#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:23:00 +0100 (vie 25 de mar de 2016) $
#$Revision: 179720 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/22/7002224.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_7002224
loop_
_publ_author_name
'De Pascali, Sandra A.'
'Papadia, Paride'
'Capoccia, Serena'
'Marchiò, Luciano'
'Lanfranchi, Maurizio'
'Ciccarese, Antonella'
'Fanizzi, Francesco P.'
_publ_section_title
;
 Hard/soft selectivity in ligand substitution reactions of
 β-diketonate platinum(II) complexes
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7786
_journal_page_last               7795
_journal_paper_doi               10.1039/b909209a
_journal_year                    2009
_chemical_formula_moiety         'C23 H22 Cl O2 P Pt'
_chemical_formula_sum            'C23 H22 Cl O2 P Pt'
_chemical_formula_weight         591.92
_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
_cell_angle_alpha                101.68(1)
_cell_angle_beta                 100.25(1)
_cell_angle_gamma                106.83(2)
_cell_formula_units_Z            4
_cell_length_a                   9.948(1)
_cell_length_b                   12.738(2)
_cell_length_c                   18.411(2)
_cell_measurement_reflns_used    10944
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.17
_cell_volume                     2116.0(6)
_computing_cell_refinement       saint
_computing_data_collection       smart
_computing_data_reduction        saint
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    sir97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart 1000 CCD'
_diffrn_measurement_method       'theta & omega scan'
_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  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23015
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.17
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    6.849
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.109
_refine_diff_density_min         -0.951
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     508
_refine_ls_number_reflns         8301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.937
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0010P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0449
_refine_ls_wR_factor_ref         0.0478
_reflns_number_gt                5795
_reflns_number_total             8301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b909209a.txt
_cod_data_source_block           ptp1t
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2116.0(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7002224
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.41621(2) 0.705183(18) 0.402076(13) 0.03746(7) Uani 1 1 d . . .
Pt2 Pt 0.57162(2) 0.315519(17) 0.087611(12) 0.03323(7) Uani 1 1 d . . .
Cl1 Cl 0.32975(16) 0.73988(16) 0.28987(10) 0.0712(5) Uani 1 1 d . . .
Cl2 Cl 0.63499(15) 0.29050(13) 0.20685(9) 0.0521(4) Uani 1 1 d . . .
P1 P 0.63855(15) 0.83090(12) 0.42548(9) 0.0350(4) Uani 1 1 d . . .
P2 P 0.34799(14) 0.19109(11) 0.06371(8) 0.0310(3) Uani 1 1 d . . .
O11 O 0.4835(4) 0.6687(3) 0.5001(2) 0.0526(11) Uani 1 1 d . . .
O21 O 0.2147(4) 0.5848(3) 0.3805(2) 0.0485(11) Uani 1 1 d . . .
O25 O 0.7742(4) 0.4373(3) 0.1150(2) 0.0435(10) Uani 1 1 d . . .
C11 C 0.4051(7) 0.5976(5) 0.5291(4) 0.0482(16) Uani 1 1 d . . .
C22 C 0.7067(6) 0.6612(5) 0.3313(3) 0.0491(16) Uani 1 1 d . . .
H22 H 0.6110 0.6159 0.3246 0.059 Uiso 1 1 calc R . .
C25 C 0.7475(7) 0.4858(5) -0.0034(4) 0.0527(17) Uani 1 1 d . . .
H25 H 0.7952 0.5349 -0.0289 0.063 Uiso 1 1 calc R . .
C37 C 0.4226(6) -0.0879(5) 0.1098(3) 0.0453(15) Uani 1 1 d . . .
H37 H 0.4945 -0.1206 0.1070 0.054 Uiso 1 1 calc R . .
O15 O 0.5258(4) 0.3396(3) -0.0172(2) 0.0426(10) Uani 1 1 d . . .
C26 C 0.2798(6) 0.3269(5) 0.1794(3) 0.0477(15) Uani 1 1 d . . .
H26 H 0.3749 0.3425 0.2064 0.057 Uiso 1 1 calc R . .
C41 C 0.4833(7) 0.5940(5) 0.6059(3) 0.067(2) Uani 1 1 d . . .
H51A H 0.5799 0.6482 0.6205 0.100 Uiso 1 1 calc R . .
H51B H 0.4878 0.5190 0.6027 0.100 Uiso 1 1 calc R . .
