#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:32:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179795 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/91/7009149.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_7009149
loop_
_publ_author_name
'Cobley, Christopher J.'
'Ellis, Dianne D.'
'Orpen, A. Guy'
'Pringle, Paul G.'
_publ_section_title
;
 Calix[4]arene derived phosphites: their hydrolytic stability and
 complexes with gold(I), platinum(II,0), palladium(II) and iridium(I)
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1101
_journal_paper_doi               10.1039/a908960h
_journal_year                    2000
_chemical_formula_sum            'C98 H120 Cl12 O8 P2 Pt2'
_chemical_formula_weight         2303.46
_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
_cell_angle_alpha                104.270(11)
_cell_angle_beta                 101.943(12)
_cell_angle_gamma                104.796(8)
_cell_formula_units_Z            1
_cell_length_a                   13.6605(14)
_cell_length_b                   13.821(2)
_cell_length_c                   14.660(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2483.6(6)
_computing_cell_refinement       'SMART (Siemens, 1995b)'
_computing_data_collection       'SMART (Siemens, 1995b)'
_computing_data_reduction        'SMART (Siemens, 1995b)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1995a)'
_computing_publication_material  'SHELXTL (Siemens, 1995a)'
_computing_structure_refinement  'SHELXTL (Siemens, 1995a)'
_computing_structure_solution    'SHELXTL (Siemens, 1995a)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device_type  'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0576
_diffrn_reflns_av_sigmaI/netI    0.1600
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15724
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    3.222
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1162
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.488
_refine_diff_density_min         -1.727
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.789
_refine_ls_goodness_of_fit_obs   0.996
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         10877
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.791
_refine_ls_restrained_S_obs      0.999
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_obs          0.0476
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0334P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1096
_refine_ls_wR_factor_obs         0.1037
_reflns_number_observed          6301
_reflns_number_total             10877
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            a908960h.txt
_cod_data_source_block           5b
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0334P)^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^)+(0.0334P)^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        2483.4(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009149
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.43657(2) 0.36325(2) 0.44954(2) 0.03475(10) Uani 1 d . .
Cl1 Cl 0.4462(2) 0.23186(14) 0.51523(12) 0.0472(5) Uani 1 d . .
Cl2 Cl 0.4429(2) 0.51152(15) 0.39980(13) 0.0620(7) Uani 1 d . .
P1 P 0.34139(13) 0.25574(14) 0.30514(12) 0.0282(4) Uani 1 d . .
O1 O 0.0392(4) 0.1879(3) 0.2216(3) 0.0372(12) Uani 1 d . .
H1 H 0.0452(50) 0.1280(17) 0.2168(14) 0.056 Uiso 1 calc R .
O2 O 0.2493(3) 0.1494(3) 0.2870(3) 0.0297(10) Uani 1 d . .
O3 O 0.4185(3) 0.2183(3) 0.2479(3) 0.0350(11) Uani 1 d . .
O4 O 0.2871(3) 0.3181(3) 0.2465(3) 0.0331(11) Uani 1 d . .
C1 C 0.0905(5) 0.2549(5) 0.3178(4) 0.031(2) Uani 1 d . .
C2 C 0.1056(5) 0.2125(5) 0.3946(5) 0.029(2) Uani 1 d . .
C3 C 0.1508(5) 0.2839(5) 0.4896(4) 0.033(2) Uani 1 d . .
H3A H 0.1622(5) 0.2570(5) 0.5432(4) 0.040 Uiso 1 calc R .
C4 C 0.1795(6) 0.3924(5) 0.5093(5) 0.037(2) Uani 1 d . .
C5 C 0.1691(6) 0.4278(5) 0.4278(4) 0.036(2) Uani 1 d . .
H5A H 0.1934(6) 0.5017(5) 0.4388(4) 0.044 Uiso 1 calc R .
C6 C 0.1256(5) 0.3621(5) 0.3326(4) 0.031(2) Uani 1 d . .
C7 C 0.2188(7) 0.4691(6) 0.6158(5) 0.048(2) Uani 1 d . .
