#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/13/4071389.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_4071389
loop_
_publ_author_name
'Downing, Joanne H.'
'Floure, Joëlle'
'Heslop, Katie'
'Haddow, Mairi F.'
'Hopewell, Jonathan'
'Lusi, Matteo'
'Phetmung, Hirahataya'
'Orpen, A. Guy'
'Pringle, Paul G.'
'Pugh, Robert I.'
'Zambrano-Williams, Damaris'
_publ_section_title
;
 General Routes to Alkyl Phosphatrioxaadamantane Ligands
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3216
_journal_paper_doi               10.1021/om800141y
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C21 H36 Cl4 O6 P2 Pt'
_chemical_formula_weight         783.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 114.415(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0568(4)
_cell_length_b                   21.1776(6)
_cell_length_c                   12.7975(4)
_cell_measurement_temperature    100(2)
_cell_volume                     2975.43(19)
_computing_cell_refinement
;
 CrysAlis RED, Oxford Diffraction Ltd.,
 Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
 (compiled May  8 2007,13:10:02)
;
_computing_data_collection
;
 CrysAlis CCD, Oxford Diffraction Ltd.,
 Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
 (compiled May  8 2007,13:10:02)
;
_computing_data_reduction
;
 CrysAlis RED, Oxford Diffraction Ltd.,
 Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
 (compiled May  8 2007,13:10:02)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0585
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            65740
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    5.215
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.39303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May  8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1544
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.455
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.154
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.532(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         8380
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0326P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0578
_reflns_number_gt                7232
_reflns_number_total             8380
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800141y-file002.cif
_cod_data_source_block           jph222d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constrained' was replaced with
the value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        2975.43(16)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4071389
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
Pt1 Pt 0.95551(3) 0.993705(5) 0.92046(3) 0.01574(4) Uani 0.9661(8) 1 d P A 1
Pt2 Pt 0.9712(4) 0.98948(18) 1.1451(4) 0.0106(15) Uani 0.0339(8) 1 d P . 2
Cl1 Cl 0.84398(10) 1.03856(5) 1.01433(9) 0.0216(2) Uani 0.9661(8) 1 d P . .
Cl2 Cl 1.04799(10) 0.92680(5) 1.08085(9) 0.0233(2) Uani 0.9661(8) 1 d P . .
P1 P 0.85715(10) 1.05312(5) 0.76585(9) 0.0157(2) Uani 0.9661(8) 1 d P . .
H1 H 0.9035 1.0369 0.6856 0.024 Uiso 0.9661(8) 1 calc PR A 1
C1 C 1.2786(5) 1.0200(2) 0.9166(5) 0.0306(11) Uani 0.9661(8) 1 d P . .
H1A H 1.3660 1.0197 0.9479 0.046 Uiso 0.9661(8) 1 calc PR . .
H1B H 1.2524 1.0388 0.9708 0.046 Uiso 0.9661(8) 1 calc PR . .
H1C H 1.2474 1.0441 0.8468 0.046 Uiso 0.9661(8) 1 calc PR . .
C2 C 1.2312(4) 0.95290(19) 0.8915(4) 0.0219(9) Uani 0.9661(8) 1 d P A .
C3 C 1.2790(4) 0.90876(19) 0.9925(4) 0.0203(9) Uani 0.9661(8) 1 d P . .
H3A H 1.2459 0.9206 1.0471 0.024 Uiso 0.9661(8) 1 calc PR . .
H3B H 1.3670 0.9124 1.0304 0.024 Uiso 0.9661(8) 1 calc PR . .
C4 C 1.2445(4) 0.84051(19) 0.9547(4) 0.0225(9) Uani 0.9661(8) 1 d P . .
C5 C 1.2966(4) 0.7939(2) 1.0508(4) 0.0291(10) Uani 0.9661(8) 1 d P . .
H5A H 1.2722 0.7520 1.0217 0.044 Uiso 0.9661(8) 1 calc PR . .
H5B H 1.2671 0.8030 1.1083 0.044 Uiso 0.9661(8) 1 calc PR . .
H5C H 1.3838 0.7967 1.0840 0.044 Uiso 0.9661(8) 1 calc PR . .
C6 C 0.9165(4) 0.84224(19) 0.7580(4) 0.0243(10) Uani 0.9661(8) 1 d P . .
H6A H 0.9128 0.7976 0.7443 0.036 Uiso 0.9661(8) 1 calc PR . .
H6B H 0.8679 0.8638 0.6879 0.036 Uiso 0.9661(8) 1 calc PR . .
H6C H 0.8858 0.8513 0.8147 0.036 Uiso 0.9661(8) 1 calc PR . .