H51C H 0.4321 0.6125 0.6434 0.100 Uiso 1 1 calc R . .
C31 C 0.1775(6) 0.5222(5) 0.4256(4) 0.0502(16) Uani 1 1 d . . .
C45 C 0.5441(7) 0.4118(5) -0.1224(3) 0.068(2) Uani 1 1 d . . .
H55A H 0.4988 0.3346 -0.1535 0.102 Uiso 1 1 calc R . .
H55B H 0.6181 0.4518 -0.1436 0.102 Uiso 1 1 calc R . .
H55C H 0.4725 0.4486 -0.1211 0.102 Uiso 1 1 calc R . .
C68 C 0.2367(5) 0.2105(5) -0.0808(3) 0.0429(14) Uani 1 1 d . . .
H68 H 0.2546 0.2863 -0.0560 0.051 Uiso 1 1 calc R . .
C21 C 0.2634(7) 0.5268(5) 0.4947(4) 0.0535(17) Uani 1 1 d . . .
H21 H 0.2213 0.4766 0.5212 0.064 Uiso 1 1 calc R . .
C18 C 0.2601(5) 0.1354(4) -0.0374(3) 0.0321(13) Uani 1 1 d . . .
C17 C 0.3332(5) 0.0642(4) 0.0967(3) 0.0301(12) Uani 1 1 d . . .
C27 C 0.4406(5) 0.0162(4) 0.0935(3) 0.0389(13) Uani 1 1 d . . .
H27 H 0.5245 0.0533 0.0805 0.047 Uiso 1 1 calc R . .
C35 C 0.8224(6) 0.4951(5) 0.0700(4) 0.0480(16) Uani 1 1 d . . .
C36 C 0.1911(7) 0.3759(6) 0.2134(4) 0.0636(19) Uani 1 1 d . . .
H36 H 0.2276 0.4266 0.2621 0.076 Uiso 1 1 calc R . .
C51 C 0.0243(6) 0.4391(5) 0.3957(4) 0.071(2) Uani 1 1 d . . .
H41A H -0.0415 0.4797 0.3857 0.106 Uiso 1 1 calc R . .
H41B H -0.0001 0.3994 0.4332 0.106 Uiso 1 1 calc R . .
H41C H 0.0171 0.3854 0.3491 0.106 Uiso 1 1 calc R . .
C16 C 0.2293(6) 0.2557(4) 0.1064(3) 0.0360(13) Uani 1 1 d . . .
C14 C 0.7259(6) 0.8617(4) 0.5269(3) 0.0398(14) Uani 1 1 d . . .
C48 C 0.1570(6) 0.0601(6) -0.1968(4) 0.0557(17) Uani 1 1 d . . .
H48 H 0.1244 0.0352 -0.2500 0.067 Uiso 1 1 calc R . .
C55 C 0.9710(6) 0.5811(5) 0.1042(4) 0.0619(19) Uani 1 1 d . . .
H45A H 0.9685 0.6380 0.1465 0.093 Uiso 1 1 calc R . .
H45B H 1.0032 0.6166 0.0661 0.093 Uiso 1 1 calc R . .
H45C H 1.0367 0.5441 0.1219 0.093 Uiso 1 1 calc R . .
C28 C 0.2249(5) 0.0216(5) -0.0754(3) 0.0400(14) Uani 1 1 d . . .
H28 H 0.2348 -0.0301 -0.0475 0.048 Uiso 1 1 calc R . .
C67 C 0.2098(5) 0.0089(5) 0.1165(3) 0.0406(14) Uani 1 1 d . . .
H67 H 0.1363 0.0402 0.1173 0.049 Uiso 1 1 calc R . .
C38 C 0.1742(5) -0.0164(5) -0.1558(3) 0.0505(16) Uani 1 1 d . . .
H38 H 0.1525 -0.0926 -0.1811 0.061 Uiso 1 1 calc R . .
C24 C 0.8422(6) 0.8297(5) 0.5532(3) 0.0483(15) Uani 1 1 d . . .
H24 H 0.8872 0.7988 0.5186 0.058 Uiso 1 1 calc R . .
C58 C 0.1874(6) 0.1731(6) -0.1602(4) 0.0492(16) Uani 1 1 d . . .
H58 H 0.1749 0.2240 -0.1884 0.059 Uiso 1 1 calc R . .
