#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/93/4079354.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_4079354
loop_
_publ_author_name
'Zhang, Pengrong'
'Berg, David J.'
'Mitchell, Reginald H.'
'Oliver, Allen'
'Patrick, Brian'
_publ_section_title
;
 Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              8121
_journal_paper_doi               10.1021/om3007008
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C72 H96 O2 P2 Pt, C0.20 H0.40 Cl0.40'
_chemical_formula_sum            'C72.2 H96.4 Cl0.4 O2 P2 Pt'
_chemical_formula_weight         1267.50
_chemical_name_common            'C72 H96 O2 P2 Pt, 0.2(CH2Cl2)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.991(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.874(5)
_cell_length_b                   9.872(3)
_cell_length_c                   20.461(6)
_cell_measurement_reflns_used    7403
_cell_measurement_temperature    89(2)
_cell_measurement_theta_max      29.23
_cell_measurement_theta_min      2.32
_cell_volume                     3413.9(17)
_computing_cell_refinement       'Bruker SAINT+ v. 6.45a'
_computing_data_collection       'Bruker SMART v. 5.630'
_computing_data_reduction        'Bruker SAINT+ v. 6.45a'
_computing_molecular_graphics    'XP, Bruker SHELXTL v. 6.12'
_computing_publication_material  'XCIF, Bruker SHELXTL v. 6.12'
_computing_structure_refinement  'XL, Bruker SHELXTL v. 6.12'
_computing_structure_solution    'XS, Bruker SHELXTL v. 6.12'
_diffrn_ambient_temperature      89(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker/Siemens SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            37856
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.84
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.159
_exptl_absorpt_correction_T_max  0.8997
_exptl_absorpt_correction_T_min  0.6144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2001'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1321
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.908
_refine_diff_density_min         -1.319
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         6172
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0550P)²+14.2731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1176
_reflns_number_gt                4814
_reflns_number_total             6172
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om3007008_si_004.cif
_cod_data_source_block           bt851
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3413.9(16)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C72.20 H96.40 Cl0.40 O2 P2 Pt'
_cod_database_code               4079354
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C23 C 0.2668(4) 0.5510(7) 0.2137(4) 0.0425(19) Uani 1 1 d . . .
H23A H 0.2364 0.6335 0.2142 0.064 Uiso 1 1 calc R . .
H23B H 0.2334 0.4715 0.2122 0.064 Uiso 1 1 calc R . .
H23C H 0.2839 0.5515 0.1728 0.064 Uiso 1 1 calc R . .
C22 C 0.3882(5) 0.4178(6) 0.2782(4) 0.0431(18) Uani 1 1 d . . .
H22A H 0.4043 0.4177 0.2367 0.065 Uiso 1 1 calc R . .
H22B H 0.3564 0.3369 0.2782 0.065 Uiso 1 1 calc R . .
H22C H 0.4354 0.4174 0.3194 0.065 Uiso 1 1 calc R . .
C21 C 0.3387(4) 0.5458(6) 0.2784(4) 0.0346(16) Uani 1 1 d . . .
C24 C 0.3111(5) 0.5365(7) 0.3420(5) 0.053(2) Uani 1 1 d . . .
H24A H 0.2788 0.6160 0.3436 0.079 Uiso 1 1 calc R . .
H24B H 0.3573 0.5334 0.3841 0.079 Uiso 1 1 calc R . .
H24C H 0.2795 0.4542 0.3390 0.079 Uiso 1 1 calc R . .
C6 C 0.3900(4) 0.6709(6) 0.2804(3) 0.0284(14) Uani 1 1 d . . .
C7 C 0.4001(4) 0.7708(6) 0.3301(3) 0.0282(14) Uani 1 1 d . A .
H7A H 0.3752 0.7600 0.3644 0.034 Uiso 1 1 calc R . .
C8 C 0.4454(3) 0.8867(6) 0.3318(3) 0.0271(13) Uani 1 1 d D . .
C9 C 0.4553(3) 0.9933(7) 0.3793(3) 0.0289(12) Uani 1 1 d . A .
C10 C 0.5016(4) 1.1075(7) 0.3762(3) 0.0307(14) Uani 1 1 d . . .