C8 C 0.2805(9) 0.4252(7) 0.6867(5) 0.098(4) Uani 1 d . .
H8A H 0.2354(9) 0.3562(7) 0.6838(5) 0.148 Uiso 1 calc R .
H8B H 0.3020(9) 0.4739(7) 0.7539(5) 0.148 Uiso 1 calc R .
H8C H 0.3435(9) 0.4176(7) 0.6676(5) 0.148 Uiso 1 calc R .
C9 C 0.1229(8) 0.4824(8) 0.6457(6) 0.099(4) Uani 1 d . .
H9A H 0.0762(8) 0.4136(8) 0.6413(6) 0.148 Uiso 1 calc R .
H9B H 0.0851(8) 0.5126(8) 0.6017(6) 0.148 Uiso 1 calc R .
H9C H 0.1450(8) 0.5298(8) 0.7134(6) 0.148 Uiso 1 calc R .
C10 C 0.2902(8) 0.5743(6) 0.6224(5) 0.075(3) Uani 1 d . .
H10A H 0.3527(8) 0.5655(6) 0.6029(5) 0.113 Uiso 1 calc R .
H10B H 0.3123(8) 0.6216(6) 0.6902(5) 0.113 Uiso 1 calc R .
H10C H 0.2524(8) 0.6044(6) 0.5785(5) 0.113 Uiso 1 calc R .
C11 C 0.0778(5) 0.0956(5) 0.3765(5) 0.033(2) Uani 1 d . .
H11A H 0.0237(5) 0.0600(5) 0.3119(5) 0.039 Uiso 1 calc R .
H11B H 0.0440(5) 0.0790(5) 0.4268(5) 0.039 Uiso 1 calc R .
C12 C 0.2440(5) 0.0671(5) 0.3321(4) 0.0275(15) Uani 1 d . .
C13 C 0.3139(5) 0.0083(5) 0.3263(4) 0.029(2) Uani 1 d . .
C14 C 0.3051(5) -0.0678(5) 0.3731(4) 0.034(2) Uani 1 d . .
H14A H 0.3526(5) -0.1074(5) 0.3709(4) 0.040 Uiso 1 calc R .
C15 C 0.2297(5) -0.0896(5) 0.4236(4) 0.030(2) Uani 1 d . .
C16 C 0.1607(5) -0.0319(5) 0.4225(4) 0.030(2) Uani 1 d . .
H16A H 0.1075(5) -0.0463(5) 0.4546(4) 0.036 Uiso 1 calc R .
C17 C 0.1643(5) 0.0464(5) 0.3771(4) 0.0264(15) Uani 1 d . .
C18 C 0.2278(5) -0.1730(5) 0.4760(5) 0.037(2) Uani 1 d . .
C19 C 0.1334(6) -0.1927(6) 0.5183(5) 0.055(2) Uani 1 d . .
H19A H 0.0674(6) -0.2174(6) 0.4649(5) 0.083 Uiso 1 calc R .
H19B H 0.1377(6) -0.1269(6) 0.5659(5) 0.083 Uiso 1 calc R .
H19C H 0.1350(6) -0.2463(6) 0.5511(5) 0.083 Uiso 1 calc R .
C20 C 0.2244(7) -0.2769(6) 0.4045(5) 0.061(3) Uani 1 d . .
H20A H 0.1599(7) -0.3031(6) 0.3492(5) 0.092 Uiso 1 calc R .
H20B H 0.2249(7) -0.3293(6) 0.4388(5) 0.092 Uiso 1 calc R .
H20C H 0.2864(7) -0.2644(6) 0.3797(5) 0.092 Uiso 1 calc R .
C21 C 0.3284(6) -0.1350(6) 0.5602(5) 0.052(2) Uani 1 d . .
H21A H 0.3278(6) -0.1879(6) 0.5941(5) 0.078 Uiso 1 calc R .
H21B H 0.3327(6) -0.0683(6) 0.6065(5) 0.078 Uiso 1 calc R .