C64 C 0.6609(6) 0.9081(5) 0.5806(3) 0.0480(15) Uani 1 1 d . . .
H64 H 0.5817 0.9297 0.5637 0.058 Uiso 1 1 calc R . .
C12 C 0.7547(5) 0.7744(4) 0.3744(3) 0.0344(13) Uani 1 1 d . . .
C42 C 0.9385(7) 0.6818(6) 0.3086(4) 0.0571(18) Uani 1 1 d . . .
H42 H 1.0017 0.6501 0.2885 0.069 Uiso 1 1 calc R . .
C54 C 0.7115(6) 0.9226(6) 0.6572(4) 0.0583(18) Uani 1 1 d . . .
H54 H 0.6686 0.9556 0.6921 0.070 Uiso 1 1 calc R . .
C66 C 0.0845(6) 0.2294(5) 0.0675(3) 0.0446(14) Uani 1 1 d . . .
H66 H 0.0472 0.1796 0.0185 0.054 Uiso 1 1 calc R . .
C34 C 0.8932(7) 0.8432(6) 0.6312(4) 0.0608(18) Uani 1 1 d . . .
H34 H 0.9725 0.8219 0.6484 0.073 Uiso 1 1 calc R . .
C44 C 0.8264(7) 0.8880(6) 0.6827(4) 0.0612(19) Uani 1 1 d . . .
H44 H 0.8587 0.8951 0.7346 0.073 Uiso 1 1 calc R . .
C62 C 0.8962(6) 0.8414(5) 0.3808(3) 0.0486(15) Uani 1 1 d . . .
H62 H 0.9293 0.9182 0.4071 0.058 Uiso 1 1 calc R . .
C52 C 0.9881(6) 0.7952(6) 0.3484(3) 0.0543(17) Uani 1 1 d . . .
H52 H 1.0830 0.8403 0.3534 0.065 Uiso 1 1 calc R . .
C47 C 0.3006(6) -0.1437(5) 0.1301(3) 0.0479(16) Uani 1 1 d . . .
H47 H 0.2892 -0.2140 0.1401 0.057 Uiso 1 1 calc R . .
C46 C 0.0474(7) 0.3486(6) 0.1744(4) 0.0587(19) Uani 1 1 d . . .
H46 H -0.0140 0.3786 0.1976 0.070 Uiso 1 1 calc R . .
C56 C -0.0027(6) 0.2787(5) 0.1031(4) 0.0554(17) Uani 1 1 d . . .
H56 H -0.0983 0.2629 0.0769 0.066 Uiso 1 1 calc R . .
C32 C 0.7976(7) 0.6150(5) 0.2983(4) 0.0577(18) Uani 1 1 d . . .
H32 H 0.7639 0.5393 0.2695 0.069 Uiso 1 1 calc R . .
C15 C 0.6106(7) 0.4125(5) -0.0427(4) 0.0472(16) Uani 1 1 d . . .
C57 C 0.1949(6) -0.0940(4) 0.1355(3) 0.0463(15) Uani 1 1 d . . .
H57 H 0.1141 -0.1289 0.1517 0.056 Uiso 1 1 calc R . .
C33 C 0.6454(6) 1.0793(5) 0.3155(3) 0.0494(15) Uani 1 1 d . . .
H33 H 0.6169 1.0819 0.2651 0.059 Uiso 1 1 calc R . .
C63 C 0.7328(6) 1.0709(5) 0.4640(3) 0.0458(15) Uani 1 1 d . . .
H63 H 0.7629 1.0688 0.5143 0.055 Uiso 1 1 calc R . .
C23 C 0.6206(6) 0.9754(5) 0.3320(3) 0.0456(14) Uani 1 1 d . . .
H23 H 0.5737 0.9086 0.2928 0.055 Uiso 1 1 calc R . .
C53 C 0.7566(6) 1.1748(5) 0.4475(4) 0.0514(16) Uani 1 1 d . . .
H53 H 0.8025 1.2420 0.4865 0.062 Uiso 1 1 calc R . .
C13 C 0.6648(5) 0.9694(4) 0.4067(3) 0.0366(13) Uani 1 1 d . . .
C43 C 0.7116(6) 1.1783(5) 0.3727(4) 0.0506(16) Uani 1 1 d . . .
