cl7 C103 Cl9 104.2(14) . .
Cl7 C103 Cl8 108.7(11) . .
Cl9 C103 Cl8 111.6(13) . .
Cl7 C103 H103 110.7 . .
Cl9 C103 H103 110.7 . .
Cl8 C103 H103 110.7 . .
Cl12 C104 Cl11 108.4(11) . .
Cl12 C104 Cl10 109.3(12) . .
Cl11 C104 Cl10 105.2(11) . .
Cl12 C104 H104 111.2 . .
Cl11 C104 H104 111.2 . .
Cl10 C104 H104 111.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.363(4) .
Cd1 N2 2.365(4) 1_556
Cd1 N4 2.378(5) 1_565
Cd1 N3 2.386(5) .
Cd1 Br2 2.7396(8) .
Cd1 Br1 2.7451(7) .
Pt1 C44 1.994(5) .
Pt1 C37 1.997(5) .
Pt1 P2 2.2976(14) .
Pt1 P1 2.3045(14) .
P1 C13 1.816(6) .
P1 C1 1.817(5) .
P1 C7 1.823(7) .
C1 C6 1.379(9) .
C1 C2 1.392(9) .
C2 C3 1.386(10) .
C2 H2 0.9500 .
C3 C4 1.366(13) .
C3 H3 0.9500 .
C4 C5 1.366(12) .
C4 H4 0.9500 .
C5 C6 1.397(9) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.372(10) .
C7 C12 1.390(11) .
C8 C9 1.407(13) .
C8 H8 0.9500 .
C9 C10 1.321(17) .
C9 H9 0.9500 .
C10 C11 1.427(17) .
C10 H10 0.9500 .
C11 C12 1.392(12) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.384(10) .
C13 C14 1.422(10) .
C14 C15 1.378(11) .
C14 H14 0.9500 .
C15 C16 1.385(14) .
C15 H15 0.9500 .
C16 C17 1.375(13) .
C16 H16 0.9500 .
C17 C18 1.415(9) .
C17 H17 0.9500 .
C18 H18 0.9500 .
P2 C25 1.811(7) .
P2 C31 1.825(5) .
P2 C19 1.827(6) .
C19 C20 1.376(10) .
C19 C24 1.390(9) .
C20 C21 1.415(10) .
C20 H20 0.9500 .
C21 C22 1.351(13) .
C21 H21 0.9500 .
C22 C23 1.404(14) .
C22 H22 0.9500 .
C23 C24 1.363(11) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.385(10) .
C25 C30 1.385(9) .
C26 C27 1.413(12) .
C26 H26 0.9500 .
C27 C28 1.373(15) .
C27 H27 0.9500 .
C28 C29 1.381(16) .
C28 H28 0.9500 .
C29 C30 1.380(12) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C36 1.366(10) .
C31 C32 1.403(9) .
C32 C33 1.377(8) .
C32 H32 0.9500 .
C33 C34 1.390(12) .
C33 H33 0.9500 .
C34 C35 1.352(13) .
C34 H34 0.9500 .
C35 C36 1.394(10) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.188(7) .
C38 C39 1.428(7) .
C39 C43 1.393(8) .
C39 C40 1.398(8) .
C40 C41 1.376(8) .
C40 H40 0.9500 .
C41 N1 1.351(8) .
C41 H41 0.9500 .
N1 C42 1.329(7) .
C42 C43 1.390(7) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 C45 1.203(7) .
C45 C46 1.422(7) .
C46 C47 1.385(8) .
C46 C50 1.391(9) .
C47 C48 1.387(8) .
C47 H47 0.9500 .
C48 N2 1.319(8) .
C48 H48 0.9500 .
N2 C49 1.328(8) .
N2 Cd1 2.365(4) 1_554
C49 C50 1.387(8) .
C49 H49 0.9500 .
C50 H50 0.9500 .
Pt2 C94 1.964(6) .