C11 C 0.5359(3) 1.1253(6) 0.3250(3) 0.0248(13) Uani 1 1 d D A .
C12 C 0.5834(3) 1.2360(6) 0.3219(3) 0.0250(13) Uani 1 1 d . . .
H12A H 0.5937 1.3032 0.3570 0.030 Uiso 1 1 calc R A .
C13 C 0.6161(3) 1.2513(6) 0.2697(3) 0.0244(13) Uani 1 1 d . A .
C25 C 0.6636(3) 1.3780(6) 0.2645(3) 0.0262(13) Uani 1 1 d . . .
C28 C 0.6840(4) 1.4671(6) 0.3291(4) 0.0377(17) Uani 1 1 d . A .
H28A H 0.7173 1.5428 0.3243 0.057 Uiso 1 1 calc R . .
H28B H 0.7127 1.4131 0.3698 0.057 Uiso 1 1 calc R . .
H28C H 0.6352 1.5023 0.3347 0.057 Uiso 1 1 calc R . .
C26 C 0.7413(4) 1.3381(7) 0.2527(4) 0.0384(16) Uani 1 1 d . A .
H15A H 0.7714 1.4200 0.2507 0.058 Uiso 1 1 calc R . .
H15B H 0.7294 1.2884 0.2090 0.058 Uiso 1 1 calc R . .
H15C H 0.7725 1.2806 0.2908 0.058 Uiso 1 1 calc R . .
C27 C 0.6129(4) 1.4623(6) 0.2036(4) 0.0378(16) Uani 1 1 d . A .
H27A H 0.6423 1.5434 0.1987 0.057 Uiso 1 1 calc R . .
H27B H 0.5640 1.4892 0.2119 0.057 Uiso 1 1 calc R . .
H27C H 0.6000 1.4084 0.1612 0.057 Uiso 1 1 calc R . .
C14 C 0.6034(3) 1.1499(6) 0.2184(3) 0.0223(12) Uani 1 1 d . . .
H14A H 0.6269 1.1606 0.1832 0.027 Uiso 1 1 calc R A .
C15 C 0.5580(3) 1.0356(5) 0.2173(3) 0.0201(12) Uani 1 1 d . A .
C16 C 0.5474(3) 0.9310(6) 0.1685(3) 0.0209(12) Uani 1 1 d . . .
H16A H 0.5716 0.9395 0.1337 0.025 Uiso 1 1 calc R A .
C3 C 0.5029(3) 0.8152(5) 0.1691(3) 0.0199(12) Uani 1 1 d . A .
C4 C 0.4697(3) 0.7964(6) 0.2234(3) 0.0247(13) Uani 1 1 d D . .
C5 C 0.4243(3) 0.6876(6) 0.2275(3) 0.0246(13) Uani 1 1 d . A .
H5A H 0.4152 0.6194 0.1930 0.029 Uiso 1 1 calc R . .
C19B C 0.4612(14) 0.9242(10) 0.2637(7) 0.0291(9) Uani 0.171(4) 1 d PD A 2
C20B C 0.3936(18) 1.013(4) 0.2141(17) 0.0291(9) Uani 0.171(4) 1 d PD A 2
H20D H 0.4091 1.0421 0.1745 0.044 Uiso 0.171(4) 1 calc PR A 2
H20E H 0.3847 1.0928 0.2390 0.044 Uiso 0.171(4) 1 calc PR A 2
H20F H 0.3448 0.9596 0.1976 0.044 Uiso 0.171(4) 1 calc PR A 2
C17B C 0.5392(12) 0.9997(19) 0.2837(13) 0.0291(9) Uani 0.171(4) 1 d PD A 2
C18B C 0.6085(19) 0.906(4) 0.3281(18) 0.0291(9) Uani 0.171(4) 1 d PD A 2
H18D H 0.6098 0.8230 0.3024 0.044 Uiso 0.171(4) 1 calc PR A 2
H18E H 0.5999 0.8834 0.3717 0.044 Uiso 0.171(4) 1 calc PR A 2
H18F H 0.6590 0.9543 0.3378 0.044 Uiso 0.171(4) 1 calc PR A 2