H43 H 0.7263 1.2481 0.3614 0.061 Uiso 1 1 calc R . .
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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11 Pt1 O21 91.48(15) . . ?
O11 Pt1 P1 87.49(11) . . ?
O21 Pt1 P1 177.91(10) . . ?
O11 Pt1 Cl1 177.30(11) . . ?
O21 Pt1 Cl1 85.82(11) . . ?
P1 Pt1 Cl1 95.19(6) . . ?
O15 Pt2 O25 91.13(14) . . ?
O15 Pt2 P2 90.34(11) . . ?
O25 Pt2 P2 176.19(11) . . ?
O15 Pt2 Cl2 177.31(10) . . ?
O25 Pt2 Cl2 86.53(11) . . ?
P2 Pt2 Cl2 92.08(5) . . ?
C13 P1 C14 105.3(3) . . ?
C13 P1 C12 103.5(2) . . ?
C14 P1 C12 105.2(2) . . ?
C13 P1 Pt1 120.79(17) . . ?
C14 P1 Pt1 108.04(18) . . ?
C12 P1 Pt1 112.73(18) . . ?
C18 P2 C17 103.6(2) . . ?
C18 P2 C16 105.7(2) . . ?
C17 P2 C16 105.7(2) . . ?
C18 P2 Pt2 112.85(17) . . ?
C17 P2 Pt2 116.27(16) . . ?
C16 P2 Pt2 111.79(18) . . ?
C11 O11 Pt1 125.7(4) . . ?
C31 O21 Pt1 123.7(4) . . ?
C35 O25 Pt2 124.3(4) . . ?
O11 C11 C21 125.5(6) . . ?
O11 C11 C41 113.5(5) . . ?
C21 C11 C41 121.0(5) . . ?
C32 C22 C12 121.4(6) . . ?
C32 C22 H22 119.3 . . ?
C12 C22 H22 119.3 . . ?
C15 C25 C35 127.5(5) . . ?
C15 C25 H25 116.3 . . ?
C35 C25 H25 116.3 . . ?
C47 C37 C27 121.3(5) . . ?
C47 C37 H37 119.3 . . ?
C27 C37 H37 119.3 . . ?
C15 O15 Pt2 125.4(4) . . ?
C16 C26 C36 120.9(6) . . ?
C16 C26 H26 119.6 . . ?
C36 C26 H26 119.6 . . ?
C11 C41 H51A 109.5 . . ?
C11 C41 H51B 109.5 . . ?
H51A C41 H51B 109.5 . . ?
C11 C41 H51C 109.5 . . ?
H51A C41 H51C 109.5 . . ?
H51B C41 H51C 109.5 . . ?
O21 C31 C21 126.1(6) . . ?
O21 C31 C51 113.1(6) . . ?
C21 C31 C51 120.8(6) . . ?
C15 C45 H55A 109.5 . . ?
C15 C45 H55B 109.5 . . ?
H55A C45 H55B 109.5 . . ?
C15 C45 H55C 109.5 . . ?
H55A C45 H55C 109.5 . . ?
H55B C45 H55C 109.5 . . ?
C58 C68 C18 121.0(5) . . ?
C58 C68 H68 119.5 . . ?
C18 C68 H68 119.5 . . ?
C31 C21 C11 127.4(5) . . ?
C31 C21 H21 116.3 . . ?
C11 C21 H21 116.3 . . ?
C28 C18 C68 118.3(5) . . ?
C28 C18 P2 122.0(4) . . ?
C68 C18 P2 119.5(4) . . ?
C67 C17 C27 119.8(4) . . ?
C67 C17 P2 120.9(4) . . ?
C27 C17 P2 118.9(4) . . ?
C17 C27 C37 119.5(5) . . ?
C17 C27 H27 120.2 . . ?
C37 C27 H27 120.2 . . ?
O25 C35 C25 125.7(6) . . ?
O25 C35 C55 114.0(6) . . ?
C25 C35 C55 120.2(5) . . ?
C26 C36 C46 119.5(6) . . ?
C26 C36 H36 120.3 . . ?
C46 C36 H36 120.3 . . ?
C31 C51 H41A 109.5 . . ?
C31 C51 H41B 109.5 . . ?
H41A C51 H41B 109.5 . . ?
C31 C51 H41C 109.5 . . ?
H41A C51 H41C 109.5 . . ?
H41B C51 H41C 109.5 . . ?