Pt2 C87 1.997(6) .
Pt2 P3 2.3082(14) .
Pt2 P4 2.3155(14) .
P3 C57 1.821(6) .
P3 C51 1.825(6) .
P3 C63 1.833(6) .
C51 C56 1.386(9) .
C51 C52 1.388(9) .
C52 C53 1.361(11) .
C52 H52 0.9500 .
C53 C54 1.384(12) .
C53 H53 0.9500 .
C54 C55 1.373(11) .
C54 H54 0.9500 .
C55 C56 1.393(10) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 C62 1.369(9) .
C57 C58 1.372(10) .
C58 C59 1.379(14) .
C58 H58 0.9500 .
C59 C60 1.340(17) .
C59 H59 0.9500 .
C60 C61 1.358(15) .
C60 H60 0.9500 .
C61 C62 1.390(11) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 C64 1.370(9) .
C63 C68 1.403(9) .
C64 C65 1.377(10) .
C64 H64 0.9500 .
C65 C66 1.359(12) .
C65 H65 0.9500 .
C66 C67 1.372(13) .
C66 H66 0.9500 .
C67 C68 1.354(11) .
C67 H67 0.9500 .
C68 H68 0.9500 .
P4 C81 1.818(6) .
P4 C75 1.818(6) .
P4 C69 1.828(6) .
C69 C70 1.384(9) .
C69 C74 1.392(9) .
C70 C71 1.391(10) .
C70 H70 0.9500 .
C71 C72 1.401(13) .
C71 H71 0.9500 .
C72 C73 1.370(12) .
C72 H72 0.9500 .
C73 C74 1.387(10) .
C73 H73 0.9500 .
C74 H74 0.9500 .
C75 C80 1.388(9) .
C75 C76 1.401(9) .
C76 C77 1.393(10) .
C76 H76 0.9500 .
C77 C78 1.352(13) .
C77 H77 0.9500 .
C78 C79 1.409(14) .
C78 H78 0.9500 .
C79 C80 1.397(11) .
C79 H79 0.9500 .
C80 H80 0.9500 .
C81 C86 1.391(9) .
C81 C82 1.396(9) .
C82 C83 1.397(10) .
C82 H82 0.9500 .
C83 C84 1.369(13) .
C83 H83 0.9500 .
C84 C85 1.379(13) .
C84 H84 0.9500 .
C85 C86 1.404(11) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C87 C88 1.213(8) .
C88 C89 1.422(9) .
C89 C93 1.378(9) .
C89 C90 1.397(9) .
C90 C91 1.357(9) .
C90 H90 0.9500 .
C91 N3 1.322(9) .
C91 H91 0.9500 .
N3 C92 1.338(8) .
C92 C93 1.366(9) .
C92 H92 0.9500 .
C93 H93 0.9500 .
C94 C95 1.220(9) .
C95 C96 1.424(8) .
C96 C97 1.356(9) .
C96 C100 1.409(9) .
C97 C98 1.379(9) .
C97 H97 0.9500 .
C98 N4 1.338(8) .
C98 H98 0.9500 .
N4 C99 1.339(8) .
N4 Cd1 2.378(5) 1_545
C99 C100 1.382(9) .
C99 H99 0.9500 .
C100 H100 0.9500 .
C101 Cl1 1.730(9) .
C101 Cl3 1.759(9) .
C101 Cl2 1.768(9) .
C101 H101 1.0000 .
C102 Cl6 1.628(18) .
C102 Cl4 1.678(17) .
C102 Cl5 1.75(2) .
C102 H102 1.0000 .
C103 Cl7 1.718(16) .
C103 Cl9 1.731(18) .
C103 Cl8 1.746(17) .
C103 H103 1.0000 .
C104 Cl12 1.724(18) .
C104 Cl11 1.729(17) .
C104 Cl10 1.757(17) .
C104 H104 1.0000 .
