#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:25:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179140 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/01/4310109.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_4310109
loop_
_publ_author_name
'Piero Mastrorilli'
'Cosimo F. Nobile'
'Mario Latronico'
'Vito Gallo'
'Ulli Englert'
'Francesco P. Fanizzi'
'Oronzo Sciacovelli'
_publ_contact_author_address
;
       Institut fuer Anorganische Chemie
       RWTH Aachen
       Prof.-Pirlet-Str.1
       52074 Aachen
       Germany
;
_publ_contact_author_email       ullrich.englert@ac.rwth-aachen.de
_publ_contact_author_fax         0049-241-8092288
_publ_contact_author_name        'Ulli Englert'
_publ_contact_author_phone       0049-241-8094666
_publ_section_title
;
Multinuclear and Dynamic NMR Study of trans-[Pt(Cl)(PHCy2)2(PCy2)],
[Pt(Cl)(PHCy2)3][BF4],
[Pt(Cl)(PHCy2)3][Cl], trans-[Pt(Cl)(PHCy2)2{P(S)Cy2}],
and trans-[Pt(Cl)(PHCy2)2{P(O)Cy2}]. Influence of Intramolecular
PO...H-P and Cl...H-P Interactions on Restricted Rotation about
Pt-P Bond. X-ray Structure of trans-[Pt(Cl)(PHCy2)2{P(O)Cy2}]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9097
_journal_page_last               9104
_journal_paper_doi               10.1021/ic051198x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C36 H68 Cl O P3 Pt, H2 O'
_chemical_formula_sum            'C36 H70 Cl O2 P3 Pt'
_chemical_formula_weight         858.37
_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                101.035(2)
_cell_angle_beta                 111.432(2)
_cell_angle_gamma                94.637(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9262(8)
_cell_length_b                   13.3376(10)
_cell_length_c                   13.4580(9)
_cell_measurement_reflns_used    5535
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.67
_cell_measurement_theta_min      2.46
_cell_volume                     1929.0(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full .984
_diffrn_measured_fraction_theta_max .984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega 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  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            38861
_diffrn_reflns_theta_full        29.16
_diffrn_reflns_theta_max         29.16
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    3.860
_exptl_absorpt_correction_T_max  0.8304
_exptl_absorpt_correction_T_min  0.5599
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.753
_refine_diff_density_min         -2.692
_refine_diff_density_rms         .152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         10259
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+1.2000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0890
_reflns_number_gt                8980
_reflns_number_total             10259
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051198xsi20050718_102012.cif
_cod_data_source_block           pm13
_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^)+(0.0400P)^2^+1.2000P] 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^)+(0.0400P)^2^+1.2000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4310109
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.440334(13) 0.199146(12) 0.237557(12) 0.01542(5) Uani 1 d . . .
Cl1 Cl 0.56444(10) 0.11770(9) 0.14952(9) 0.0291(2) Uani 1 d . . .
P1 P 0.32927(9) 0.27066(8) 0.32955(8) 0.0170(2) Uani 1 d . . .
P2 P 0.59991(10) 0.33459(8) 0.33035(9) 0.0203(2) Uani 1 d . . .
H2 H 0.5847 0.3943 0.3934 0.024 Uiso 1 d R . .
P3 P 0.28703(9) 0.06061(8) 0.13090(8) 0.0175(2) Uani 1 d . . .
H3 H 0.1823 0.0586 0.1239 0.021 Uiso 1 d R . .
O1 O 0.3896(3) 0.3679(2) 0.4206(2) 0.0225(6) Uani 1 d . . .
C1 C 0.2862(4) 0.1692(3) 0.3914(3) 0.0187(8) Uani 1 d . . .
H1 H 0.2423 0.1059 0.3312 0.022 Uiso 1 calc R . .
C2 C 0.4052(4) 0.1428(3) 0.4698(3) 0.0205(8) Uani 1 d . . .
H2A H 0.4565 0.1213 0.4285 0.025 Uiso 1 calc R . .