H21C H 0.3897(6) -0.1241(6) 0.5345(5) 0.078 Uiso 1 calc R .
C22 C 0.4021(5) 0.0242(6) 0.2775(5) 0.038(2) Uani 1 d . .
H22A H 0.4592(5) 0.0904(6) 0.3190(5) 0.046 Uiso 1 calc R .
H22B H 0.4316(5) -0.0344(6) 0.2759(5) 0.046 Uiso 1 calc R .
C23 C 0.3776(5) 0.1286(6) 0.1617(5) 0.037(2) Uani 1 d . .
C24 C 0.3511(5) 0.1439(6) 0.0714(5) 0.038(2) Uani 1 d . .
C25 C 0.3203(5) 0.0542(6) -0.0107(5) 0.044(2) Uani 1 d . .
H25A H 0.3015(5) 0.0617(6) -0.0741(5) 0.052 Uiso 1 calc R .
C26 C 0.3160(6) -0.0445(6) -0.0044(5) 0.045(2) Uani 1 d . .
C27 C 0.3404(5) -0.0550(6) 0.0900(5) 0.041(2) Uani 1 d . .
H27A H 0.3358(5) -0.1228(6) 0.0959(5) 0.049 Uiso 1 calc R .
C28 C 0.3708(5) 0.0297(6) 0.1739(5) 0.034(2) Uani 1 d . .
C29 C 0.2874(7) -0.1419(7) -0.0949(5) 0.055(2) Uani 1 d . .
C30 C 0.2524(9) -0.1182(8) -0.1903(6) 0.109(4) Uani 1 d . .
H30A H 0.3093(9) -0.0611(8) -0.1945(6) 0.163 Uiso 1 calc R .
H30B H 0.1892(9) -0.0966(8) -0.1916(6) 0.163 Uiso 1 calc R .
H30C H 0.2360(9) -0.1816(8) -0.2463(6) 0.163 Uiso 1 calc R .
C31 C 0.3861(7) -0.1735(8) -0.0944(7) 0.108(4) Uani 1 d . .
H31A H 0.4435(7) -0.1137(8) -0.0939(7) 0.162 Uiso 1 calc R .
H31B H 0.3715(7) -0.2332(8) -0.1532(7) 0.162 Uiso 1 calc R .
H31C H 0.4071(7) -0.1938(8) -0.0356(7) 0.162 Uiso 1 calc R .
C32 C 0.1956(7) -0.2294(7) -0.0957(6) 0.075(3) Uani 1 d . .
H32A H 0.1342(7) -0.2050(7) -0.0960(6) 0.112 Uiso 1 calc R .
H32B H 0.2141(7) -0.2504(7) -0.0369(6) 0.112 Uiso 1 calc R .
H32C H 0.1785(7) -0.2899(7) -0.1546(6) 0.112 Uiso 1 calc R .
C33 C 0.3543(5) 0.2525(6) 0.0658(5) 0.041(2) Uani 1 d . .
H33A H 0.4125(5) 0.3058(6) 0.1218(5) 0.050 Uiso 1 calc R .
H33B H 0.3710(5) 0.2592(6) 0.0046(5) 0.050 Uiso 1 calc R .
C34 C 0.2236(5) 0.3107(5) 0.1540(4) 0.030(2) Uani 1 d . .
C35 C 0.1402(5) 0.3501(5) 0.1549(4) 0.033(2) Uani 1 d . .
C36 C 0.0784(5) 0.3457(5) 0.0652(5) 0.039(2) Uani 1 d . .
H36A H 0.0193(5) 0.3702(5) 0.0642(5) 0.047 Uiso 1 calc R .
C37 C 0.0991(6) 0.3067(5) -0.0243(5) 0.038(2) Uani 1 d . .
C38 C 0.1864(6) 0.2764(5) -0.0200(4) 0.040(2) Uani 1 d . .
H38A H 0.2036(6) 0.2533(5) -0.0795(4) 0.048 Uiso 1 calc R .
C39 C 0.2530(5) 0.2773(5) 0.0676(5) 0.036(2) Uani 1 d . .