C26 C16 C66 119.0(5) . . ?
C26 C16 P2 119.8(4) . . ?
C66 C16 P2 121.1(5) . . ?
C24 C14 C64 118.2(5) . . ?
C24 C14 P1 123.3(5) . . ?
C64 C14 P1 118.0(4) . . ?
C38 C48 C58 120.9(6) . . ?
C38 C48 H48 119.6 . . ?
C58 C48 H48 119.6 . . ?
C35 C55 H45A 109.5 . . ?
C35 C55 H45B 109.5 . . ?
H45A C55 H45B 109.5 . . ?
C35 C55 H45C 109.5 . . ?
H45A C55 H45C 109.5 . . ?
H45B C55 H45C 109.5 . . ?
C18 C28 C38 120.6(5) . . ?
C18 C28 H28 119.7 . . ?
C38 C28 H28 119.7 . . ?
C17 C67 C57 120.3(5) . . ?
C17 C67 H67 119.9 . . ?
C57 C67 H67 119.9 . . ?
C48 C38 C28 119.5(6) . . ?
C48 C38 H38 120.2 . . ?
C28 C38 H38 120.2 . . ?
C14 C24 C34 120.7(6) . . ?
C14 C24 H24 119.6 . . ?
C34 C24 H24 119.6 . . ?
C48 C58 C68 119.6(5) . . ?
C48 C58 H58 120.2 . . ?
C68 C58 H58 120.2 . . ?
C54 C64 C14 121.3(5) . . ?
C54 C64 H64 119.3 . . ?
C14 C64 H64 119.3 . . ?
C62 C12 C22 118.0(5) . . ?
C62 C12 P1 120.9(4) . . ?
C22 C12 P1 121.0(4) . . ?
C32 C42 C52 121.0(6) . . ?
C32 C42 H42 119.5 . . ?
C52 C42 H42 119.5 . . ?
C64 C54 C44 119.9(6) . . ?
C64 C54 H54 120.0 . . ?
C44 C54 H54 120.0 . . ?
C56 C66 C16 119.0(6) . . ?
C56 C66 H66 120.5 . . ?
C16 C66 H66 120.5 . . ?
C44 C34 C24 119.9(6) . . ?
C44 C34 H34 120.0 . . ?
C24 C34 H34 120.0 . . ?
C34 C44 C54 119.9(6) . . ?
C34 C44 H44 120.1 . . ?
C54 C44 H44 120.1 . . ?
C52 C62 C12 120.6(6) . . ?
C52 C62 H62 119.7 . . ?
C12 C62 H62 119.7 . . ?
C42 C52 C62 119.7(6) . . ?
C42 C52 H52 120.2 . . ?
C62 C52 H52 120.2 . . ?
C37 C47 C57 119.2(5) . . ?
C37 C47 H47 120.4 . . ?
C57 C47 H47 120.4 . . ?
C56 C46 C36 119.9(6) . . ?
C56 C46 H46 120.1 . . ?
C36 C46 H46 120.1 . . ?
C46 C56 C66 121.7(6) . . ?
C46 C56 H56 119.1 . . ?
C66 C56 H56 119.1 . . ?
C42 C32 C22 119.1(6) . . ?
C42 C32 H32 120.4 . . ?
C22 C32 H32 120.4 . . ?
O15 C15 C25 126.0(6) . . ?
O15 C15 C45 112.7(6) . . ?
C25 C15 C45 121.3(5) . . ?
C47 C57 C67 119.8(5) . . ?
C47 C57 H57 120.1 . . ?
C67 C57 H57 120.1 . . ?
C43 C33 C23 120.3(5) . . ?
C43 C33 H33 119.8 . . ?
C23 C33 H33 119.8 . . ?
C53 C63 C13 121.1(5) . . ?
C53 C63 H63 119.4 . . ?
C13 C63 H63 119.4 . . ?
C33 C23 C13 120.8(6) . . ?
C33 C23 H23 119.6 . . ?
C13 C23 H23 119.6 . . ?
C63 C53 C43 119.6(6) . . ?
C63 C53 H53 120.2 . . ?
C43 C53 H53 120.2 . . ?
C63 C13 C23 118.0(5) . . ?
C63 C13 P1 122.4(4) . . ?
C23 C13 P1 119.5(5) . . ?
C33 C43 C53 120.0(5) . . ?