C7 C 1.0465(4) 0.86424(18) 0.8005(3) 0.0181(8) Uani 0.9661(8) 1 d P A .
C8 C 1.1043(5) 0.8513(2) 0.7159(4) 0.0254(12) Uani 0.9661(8) 1 d P . .
H8A H 1.0895 0.8078 0.6902 0.031 Uiso 0.9661(8) 1 calc PR . .
H8B H 1.0670 0.8784 0.6492 0.031 Uiso 0.9661(8) 1 calc PR . .
C9 C 1.2401(5) 0.8635(3) 0.7718(5) 0.0313(14) Uani 0.9661(8) 1 d P . .
C10 C 1.3047(5) 0.8475(3) 0.6956(5) 0.0378(15) Uani 0.9661(8) 1 d P . .
H10A H 1.3901 0.8563 0.7359 0.057 Uiso 0.9661(8) 1 calc PR . .
H10B H 1.2716 0.8726 0.6271 0.057 Uiso 0.9661(8) 1 calc PR . .
H10C H 1.2934 0.8036 0.6755 0.057 Uiso 0.9661(8) 1 calc PR . .
O1 O 1.2643(3) 0.92964(15) 0.8017(3) 0.0248(8) Uani 0.9661(8) 1 d P . .
O2 O 1.1150(3) 0.83132(12) 0.9048(2) 0.0204(6) Uani 0.9661(8) 1 d P . .
O3 O 1.2920(3) 0.82512(17) 0.8719(3) 0.0275(9) Uani 0.9661(8) 1 d P . .
P2 P 1.06137(10) 0.95080(5) 0.82956(10) 0.0164(2) Uani 0.9661(8) 1 d P . .
H2 H 1.0209 0.9806 0.7225 0.025 Uiso 0.9661(8) 1 calc PR A 1
C11 C 0.6489(4) 0.9761(2) 0.6783(4) 0.0304(11) Uani 0.9661(8) 1 d P . .
H11A H 0.5617 0.9736 0.6396 0.046 Uiso 0.9661(8) 1 calc PR A .
H11B H 0.6753 0.9569 0.7527 0.046 Uiso 0.9661(8) 1 calc PR . .
H11C H 0.6847 0.9542 0.6342 0.046 Uiso 0.9661(8) 1 calc PR . .
C12 C 0.6880(4) 1.04447(19) 0.6916(4) 0.0207(9) Uani 0.9661(8) 1 d P A .
C13 C 0.6488(4) 1.0780(2) 0.5775(4) 0.0234(11) Uani 0.9661(8) 1 d P . .
H13A H 0.6942 1.0616 0.5360 0.028 Uiso 0.9661(8) 1 calc PR A .
H13B H 0.5629 1.0705 0.5315 0.028 Uiso 0.9661(8) 1 calc PR . .
C14 C 0.6717(5) 1.1480(3) 0.5968(4) 0.0260(12) Uani 0.9661(8) 1 d P A .
C15 C 0.6242(5) 1.1861(3) 0.4854(5) 0.0396(16) Uani 0.9661(8) 1 d P . .
H15A H 0.6414 1.2300 0.5028 0.059 Uiso 0.9661(8) 1 calc PR A .
H15B H 0.5378 1.1801 0.4455 0.059 Uiso 0.9661(8) 1 calc PR . .
H15C H 0.6635 1.1719 0.4379 0.059 Uiso 0.9661(8) 1 calc PR . .
C16 C 0.9861(4) 1.1667(2) 0.8231(4) 0.0356(12) Uani 1 1 d . . .
H16A H 0.9832 1.2120 0.8250 0.053 Uiso 0.9661(8) 1 calc PR A .
H16B H 1.0274 1.1538 0.7766 0.053 Uiso 0.9661(8) 1 calc PR . .
H16C H 1.0291 1.1508 0.8997 0.053 Uiso 0.9661(8) 1 calc PR . .
C17 C 0.8576(4) 1.14065(19) 0.7727(3) 0.0226(9) Uani 0.9661(8) 1 d P A .
C18 C 0.7801(4) 1.16128(19) 0.8348(4) 0.0240(10) Uani 0.9661(8) 1 d P . .
H18A H 0.8122 1.1426 0.9108 0.029 Uiso 0.9661(8) 1 calc PR A .
H18B H 0.7846 1.2068 0.8437 0.029 Uiso 0.9661(8) 1 calc PR . .
C19 C 0.6511(5) 1.1423(2) 0.7717(4) 0.0321(12) Uani 0.9661(8) 1 d P A .
C20 C 0.5712(5) 1.1644(2) 0.8290(4) 0.0348(12) Uani 0.9661(8) 1 d P . .