C19A C 0.5005(4) 0.8891(7) 0.2870(4) 0.0291(9) Uani 0.829(4) 1 d PD A 1
C20A C 0.5835(4) 0.8358(8) 0.3332(4) 0.0291(9) Uani 0.829(4) 1 d PD A 1
H20A H 0.6047 0.8958 0.3731 0.044 Uiso 0.829(4) 1 calc PR A 1
H20B H 0.6197 0.8342 0.3062 0.044 Uiso 0.829(4) 1 calc PR A 1
H20C H 0.5779 0.7440 0.3493 0.044 Uiso 0.829(4) 1 calc PR A 1
C17A C 0.5070(4) 1.0325(7) 0.2632(4) 0.0291(9) Uani 0.829(4) 1 d PD A 1
C18A C 0.4226(4) 1.0838(8) 0.2184(4) 0.0291(9) Uani 0.829(4) 1 d PD A 1
H18A H 0.4264 1.1773 0.2037 0.044 Uiso 0.829(4) 1 calc PR A 1
H18B H 0.3869 1.0803 0.2460 0.044 Uiso 0.829(4) 1 calc PR A 1
H18C H 0.4018 1.0259 0.1776 0.044 Uiso 0.829(4) 1 calc PR A 1
C29A C 0.4153(5) 0.9941(10) 0.4328(4) 0.0393(10) Uani 0.829(4) 1 d PD A 1
C30A C 0.3934(5) 1.1310(9) 0.4561(4) 0.0393(10) Uani 0.829(4) 1 d PD A 1
H30A H 0.3517 1.1184 0.4770 0.059 Uiso 0.829(4) 1 calc PR A 1
H30B H 0.3742 1.1914 0.4161 0.059 Uiso 0.829(4) 1 calc PR A 1
H30C H 0.4401 1.1711 0.4902 0.059 Uiso 0.829(4) 1 calc PR A 1
O1A O 0.4012(3) 0.8910(6) 0.4582(3) 0.0393(10) Uani 0.829(4) 1 d PD A 1
H10A H 0.5100 1.1764 0.4117 0.047 Uiso 0.83 1 d P A 1
C2 C 0.4932(3) 0.7143(6) 0.1155(3) 0.0213(12) Uani 1 1 d . . .
C1 C 0.4929(3) 0.6338(6) 0.0717(3) 0.0210(12) Uani 1 1 d . A .
C35 C 0.3695(4) 0.3918(7) 0.0835(3) 0.0303(14) Uani 1 1 d . . .
H35A H 0.4171 0.3487 0.1161 0.036 Uiso 1 1 calc R . .
H35B H 0.3663 0.4850 0.1002 0.036 Uiso 1 1 calc R . .
C36 C 0.2970(4) 0.3137(7) 0.0859(4) 0.0353(15) Uani 1 1 d . . .
H36A H 0.2943 0.3161 0.1329 0.053 Uiso 1 1 calc R . .
H36B H 0.3008 0.2195 0.0722 0.053 Uiso 1 1 calc R . .
H36C H 0.2492 0.3552 0.0540 0.053 Uiso 1 1 calc R . .
C31 C 0.3646(4) 0.2300(6) -0.0347(4) 0.0344(15) Uani 1 1 d . . .
H31A H 0.3107 0.2022 -0.0367 0.041 Uiso 1 1 calc R . .
H31B H 0.3671 0.2275 -0.0823 0.041 Uiso 1 1 calc R . .
C32 C 0.4240(4) 0.1310(7) 0.0098(4) 0.0449(18) Uani 1 1 d . . .
H32A H 0.4103 0.0390 -0.0081 0.067 Uiso 1 1 calc R . .
H32B H 0.4232 0.1357 0.0574 0.067 Uiso 1 1 calc R . .
H32C H 0.4770 0.1540 0.0089 0.067 Uiso 1 1 calc R . .
C33 C 0.2957(4) 0.4920(7) -0.0570(4) 0.0400(15) Uani 1 1 d . . .
H33A H 0.2929 0.4812 -0.1058 0.048 Uiso 1 1 calc R . .
H33B H 0.2476 0.4504 -0.0516 0.048 Uiso 1 1 calc R . .