C33 C43 H43 120.0 . . ?
C53 C43 H43 120.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 O11 2.003(4) . ?
Pt1 O21 2.054(4) . ?
Pt1 P1 2.2300(15) . ?
Pt1 Cl1 2.2716(15) . ?
Pt2 O15 2.008(3) . ?
Pt2 O25 2.057(3) . ?
Pt2 P2 2.2321(15) . ?
Pt2 Cl2 2.2859(14) . ?
P1 C13 1.820(5) . ?
P1 C14 1.823(5) . ?
P1 C12 1.825(5) . ?
P2 C18 1.806(5) . ?
P2 C17 1.814(5) . ?
P2 C16 1.822(5) . ?
O11 C11 1.284(6) . ?
O21 C31 1.292(6) . ?
O25 C35 1.282(6) . ?
C11 C21 1.384(8) . ?
C11 C41 1.503(7) . ?
C22 C32 1.376(7) . ?
C22 C12 1.394(7) . ?
C22 H22 0.9300 . ?
C25 C15 1.375(8) . ?
C25 C35 1.385(8) . ?
C25 H25 0.9300 . ?
C37 C47 1.373(7) . ?
C37 C27 1.387(6) . ?
C37 H37 0.9300 . ?
O15 C15 1.288(6) . ?
C26 C16 1.374(7) . ?
C26 C36 1.384(7) . ?
C26 H26 0.9300 . ?
C41 H51A 0.9600 . ?
C41 H51B 0.9600 . ?
C41 H51C 0.9600 . ?
C31 C21 1.382(8) . ?
C31 C51 1.509(7) . ?
C45 C15 1.496(7) . ?
C45 H55A 0.9600 . ?
C45 H55B 0.9600 . ?
C45 H55C 0.9600 . ?
C68 C58 1.390(8) . ?
C68 C18 1.407(6) . ?
C68 H68 0.9300 . ?
C21 H21 0.9300 . ?
C18 C28 1.386(7) . ?
C17 C67 1.379(6) . ?
C17 C27 1.381(6) . ?
C27 H27 0.9300 . ?
C35 C55 1.494(7) . ?
C36 C46 1.388(8) . ?
C36 H36 0.9300 . ?
C51 H41A 0.9600 . ?
C51 H41B 0.9600 . ?
C51 H41C 0.9600 . ?
C16 C66 1.399(6) . ?
C14 C24 1.375(6) . ?
C14 C64 1.399(7) . ?
C48 C38 1.377(7) . ?
C48 C58 1.379(8) . ?
C48 H48 0.9300 . ?
C55 H45A 0.9600 . ?
C55 H45B 0.9600 . ?
C55 H45C 0.9600 . ?
C28 C38 1.409(7) . ?
C28 H28 0.9300 . ?
C67 C57 1.397(6) . ?
C67 H67 0.9300 . ?
C38 H38 0.9300 . ?
C24 C34 1.392(7) . ?
C24 H24 0.9300 . ?
C58 H58 0.9300 . ?
C64 C54 1.366(7) . ?
C64 H64 0.9300 . ?
C12 C62 1.389(7) . ?
C42 C32 1.369(8) . ?
C42 C52 1.378(8) . ?
C42 H42 0.9300 . ?
C54 C44 1.380(7) . ?
C54 H54 0.9300 . ?
C66 C56 1.388(7) . ?
C66 H66 0.9300 . ?
C34 C44 1.375(8) . ?
C34 H34 0.9300 . ?
C44 H44 0.9300 . ?
C62 C52 1.379(7) . ?
C62 H62 0.9300 . ?
C52 H52 0.9300 . ?
C47 C57 1.384(7) . ?
C47 H47 0.9300 . ?
C46 C56 1.342(8) . ?
C46 H46 0.9300 . ?
C56 H56 0.9300 . ?
C32 H32 0.9300 . ?
C57 H57 0.9300 . ?
C33 C43 1.367(8) . ?
C33 C23 1.381(7) . ?
C33 H33 0.9300 . ?
C63 C53 1.381(7) . ?
C63 C13 1.389(7) . ?
C63 H63 0.9300 . ?
C23 C13 1.391(7) . ?
C23 H23 0.9300 . ?
C53 C43 1.385(7) . ?
C53 H53 0.9300 . ?
C43 H43 0.9300 . ?