H2B H 0.4515 0.2054 0.5286 0.025 Uiso 1 calc R . .
C3 C 0.3783(4) 0.0555(3) 0.5217(3) 0.0218(9) Uani 1 d . . .
H3A H 0.3390 -0.0089 0.4635 0.026 Uiso 1 calc R . .
H3B H 0.4560 0.0425 0.5740 0.026 Uiso 1 calc R . .
C4 C 0.2949(4) 0.0837(3) 0.5818(3) 0.0228(9) Uani 1 d . . .
H4A H 0.2742 0.0243 0.6097 0.027 Uiso 1 calc R . .
H4B H 0.3382 0.1430 0.6456 0.027 Uiso 1 calc R . .
C5 C 0.1782(4) 0.1120(4) 0.5064(4) 0.0259(9) Uani 1 d . . .
H5A H 0.1286 0.1345 0.5490 0.031 Uiso 1 calc R . .
H5B H 0.1299 0.0499 0.4477 0.031 Uiso 1 calc R . .
C6 C 0.2043(4) 0.1985(3) 0.4538(3) 0.0207(8) Uani 1 d . . .
H6A H 0.2448 0.2629 0.5117 0.025 Uiso 1 calc R . .
H6B H 0.1262 0.2119 0.4024 0.025 Uiso 1 calc R . .
C7 C 0.1893(4) 0.3010(3) 0.2313(3) 0.0210(8) Uani 1 d . . .
H7 H 0.1318 0.2347 0.1889 0.025 Uiso 1 calc R . .
C8 C 0.2197(4) 0.3537(3) 0.1502(3) 0.0252(9) Uani 1 d . . .
H8A H 0.2770 0.4192 0.1913 0.030 Uiso 1 calc R . .
H8B H 0.2609 0.3081 0.1124 0.030 Uiso 1 calc R . .
C9 C 0.1053(5) 0.3766(4) 0.0644(4) 0.0398(12) Uani 1 d . . .
H9A H 0.0506 0.3108 0.0191 0.048 Uiso 1 calc R . .
H9B H 0.1288 0.4125 0.0152 0.048 Uiso 1 calc R . .
C10 C 0.0378(5) 0.4447(4) 0.1206(5) 0.0393(12) Uani 1 d . . .
H10A H 0.0888 0.5138 0.1578 0.047 Uiso 1 calc R . .
H10B H -0.0392 0.4541 0.0643 0.047 Uiso 1 calc R . .
C11 C 0.1241(4) 0.3729(4) 0.2881(4) 0.0329(11) Uani 1 d . . .
H11A H 0.1015 0.3391 0.3392 0.040 Uiso 1 calc R . .
H11B H 0.1806 0.4383 0.3318 0.040 Uiso 1 calc R . .
C12 C 0.0091(4) 0.3971(4) 0.2042(5) 0.0391(13) Uani 1 d . . .
H12A H -0.0507 0.3325 0.1656 0.047 Uiso 1 calc R . .
H12B H -0.0283 0.4457 0.2430 0.047 Uiso 1 calc R . .
C13 C 0.6119(5) 0.4226(3) 0.2420(4) 0.0291(10) Uani 1 d . . .
H13 H 0.5258 0.4215 0.1916 0.035 Uiso 1 calc R . .
C14 C 0.6592(5) 0.5364(3) 0.3064(4) 0.0294(10) Uani 1 d . . .
H14A H 0.6084 0.5583 0.3480 0.035 Uiso 1 calc R . .
H14B H 0.7443 0.5434 0.3597 0.035 Uiso 1 calc R . .
C15 C 0.6544(6) 0.6055(4) 0.2276(5) 0.0474(14) Uani 1 d . . .
H15A H 0.5680 0.6071 0.1828 0.057 Uiso 1 calc R . .
H15B H 0.6933 0.6770 0.2706 0.057 Uiso 1 calc R . .