C34 C 0.2965(4) 0.6476(7) -0.0397(5) 0.051(2) Uani 1 1 d . . .
H34A H 0.2487 0.6905 -0.0709 0.076 Uiso 1 1 calc R . .
H34B H 0.3434 0.6900 -0.0458 0.076 Uiso 1 1 calc R . .
H34C H 0.2978 0.6592 0.0082 0.076 Uiso 1 1 calc R . .
P1 P 0.38287(9) 0.40249(16) -0.00164(8) 0.0251(3) Uani 1 1 d . A .
Pt1 Pt 0.5000 0.5000 0.0000 0.01948(11) Uani 1 2 d S . .
C29B C 0.5169(15) 1.209(4) 0.4447(17) 0.0393(10) Uani 0.171(4) 1 d PD A 2
C30B C 0.4472(19) 1.229(5) 0.471(2) 0.0393(10) Uani 0.171(4) 1 d PD A 2
H30D H 0.4628 1.2886 0.5117 0.059 Uiso 0.171(4) 1 calc PR A 2
H30E H 0.4312 1.1405 0.4846 0.059 Uiso 0.171(4) 1 calc PR A 2
H30F H 0.4027 1.2689 0.4350 0.059 Uiso 0.171(4) 1 calc PR A 2
O1B O 0.5827(14) 1.253(3) 0.4725(12) 0.0393(10) Uani 0.171(4) 1 d PD A 2
H8A H 0.4302 0.9875 0.4143 0.047 Uiso 0.17 1 d P A 2
Cl1 Cl 0.4433(13) 1.4948(15) 0.5417(8) 0.112(6) Uani 0.20 1 d PD . 1
C37 C 0.503(7) 1.436(12) 0.497(6) 0.112(6) Uani 0.10 1 d PD . 1
H37A H 0.5400 1.3746 0.5308 0.134 Uiso 0.10 1 calc PR . 1
H37B H 0.4676 1.3761 0.4618 0.134 Uiso 0.10 1 calc PR . 1
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'
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
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C23 C21 C6 109.0(6) . .
C23 C21 C24 109.0(6) . .
C6 C21 C24 112.3(6) . .
C23 C21 C22 110.4(6) . .
C6 C21 C22 108.8(5) . .
C24 C21 C22 107.2(6) . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C7 C6 C5 119.5(5) . .
C7 C6 C21 121.9(5) . .
C5 C6 C21 118.6(5) . .
C6 C7 C8 122.5(5) . .
C6 C7 H7A 118.7 . .
C8 C7 H7A 118.7 . .
C7 C8 C9 125.0(5) . .
C7 C8 C19A 118.2(5) . .
C9 C8 C19A 115.9(5) . .
C7 C8 C19B 116.5(8) . .
C9 C8 C19B 115.1(6) . .
C8 C9 C10 120.7(5) . .
C8 C9 C29A 122.0(6) . .
C10 C9 C29A 117.2(6) . .
C8 C9 H8A 119.1 . .
C10 C9 H8A 120.2 . .
C11 C10 C9 123.1(6) . .
C11 C10 C29B 124.3(12) . .
C9 C10 C29B 112.3(12) . .
C11 C10 H10A 118.5 . .
C9 C10 H10A 118.4 . .
C10 C11 C12 124.0(6) . .
C10 C11 C17A 116.2(6) . .
C12 C11 C17A 118.8(5) . .
C10 C11 C17B 115.2(12) . .
C12 C11 C17B 118.7(11) . .
C13 C12 C11 122.5(5) . .
C13 C12 H12A 118.8 . .
C11 C12 H12A 118.8 . .
C12 C13 C14 119.3(5) . .
C12 C13 C25 121.7(5) . .
C14 C13 C25 118.9(5) . .
C27 C25 C28 107.7(5) . .
C27 C25 C26 109.8(5) . .
C28 C25 C26 108.0(5) . .
C27 C25 C13 107.9(5) . .
C28 C25 C13 112.9(5) . .
C26 C25 C13 110.5(5) . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C25 C26 H15A 109.5 . .
C25 C26 H15B 109.5 . .
H15A C26 H15B 109.5 . .
C25 C26 H15C 109.5 . .