H20A H 0.4889 1.1511 0.7846 0.052 Uiso 0.9661(8) 1 calc PR A .
H20B H 0.5742 1.2096 0.8345 0.052 Uiso 0.9661(8) 1 calc PR . .
H20C H 0.5998 1.1465 0.9046 0.052 Uiso 0.9661(8) 1 calc PR . .
O4 O 0.6345(3) 1.07488(14) 0.7594(3) 0.0289(7) Uani 0.9661(8) 1 d P . .
O5 O 0.7998(3) 1.16375(15) 0.6546(3) 0.0241(8) Uani 0.9661(8) 1 d P . .
O6 O 0.6052(3) 1.17166(18) 0.6604(3) 0.0301(9) Uani 0.9661(8) 1 d P . .
C21 C 0.4655(5) 0.7488(2) 0.5387(5) 0.0398(12) Uani 1 1 d . . .
H21A H 0.5046 0.7233 0.5007 0.048 Uiso 1 1 calc R . .
H21B H 0.4300 0.7204 0.5760 0.048 Uiso 1 1 calc R . .
Cl3 Cl 0.57585(14) 0.79591(7) 0.64323(13) 0.0537(4) Uani 1 1 d . . .
Cl4 Cl 0.34987(14) 0.79324(7) 0.43615(13) 0.0508(4) 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'
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
P1 Pt1 P2 88.65(4) . .
P1 Pt1 Cl1 91.07(4) . .
P2 Pt1 Cl1 179.66(6) . .
P1 Pt1 Cl2 176.25(5) . .
P2 Pt1 Cl2 92.42(4) . .
Cl1 Pt1 Cl2 87.85(4) . .
Cl2 Pt2 Cl1 109.0(2) . .
Cl2 Pt2 P2 129.5(2) . 2_575
Cl1 Pt2 P2 113.94(17) . 2_575
Cl2 Pt2 P1 117.63(17) . 2_575
Cl1 Pt2 P1 105.13(17) . 2_575
P2 Pt2 P1 75.28(12) 2_575 2_575
Pt2 Cl1 Pt1 79.42(12) . .
Pt2 Cl2 Pt1 79.90(13) . .
C17 P1 C12 95.9(2) . .
C17 P1 Pt1 122.14(14) . .
C12 P1 Pt1 117.69(14) . .
C17 P1 Pt2 112.34(17) . 2_574
C12 P1 Pt2 113.26(16) . 2_574
Pt1 P1 Pt2 96.49(10) . 2_574
C17 P1 H1 106.6 . .
C12 P1 H1 106.6 . .
Pt1 P1 H1 106.6 . .
Pt2 P1 H1 10.1 2_574 .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 109.7(3) . .
O1 C2 C1 106.4(3) . .
C3 C2 C1 115.1(4) . .
O1 C2 P2 105.6(3) . .
C3 C2 P2 108.3(3) . .
C1 C2 P2 111.3(3) . .
C2 C3 C4 111.0(4) . .
C2 C3 H3A 109.4 . .
C4 C3 H3A 109.4 . .
C2 C3 H3B 109.4 . .
C4 C3 H3B 109.4 . .
H3A C3 H3B 108.0 . .
O3 C4 O2 109.5(4) . .
O3 C4 C5 107.2(3) . .
O2 C4 C5 106.6(3) . .
O3 C4 C3 108.0(3) . .
O2 C4 C3 111.9(3) . .
C5 C4 C3 113.4(4) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 H6A 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C7 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O2 C7 C6 107.5(3) . .
O2 C7 C8 108.4(3) . .
C6 C7 C8 113.5(4) . .
O2 C7 P2 108.8(3) . .
C6 C7 P2 112.1(3) . .
C8 C7 P2 106.3(3) . .
C9 C8 C7 110.7(4) . .
C9 C8 H8A 109.5 . .
C7 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
O3 C9 O1 110.4(4) . .
O3 C9 C8 108.4(4) . .
O1 C9 C8 110.5(4) . .
O3 C9 C10 107.4(4) . .
O1 C9 C10 106.5(4) . .
C8 C9 C10 113.6(5) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 O1 C2 116.5(3) . .
C7 O2 C4 116.9(3) . .
C9 O3 C4 111.9(4) . .
C7 P2 C2 96.12(19) . .
C7 P2 Pt1 118.22(14) . .
C2 P2 Pt1 121.97(15) . .
C7 P2 Pt2 109.95(16) . 2_574
C2 P2 Pt2 111.24(17) . 2_574
Pt1 P2 Pt2 99.58(10) . 2_574
C7 P2 H2 106.4 . .
C2 P2 H2 106.4 . .