C16 C 0.7171(7) 0.5696(4) 0.1533(5) 0.0534(16) Uani 1 d . . .
H16A H 0.8055 0.5760 0.1973 0.064 Uiso 1 calc R . .
H16B H 0.7070 0.6145 0.1010 0.064 Uiso 1 calc R . .
C17 C 0.6667(6) 0.4576(4) 0.0892(4) 0.0474(15) Uani 1 d . . .
H17A H 0.7140 0.4352 0.0443 0.057 Uiso 1 calc R . .
H17B H 0.5806 0.4522 0.0388 0.057 Uiso 1 calc R . .
C18 C 0.6744(5) 0.3856(4) 0.1690(4) 0.0381(12) Uani 1 d . . .
H18A H 0.6358 0.3141 0.1262 0.046 Uiso 1 calc R . .
H18B H 0.7611 0.3848 0.2136 0.046 Uiso 1 calc R . .
C19 C 0.7477(4) 0.2947(3) 0.3977(3) 0.0210(8) Uani 1 d . . .
H19 H 0.7712 0.2555 0.3392 0.025 Uiso 1 calc R . .
C20 C 0.8495(4) 0.3867(4) 0.4664(4) 0.0285(10) Uani 1 d . . .
H20A H 0.8240 0.4307 0.5197 0.034 Uiso 1 calc R . .
H20B H 0.8628 0.4290 0.4175 0.034 Uiso 1 calc R . .
C21 C 0.9694(4) 0.3517(4) 0.5286(4) 0.0338(11) Uani 1 d . . .
H21A H 0.9997 0.3139 0.4753 0.041 Uiso 1 calc R . .
H21B H 1.0316 0.4133 0.5750 0.041 Uiso 1 calc R . .
C22 C 0.9516(4) 0.2816(4) 0.6010(4) 0.0281(10) Uani 1 d . . .
H22A H 1.0296 0.2584 0.6387 0.034 Uiso 1 calc R . .
H22B H 0.9268 0.3207 0.6577 0.034 Uiso 1 calc R . .
C23 C 0.8537(4) 0.1876(3) 0.5310(4) 0.0276(10) Uani 1 d . . .
H23A H 0.8412 0.1437 0.5789 0.033 Uiso 1 calc R . .
H23B H 0.8815 0.1458 0.4779 0.033 Uiso 1 calc R . .
C24 C 0.7326(4) 0.2211(3) 0.4685(4) 0.0250(9) Uani 1 d . . .
H24A H 0.7006 0.2561 0.5218 0.030 Uiso 1 calc R . .
H24B H 0.6723 0.1589 0.4207 0.030 Uiso 1 calc R . .
C25 C 0.3102(4) -0.0613(3) 0.1763(3) 0.0235(9) Uani 1 d . . .
H25 H 0.3671 -0.0408 0.2554 0.028 Uiso 1 calc R . .
C26 C 0.1931(5) -0.1225(4) 0.1719(4) 0.0323(11) Uani 1 d . . .
H26A H 0.1578 -0.0780 0.2166 0.039 Uiso 1 calc R . .
H26B H 0.1324 -0.1427 0.0951 0.039 Uiso 1 calc R . .
C27 C 0.2191(6) -0.2196(4) 0.2153(4) 0.0419(13) Uani 1 d . . .
H27A H 0.2714 -0.1988 0.2948 0.050 Uiso 1 calc R . .
H27B H 0.1412 -0.2599 0.2065 0.050 Uiso 1 calc R . .
C28 C 0.2822(5) -0.2874(4) 0.1555(4) 0.0399(12) Uani 1 d . . .
H28A H 0.3021 -0.3469 0.1891 0.048 Uiso 1 calc R . .
H28B H 0.2262 -0.3149 0.0776 0.048 Uiso 1 calc R . .
C29 C 0.3987(5) -0.2268(4) 0.1610(4) 0.0383(12) Uani 1 d . . .
H29A H 0.4351 -0.2717 0.1177 0.046 Uiso 1 calc R . .