H15A C26 H15C 109.5 . .
H15B C26 H15C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C15 C14 C13 122.7(5) . .
C15 C14 H14A 118.7 . .
C13 C14 H14A 118.7 . .
C14 C15 C16 123.6(5) . .
C14 C15 C17A 118.4(5) . .
C16 C15 C17A 117.3(5) . .
C14 C15 C17B 117.8(7) . .
C16 C15 C17B 116.0(6) . .
C3 C16 C15 122.8(5) . .
C3 C16 H16A 118.6 . .
C15 C16 H16A 118.6 . .
C16 C3 C4 119.6(5) . .
C16 C3 C2 118.9(5) . .
C4 C3 C2 121.4(5) . .
C5 C4 C3 123.7(5) . .
C5 C4 C19A 118.2(5) . .
C3 C4 C19A 117.0(5) . .
C5 C4 C19B 116.6(7) . .
C3 C4 C19B 116.5(6) . .
C4 C5 C6 123.5(5) . .
C4 C5 H5A 118.2 . .
C6 C5 H5A 118.2 . .
C17B C19B C4 107.8(9) . .
C17B C19B C8 107.1(17) . .
C4 C19B C8 111.3(6) . .
C17B C19B C20B 110.3(19) . .
C4 C19B C20B 107.5(18) . .
C8 C19B C20B 112.8(17) . .
C19B C20B H20D 109.5 . .
C19B C20B H20E 109.5 . .
H20D C20B H20E 109.5 . .
C19B C20B H20F 109.5 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
C11 C17B C19B 110.7(11) . .
C11 C17B C15 111.3(16) . .
C19B C17B C15 108.6(14) . .
C11 C17B C18B 109.0(19) . .
C19B C17B C18B 111(2) . .
C15 C17B C18B 106.7(18) . .
C17B C18B H18D 109.5 . .
C17B C18B H18E 109.5 . .
H18D C18B H18E 109.5 . .
C17B C18B H18F 109.5 . .
H18D C18B H18F 109.5 . .
H18E C18B H18F 109.5 . .
C17A C19A C4 109.2(6) . .
C17A C19A C8 109.5(6) . .
C4 C19A C8 111.7(5) . .
C17A C19A C20A 110.6(6) . .
C4 C19A C20A 108.6(6) . .
C8 C19A C20A 107.2(6) . .
C15 C17A C11 113.5(5) . .
C15 C17A C19A 110.2(5) . .
C11 C17A C19A 109.8(6) . .
C15 C17A C18A 106.9(6) . .
C11 C17A C18A 107.1(5) . .
C19A C17A C18A 109.2(6) . .
O1A C29A C9 122.1(8) . .
O1A C29A C30A 120.0(6) . .
C9 C29A C30A 117.9(7) . .
O1A C29A H8A 115.2 . .
C30A C29A H8A 124.7 . .
C1 C2 C3 173.4(6) . .
C2 C1 Pt1 176.3(5) . .
C36 C35 P1 115.7(4) . .
C36 C35 H35A 108.3 . .
P1 C35 H35A 108.3 . .
C36 C35 H35B 108.3 . .
P1 C35 H35B 108.3 . .
H35A C35 H35B 107.4 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C32 C31 P1 112.0(5) . .
C32 C31 H31A 109.2 . .
P1 C31 H31A 109.2 . .
C32 C31 H31B 109.2 . .
P1 C31 H31B 109.2 . .
H31A C31 H31B 107.9 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H34C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 P1 112.9(5) . .
C34 C33 H33A 109.0 . .
P1 C33 H33A 109.0 . .
C34 C33 H33B 109.0 . .
P1 C33 H33B 109.0 . .
H33A C33 H33B 107.8 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C31 P1 C33 102.0(3) . .
C31 P1 C35 103.6(3) . .
C33 P1 C35 105.5(3) . .
C31 P1 Pt1 116.7(2) . .
C33 P1 Pt1 113.3(2) . .
C35 P1 Pt1 114.2(2) . .
C1 Pt1 C1 180.0(2) 3_665 .
C1 Pt1 P1 90.73(15) 3_665 3_665
C1 Pt1 P1 89.27(15) . 3_665
C1 Pt1 P1 89.27(15) 3_665 .