C40 C 0.0288(7) 0.3079(7) -0.1199(5) 0.054(2) Uani 1 d . .
C41 C -0.0875(8) 0.2617(12) -0.1263(7) 0.167(7) Uani 1 d . .
H41A H -0.1020(8) 0.1891(12) -0.1245(7) 0.251 Uiso 1 calc R .
H41B H -0.1320(8) 0.2620(12) -0.1879(7) 0.251 Uiso 1 calc R .
H41C H -0.1033(8) 0.3044(12) -0.0706(7) 0.251 Uiso 1 calc R .
C42 C 0.0511(8) 0.2432(7) -0.2089(5) 0.083(3) Uani 1 d . .
H42A H 0.0363(8) 0.1700(7) -0.2091(5) 0.124 Uiso 1 calc R .
H42B H 0.1255(8) 0.2727(7) -0.2057(5) 0.124 Uiso 1 calc R .
H42C H 0.0060(8) 0.2455(7) -0.2692(5) 0.124 Uiso 1 calc R .
C43 C 0.0524(9) 0.4184(7) -0.1225(6) 0.103(4) Uani 1 d . .
H43A H 0.0387(9) 0.4620(7) -0.0659(6) 0.154 Uiso 1 calc R .
H43B H 0.0072(9) 0.4194(7) -0.1834(6) 0.154 Uiso 1 calc R .
H43C H 0.1268(9) 0.4466(7) -0.1199(6) 0.154 Uiso 1 calc R .
C44 C 0.1194(6) 0.4064(5) 0.2475(4) 0.039(2) Uani 1 d . .
H44A H 0.0478(6) 0.4122(5) 0.2284(4) 0.047 Uiso 1 calc R .
H44B H 0.1700(6) 0.4791(5) 0.2728(4) 0.047 Uiso 1 calc R .
C45 C -0.4272(21) 0.4317(14) -0.1679(15) 0.265(17) Uani 1 d . .
H45A H -0.4093(21) 0.5011(14) -0.1790(15) 0.319 Uiso 1 calc R .
H45B H -0.4949(21) 0.3817(14) -0.2145(15) 0.319 Uiso 1 calc R .
Cl3 Cl -0.4097(18) 0.4369(10) -0.0420(13) 0.756(18) Uani 1 d . .
Cl4 Cl -0.3135(9) 0.3750(9) -0.1493(9) 0.440(7) Uani 1 d . .
C46 C 0.6657(12) -0.1652(13) 0.3123(15) 0.207(9) Uani 1 d . .
H46A H 0.6581(12) -0.1269(13) 0.3757(15) 0.248 Uiso 1 calc R .
H46B H 0.6532(12) -0.2398(13) 0.3092(15) 0.248 Uiso 1 calc R .
Cl5 Cl 0.7940(3) -0.1114(3) 0.3082(3) 0.1397(13) Uani 1 d . .
Cl6 Cl 0.5704(3) -0.1587(3) 0.2163(3) 0.167(2) Uani 1 d . .
C47 C -0.0761(9) 0.0201(10) -0.0750(9) 0.084(4) Uani 1 d D .
C48 C 0.0379(14) 0.0198(9) -0.0807(14) 0.249(13) Uani 1 d D .
C49 C 0.0737(25) -0.0015(26) 0.0304(21) 0.280(19) Uiso 1 d 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'
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
P1 Pt1 Cl1 93.98(7) . . ?
P1 Pt1 Cl2 92.92(6) . . ?
Cl1 Pt1 Cl2 172.94(6) . . ?
P1 Pt1 Cl2 173.39(7) . 2_666 ?
Cl1 Pt1 Cl2 89.00(6) . 2_666 ?
Cl2 Pt1 Cl2 83.99(6) . 2_666 ?
Pt1 Cl2 Pt1 96.01(6) . 2_666 ?
O4 P1 O3 106.6(2) . . ?
O4 P1 O2 104.5(2) . . ?
O3 P1 O2 104.0(2) . . ?
O4 P1 Pt1 108.6(2) . . ?