H29B H 0.4582 -0.2060 0.2382 0.046 Uiso 1 calc R . .
C30 C 0.3739(4) -0.1299(4) 0.1162(4) 0.0298(10) Uani 1 d . . .
H30A H 0.4521 -0.0899 0.1253 0.036 Uiso 1 calc R . .
H30B H 0.3218 -0.1509 0.0368 0.036 Uiso 1 calc R . .
C31 C 0.2535(4) 0.0351(3) -0.0176(3) 0.0185(8) Uani 1 d . . .
H31 H 0.3209 0.0020 -0.0305 0.022 Uiso 1 calc R . .
C32 C 0.2516(4) 0.1362(3) -0.0549(3) 0.0244(9) Uani 1 d . . .
H32A H 0.3306 0.1828 -0.0114 0.029 Uiso 1 calc R . .
H32B H 0.1862 0.1712 -0.0422 0.029 Uiso 1 calc R . .
C33 C 0.2289(4) 0.1146(4) -0.1775(3) 0.0282(10) Uani 1 d . . .
H33A H 0.2264 0.1806 -0.2009 0.034 Uiso 1 calc R . .
H33B H 0.2971 0.0836 -0.1892 0.034 Uiso 1 calc R . .
C34 C 0.1090(4) 0.0412(4) -0.2470(4) 0.0306(10) Uani 1 d . . .
H34A H 0.0400 0.0747 -0.2408 0.037 Uiso 1 calc R . .
H34B H 0.0984 0.0258 -0.3252 0.037 Uiso 1 calc R . .
C35 C 0.1328(4) -0.0398(4) -0.0866(3) 0.0275(10) Uani 1 d . . .
H35A H 0.1372 -0.1064 -0.0642 0.033 Uiso 1 calc R . .
H35B H 0.0648 -0.0102 -0.0730 0.033 Uiso 1 calc R . .
C36 C 0.1081(4) -0.0591(4) -0.2092(3) 0.0306(10) Uani 1 d . . .
H36A H 0.1710 -0.0963 -0.2238 0.037 Uiso 1 calc R . .
H36B H 0.0276 -0.1037 -0.2522 0.037 Uiso 1 calc R . .
O2 O 0.5969(3) 0.4298(3) 0.6178(3) 0.0360(8) Uani 1 d . . .
H2C H 0.5237 0.4023 0.5576 0.043 Uiso 1 d R . .
H2D H 0.6064 0.4950 0.6029 0.043 Uiso 1 d R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 '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 P2 91.29(4) . . ?
P1 Pt1 P3 93.74(4) . . ?
P2 Pt1 P3 174.45(4) . . ?
P1 Pt1 Cl1 176.23(4) . . ?
P2 Pt1 Cl1 88.51(4) . . ?
P3 Pt1 Cl1 86.61(4) . . ?
O1 P1 C7 106.97(18) . . ?
O1 P1 C1 107.69(17) . . ?
C7 P1 C1 108.90(19) . . ?
O1 P1 Pt1 118.11(12) . . ?
C7 P1 Pt1 109.47(14) . . ?
C1 P1 Pt1 105.44(13) . . ?
C19 P2 C13 110.9(2) . . ?
C19 P2 Pt1 114.14(14) . . ?
C13 P2 Pt1 112.01(15) . . ?
C19 P2 H2 107.9 . . ?
C13 P2 H2 96.2 . . ?
Pt1 P2 H2 114.3 . . ?
C31 P3 C25 109.04(19) . . ?
C31 P3 Pt1 114.59(13) . . ?
C25 P3 Pt1 114.09(14) . . ?
C31 P3 H3 97.2 . . ?
C25 P3 H3 96.7 . . ?
Pt1 P3 H3 122.8 . . ?
C6 C1 C2 109.6(3) . . ?
C6 C1 P1 114.8(3) . . ?
C2 C1 P1 107.6(3) . . ?
C6 C1 H1 108.2 . . ?