C1 Pt1 P1 90.73(15) . .
P1 Pt1 P1 180.0 3_665 .
O1B C29B C30B 125(3) . .
O1B C29B C10 119(2) . .
C30B C29B C10 116(2) . .
O1B C29B H10A 116.4 . .
C30B C29B H10A 118.6 . .
C29B C30B H30D 109.5 . .
C29B C30B H30E 109.5 . .
H30D C30B H30E 109.5 . .
C29B C30B H30F 109.5 . .
H30D C30B H30F 109.5 . .
H30E C30B H30F 109.5 . .
C37 Cl1 C37 45(8) 3_686 .
Cl1 C37 Cl1 135(8) 3_686 .
Cl1 C37 H37A 103.5 3_686 .
Cl1 C37 H37A 103.5 . .
Cl1 C37 H37B 103.5 3_686 .
Cl1 C37 H37B 103.5 . .
H37A C37 H37B 105.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C23 C21 1.518(11) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C22 C21 1.543(9) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C21 C6 1.530(8) .
C21 C24 1.539(9) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C6 C7 1.386(9) .
C6 C5 1.416(8) .
C7 C8 1.396(8) .
C7 H7A 0.9500 .
C8 C9 1.403(8) .
C8 C19A 1.550(8) .
C8 C19B 1.554(9) .
C9 C10 1.412(9) .
C9 C29A 1.489(9) .
C9 H8A 0.9628 .
C10 C11 1.385(8) .
C10 C29B 1.68(3) .
C10 H10A 0.9715 .
C11 C12 1.398(8) .
C11 C17A 1.511(9) .
C11 C17B 1.513(10) .
C12 C13 1.382(8) .
C12 H12A 0.9500 .
C13 C14 1.416(8) .
C13 C25 1.535(8) .
C25 C27 1.526(9) .
C25 C28 1.530(9) .
C25 C26 1.535(8) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C26 H15A 0.9800 .
C26 H15B 0.9800 .
C26 H15C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C14 C15 1.385(8) .
C14 H14A 0.9500 .
C15 C16 1.405(8) .
C15 C17A 1.506(9) .
C15 C17B 1.54(3) .
C16 C3 1.395(8) .
C16 H16A 0.9500 .
C3 C4 1.431(8) .
C3 C2 1.450(8) .
C4 C5 1.365(8) .
C4 C19A 1.538(9) .
C4 C19B 1.541(10) .
C5 H5A 0.9500 .
C19B C17B 1.516(10) .
C19B C20B 1.569(11) .
C20B H20D 0.9800 .
C20B H20E 0.9800 .
C20B H20F 0.9800 .
C17B C18B 1.573(11) .
C18B H18D 0.9800 .
C18B H18E 0.9800 .
C18B H18F 0.9800 .
C19A C17A 1.514(9) .
C19A C20A 1.568(10) .
C20A H20A 0.9800 .
C20A H20B 0.9800 .
C20A H20C 0.9800 .
C17A C18A 1.573(10) .
C18A H18A 0.9800 .
C18A H18B 0.9800 .
C18A H18C 0.9800 .
C29A O1A 1.206(10) .
C29A C30A 1.527(12) .
C29A H8A 0.5320 .
C30A H30A 0.9800 .
C30A H30B 0.9800 .
C30A H30C 0.9800 .
C2 C1 1.197(8) .
C1 Pt1 2.007(5) .
C35 C36 1.521(8) .
C35 P1 1.837(6) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C31 C32 1.510(10) .
C31 P1 1.822(6) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.575(10) .
C33 P1 1.828(7) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
P1 Pt1 2.2945(16) .
Pt1 C1 2.007(5) 3_665
Pt1 P1 2.2945(16) 3_665
C29B O1B 1.207(11) .
C29B C30B 1.527(13) .
C29B H10A 0.7234 .
C30B H30D 0.9800 .
C30B H30E 0.9800 .
C30B H30F 0.9800 .
Cl1 C37 1.59(10) 3_686
Cl1 C37 1.710(10) .
C37 Cl1 1.59(10) 3_686
C37 H37A 0.9900 .
C37 H37B 0.9900 .