O3 P1 Pt1 108.0(2) . . ?
O2 P1 Pt1 124.0(2) . . ?
C12 O2 P1 131.6(3) . . ?
C23 O3 P1 120.2(4) . . ?
C34 O4 P1 144.0(4) . . ?
C6 C1 C2 122.4(6) . . ?
C6 C1 O1 117.8(5) . . ?
C2 C1 O1 119.8(6) . . ?
C1 C2 C3 116.9(6) . . ?
C1 C2 C11 122.0(6) . . ?
C3 C2 C11 121.1(6) . . ?
C4 C3 C2 123.0(6) . . ?
C3 C4 C5 116.1(6) . . ?
C3 C4 C7 121.7(6) . . ?
C5 C4 C7 122.2(6) . . ?
C6 C5 C4 123.8(6) . . ?
C5 C6 C1 117.4(6) . . ?
C5 C6 C44 120.7(6) . . ?
C1 C6 C44 121.8(6) . . ?
C10 C7 C9 109.5(7) . . ?
C10 C7 C8 107.8(7) . . ?
C9 C7 C8 109.7(7) . . ?
C10 C7 C4 111.3(6) . . ?
C9 C7 C4 107.4(6) . . ?
C8 C7 C4 111.2(6) . . ?
C2 C11 C17 118.9(5) . . ?
C17 C12 C13 122.2(6) . . ?
C17 C12 O2 116.9(6) . . ?
C13 C12 O2 120.8(6) . . ?
C14 C13 C12 117.3(6) . . ?
C14 C13 C22 116.8(6) . . ?
C12 C13 C22 125.8(6) . . ?
C13 C14 C15 123.4(6) . . ?
C16 C15 C14 116.1(6) . . ?
C16 C15 C18 124.0(6) . . ?
C14 C15 C18 119.9(6) . . ?
C15 C16 C17 124.0(6) . . ?
C12 C17 C16 116.9(6) . . ?
C12 C17 C11 126.2(5) . . ?
C16 C17 C11 116.8(6) . . ?
C21 C18 C15 109.0(5) . . ?
C21 C18 C19 108.1(5) . . ?
C15 C18 C19 111.9(6) . . ?
C21 C18 C20 107.9(6) . . ?
C15 C18 C20 109.9(5) . . ?
C19 C18 C20 109.8(6) . . ?
C28 C22 C13 115.7(5) . . ?
C24 C23 C28 123.9(7) . . ?
C24 C23 O3 118.6(6) . . ?
C28 C23 O3 117.4(6) . . ?
C23 C24 C25 116.0(7) . . ?
C23 C24 C33 120.0(7) . . ?
C25 C24 C33 124.0(6) . . ?
C26 C25 C24 123.2(7) . . ?
C25 C26 C27 117.7(7) . . ?
C25 C26 C29 123.1(7) . . ?
C27 C26 C29 119.2(7) . . ?
C28 C27 C26 122.2(7) . . ?
C27 C28 C23 116.9(6) . . ?
C27 C28 C22 124.6(7) . . ?
C23 C28 C22 118.4(6) . . ?
C32 C29 C31 112.8(8) . . ?
C32 C29 C30 105.3(7) . . ?
C31 C29 C30 108.3(8) . . ?
C32 C29 C26 111.3(7) . . ?
C31 C29 C26 107.5(6) . . ?
C30 C29 C26 111.8(7) . . ?
C39 C33 C24 114.6(6) . . ?
C35 C34 C39 122.2(6) . . ?
C35 C34 O4 116.4(6) . . ?
C39 C34 O4 120.9(6) . . ?
C34 C35 C36 117.4(6) . . ?
C34 C35 C44 123.9(6) . . ?
C36 C35 C44 118.5(6) . . ?
C35 C36 C37 123.0(7) . . ?
C38 C37 C36 117.1(6) . . ?
C38 C37 C40 123.1(7) . . ?
C36 C37 C40 119.6(7) . . ?
C37 C38 C39 123.6(7) . . ?
C38 C39 C34 116.3(7) . . ?