C2 C1 H1 108.2 . . ?
P1 C1 H1 108.2 . . ?
C3 C2 C1 111.2(3) . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C2 111.1(3) . . ?
C4 C3 H3A 109.4 . . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
C2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C5 C4 C3 111.1(3) . . ?
C5 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
C5 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C4 C5 C6 112.0(3) . . ?
C4 C5 H5A 109.2 . . ?
C6 C5 H5A 109.2 . . ?
C4 C5 H5B 109.2 . . ?
C6 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
C5 C6 C1 111.1(3) . . ?
C5 C6 H6A 109.4 . . ?
C1 C6 H6A 109.4 . . ?
C5 C6 H6B 109.4 . . ?
C1 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C8 C7 C11 108.3(3) . . ?
C8 C7 P1 110.2(3) . . ?
C11 C7 P1 112.8(3) . . ?
C8 C7 H7 108.5 . . ?
C11 C7 H7 108.5 . . ?
P1 C7 H7 108.5 . . ?
C9 C8 C7 111.9(4) . . ?
C9 C8 H8A 109.2 . . ?
C7 C8 H8A 109.2 . . ?
C9 C8 H8B 109.2 . . ?
C7 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C8 C9 C10 110.4(4) . . ?
C8 C9 H9A 109.6 . . ?
C10 C9 H9A 109.6 . . ?
C8 C9 H9B 109.6 . . ?
C10 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C12 C10 C9 111.6(4) . . ?
C12 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
C12 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C7 111.4(4) . . ?
C12 C11 H11A 109.3 . . ?
C7 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C7 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C10 C12 C11 111.5(4) . . ?
C10 C12 H12A 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C10 C12 H12B 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C18 C13 C14 113.7(4) . . ?
C18 C13 P2 114.1(3) . . ?
C14 C13 P2 112.9(3) . . ?
C18 C13 H13 105.0 . . ?
C14 C13 H13 105.0 . . ?
P2 C13 H13 105.0 . . ?
C15 C14 C13 110.1(4) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.2 . . ?
C16 C15 C14 112.5(5) . . ?
C16 C15 H15A 109.1 . . ?
C14 C15 H15A 109.1 . . ?
C16 C15 H15B 109.1 . . ?
C14 C15 H15B 109.1 . . ?
H15A C15 H15B 107.8 . . ?
C15 C16 C17 112.0(5) . . ?
C15 C16 H16A 109.2 . . ?
C17 C16 H16A 109.2 . . ?
C15 C16 H16B 109.2 . . ?
C17 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
C16 C17 C18 110.5(4) . . ?
C16 C17 H17A 109.6 . . ?
C18 C17 H17A 109.6 . . ?
C16 C17 H17B 109.6 . . ?
C18 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C13 C18 C17 110.2(4) . . ?
C13 C18 H18A 109.6 . . ?
C17 C18 H18A 109.6 . . ?
C13 C18 H18B 109.6 . . ?
C17 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C20 C19 C24 111.0(4) . . ?
C20 C19 P2 112.7(3) . . ?
C24 C19 P2 108.9(3) . . ?
C20 C19 H19 108.0 . . ?
C24 C19 H19 108.0 . . ?
P2 C19 H19 108.0 . . ?
C19 C20 C21 111.9(4) . . ?
C19 C20 H20A 109.2 . . ?
C21 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C21 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 111.1(4) . . ?
C22 C21 H21A 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C23 C22 C21 110.1(4) . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.2 . . ?
C22 C23 C24 110.9(4) . . ?
C22 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.0 . . ?
C23 C24 C19 112.0(3) . . ?
C23 C24 H24A 109.2 . . ?
C19 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
C19 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C30 C25 C26 111.2(4) . . ?
C30 C25 P3 112.7(3) . . ?
C26 C25 P3 113.5(3) . . ?
C30 C25 H25 106.3 . . ?
C26 C25 H25 106.3 . . ?
P3 C25 H25 106.3 . . ?