C38 C39 C33 119.3(6) . . ?
C34 C39 C33 124.2(6) . . ?
C43 C40 C42 107.7(7) . . ?
C43 C40 C41 110.3(9) . . ?
C42 C40 C41 108.9(8) . . ?
C43 C40 C37 109.3(6) . . ?
C42 C40 C37 110.7(7) . . ?
C41 C40 C37 110.0(7) . . ?
C35 C44 C6 120.1(6) . . ?
Cl3 C45 Cl4 80.2(11) . . ?
C45 Cl3 Cl4 52.1(10) . . ?
C45 Cl4 Cl3 47.7(8) . . ?
Cl5 C46 Cl6 112.7(8) . . ?
C49 C47 C48 95.5(28) 2 . ?
C47 C48 C49 94.7(18) . . ?
C47 C48 C49 24.5(10) . 2 ?
C49 C48 C49 70.5(21) . 2 ?
C47 C49 C48 166.3(42) 2 . ?
C47 C49 C48 59.9(26) 2 2 ?
C48 C49 C48 109.5(21) . 2 ?
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 P1 2.169(2) . ?
Pt1 Cl1 2.275(2) . ?
Pt1 Cl2 2.326(2) . ?
Pt1 Cl2 2.396(2) 2_666 ?
Cl2 Pt1 2.396(2) 2_666 ?
P1 O4 1.569(4) . ?
P1 O3 1.584(5) . ?
P1 O2 1.593(4) . ?
O1 C1 1.396(7) . ?
O2 C12 1.444(7) . ?
O3 C23 1.425(8) . ?
O4 C34 1.413(6) . ?
C1 C6 1.382(8) . ?
C1 C2 1.395(8) . ?
C2 C3 1.397(8) . ?
C2 C11 1.502(8) . ?
C3 C4 1.386(9) . ?
C4 C5 1.393(8) . ?
C4 C7 1.548(9) . ?
C5 C6 1.372(8) . ?
C6 C44 1.514(8) . ?
C7 C10 1.498(10) . ?
C7 C9 1.504(12) . ?
C7 C8 1.539(11) . ?
C11 C17 1.507(9) . ?
C12 C17 1.391(8) . ?
C12 C13 1.406(8) . ?
C13 C14 1.384(8) . ?
C13 C22 1.520(9) . ?
C14 C15 1.402(9) . ?
C15 C16 1.380(9) . ?
C15 C18 1.533(8) . ?
C16 C17 1.400(8) . ?
C18 C21 1.516(8) . ?
C18 C19 1.534(10) . ?
C18 C20 1.539(9) . ?
C22 C28 1.516(8) . ?
C23 C24 1.381(8) . ?
C23 C28 1.404(9) . ?
C24 C25 1.396(9) . ?
C24 C33 1.513(9) . ?
C25 C26 1.378(10) . ?
C26 C27 1.406(9) . ?
C26 C29 1.537(10) . ?
C27 C28 1.374(9) . ?
C29 C32 1.499(10) . ?
C29 C31 1.519(11) . ?
C29 C30 1.525(10) . ?
C33 C39 1.512(9) . ?
C34 C35 1.384(9) . ?
C34 C39 1.412(9) . ?
C35 C36 1.385(8) . ?
C35 C44 1.511(9) . ?
C36 C37 1.405(9) . ?
C37 C38 1.356(10) . ?
C37 C40 1.533(9) . ?
C38 C39 1.408(8) . ?
C40 C43 1.490(11) . ?
C40 C42 1.525(11) . ?
C40 C41 1.527(12) . ?
C45 Cl3 1.79(2) . ?
C45 Cl4 1.91(3) . ?
Cl3 Cl4 2.39(2) . ?
C46 Cl5 1.740(13) . ?
C46 Cl6 1.74(2) . ?
C47 C49 0.76(3) 2 ?
C47 C48 1.58(2) . ?
C48 C49 1.72(2) . ?
C48 C49 1.81(4) 2 ?
C49 C47 0.76(3) 2 ?
C49 C48 1.81(4) 2 ?