C27 C26 C25 111.1(4) . . ?
C27 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C27 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C28 C27 C26 111.9(4) . . ?
C28 C27 H27A 109.2 . . ?
C26 C27 H27A 109.2 . . ?
C28 C27 H27B 109.2 . . ?
C26 C27 H27B 109.2 . . ?
H27A C27 H27B 107.9 . . ?
C29 C28 C27 111.2(4) . . ?
C29 C28 H28A 109.4 . . ?
C27 C28 H28A 109.4 . . ?
C29 C28 H28B 109.4 . . ?
C27 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C28 C29 C30 111.5(4) . . ?
C28 C29 H29A 109.3 . . ?
C30 C29 H29A 109.3 . . ?
C28 C29 H29B 109.3 . . ?
C30 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C25 C30 C29 111.2(4) . . ?
C25 C30 H30A 109.4 . . ?
C29 C30 H30A 109.4 . . ?
C25 C30 H30B 109.4 . . ?
C29 C30 H30B 109.4 . . ?
H30A C30 H30B 108.0 . . ?
C32 C31 C35 110.5(3) . . ?
C32 C31 P3 110.6(3) . . ?
C35 C31 P3 112.1(3) . . ?
C32 C31 H31 107.8 . . ?
C35 C31 H31 107.8 . . ?
P3 C31 H31 107.8 . . ?
C31 C32 C33 110.2(4) . . ?
C31 C32 H32A 109.6 . . ?
C33 C32 H32A 109.6 . . ?
C31 C32 H32B 109.6 . . ?
C33 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
C34 C33 C32 111.1(4) . . ?
C34 C33 H33A 109.4 . . ?
C32 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C36 C34 C33 110.5(4) . . ?
C36 C34 H34A 109.6 . . ?
C33 C34 H34A 109.6 . . ?
C36 C34 H34B 109.6 . . ?
C33 C34 H34B 109.6 . . ?
H34A C34 H34B 108.1 . . ?
C36 C35 C31 110.6(3) . . ?
C36 C35 H35A 109.5 . . ?
C31 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C31 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C34 C36 C35 112.1(4) . . ?
C34 C36 H36A 109.2 . . ?
C35 C36 H36A 109.2 . . ?
C34 C36 H36B 109.2 . . ?
C35 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
H2C O2 H2D 96.6 . . ?
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 2.2688(10) . ?
Pt1 P2 2.2997(11) . ?
Pt1 P3 2.3104(11) . ?
Pt1 Cl1 2.4131(10) . ?
P1 O1 1.516(3) . ?
P1 C7 1.844(4) . ?
P1 C1 1.849(4) . ?
P2 C19 1.838(4) . ?
P2 C13 1.855(4) . ?
P2 H2 1.1241 . ?
P3 C31 1.845(4) . ?
P3 C25 1.850(4) . ?
P3 H3 1.2148 . ?
C1 C6 1.533(5) . ?
C1 C2 1.542(5) . ?
C1 H1 1.0000 . ?
C2 C3 1.537(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.523(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.520(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.531(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.536(6) . ?
C7 C11 1.543(6) . ?
C7 H7 1.0000 . ?
C8 C9 1.530(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.531(7) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C12 1.519(7) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.530(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C18 1.474(7) . ?
C13 C14 1.541(6) . ?
C13 H13 1.0000 . ?
C14 C15 1.522(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.486(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.522(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.556(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.529(6) . ?
C19 C24 1.535(6) . ?
C19 H19 1.0000 . ?
C20 C21 1.531(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.529(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.526(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.535(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C30 1.531(6) . ?
C25 C26 1.536(6) . ?
C25 H25 1.0000 . ?
C26 C27 1.528(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.519(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.519(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.533(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.526(6) . ?
C31 C35 1.539(6) . ?
C31 H31 1.0000 . ?
C32 C33 1.535(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.525(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C36 1.519(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.532(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
O2 H2C 0.9331 . ?
O2 H2D 0.9364 . ?