Pt1 P2 H2 106.4 . .
Pt2 P2 H2 6.8 2_574 .
C12 C11 H11A 109.5 . .
C12 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C12 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O4 C12 C11 107.6(3) . .
O4 C12 C13 109.6(3) . .
C11 C12 C13 112.6(4) . .
O4 C12 P1 108.5(3) . .
C11 C12 P1 112.1(3) . .
C13 C12 P1 106.5(3) . .
C14 C13 C12 109.9(4) . .
C14 C13 H13A 109.7 . .
C12 C13 H13A 109.7 . .
C14 C13 H13B 109.7 . .
C12 C13 H13B 109.7 . .
H13A C13 H13B 108.2 . .
O6 C14 O5 110.8(4) . .
O6 C14 C13 109.0(4) . .
O5 C14 C13 113.1(4) . .
O6 C14 C15 105.2(4) . .
O5 C14 C15 105.3(4) . .
C13 C14 C15 113.1(5) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C17 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O5 C17 C16 106.6(3) . .
O5 C17 C18 108.1(3) . .
C16 C17 C18 114.5(4) . .
O5 C17 P1 107.1(3) . .
C16 C17 P1 111.5(3) . .
C18 C17 P1 108.7(3) . .
C19 C18 C17 111.8(4) . .
C19 C18 H18A 109.3 . .
C17 C18 H18A 109.3 . .
C19 C18 H18B 109.3 . .
C17 C18 H18B 109.3 . .
H18A C18 H18B 107.9 . .
O6 C19 O4 109.9(4) . .
O6 C19 C18 108.0(4) . .
O4 C19 C18 113.3(4) . .
O6 C19 C20 106.6(4) . .
O4 C19 C20 105.9(4) . .
C18 C19 C20 112.9(4) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C12 O4 C19 115.8(3) . .
C14 O5 C17 113.8(3) . .
C19 O6 C14 109.4(3) . .
Cl4 C21 Cl3 112.7(3) . .
Cl4 C21 H21A 109.1 . .
Cl3 C21 H21A 109.1 . .
Cl4 C21 H21B 109.1 . .
Cl3 C21 H21B 109.1 . .
H21A C21 H21B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P1 2.2282(11) .
Pt1 P2 2.2439(12) .
Pt1 Cl1 2.3430(11) .
Pt1 Cl2 2.3605(11) .
Pt2 Cl2 1.981(4) .
Pt2 Cl1 2.027(4) .
Pt2 P2 2.497(4) 2_575
Pt2 P1 2.618(4) 2_575
P1 C17 1.856(4) .
P1 C12 1.869(4) .
P1 Pt2 2.618(4) 2_574
P1 H1 1.4000 .
C1 C2 1.517(6) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 O1 1.450(5) .
C2 C3 1.503(6) .
C2 P2 1.866(4) .
C3 C4 1.526(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 O3 1.434(5) .
C4 O2 1.435(5) .
C4 C5 1.498(6) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.505(6) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 O2 1.428(5) .
C7 C8 1.536(6) .
C7 P2 1.864(4) .
C8 C9 1.513(8) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O3 1.425(6) .
C9 O1 1.450(6) .
C9 C10 1.517(7) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
P2 Pt2 2.497(4) 2_574
P2 H2 1.4000 .
C11 C12 1.511(6) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 O4 1.431(5) .
C12 C13 1.513(6) .
C13 C14 1.509(7) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 O6 1.447(6) .
C14 O5 1.450(6) .
C14 C15 1.528(7) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.514(6) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 O5 1.463(5) .
C17 C18 1.520(6) .
C18 C19 1.481(7) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 O6 1.439(5) .
C19 O4 1.441(5) .
C19 C20 1.506(6) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 Cl4 1.743(6) .
C21 Cl3 1.756(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Cl2 Pt2 Cl1 Pt1 -16.67(15) . .
P2 Pt2 Cl1 Pt1 136.06(17) 2_575 .
P1 Pt2 Cl1 Pt1 -143.61(14) 2_575 .
P1 Pt1 Cl1 Pt2 -170.42(12) . .
P2 Pt1 Cl1 Pt2 156(10) . .
Cl2 Pt1 Cl1 Pt2 13.17(12) . .
Cl1 Pt2 Cl2 Pt1 16.52(15) . .
P2 Pt2 Cl2 Pt1 -130.6(2) 2_575 .
P1 Pt2 Cl2 Pt1 135.96(18) 2_575 .
P1 Pt1 Cl2 Pt2 -86.8(7) . .
P2 Pt1 Cl2 Pt2 166.74(12) . .
Cl1 Pt1 Cl2 Pt2 -13.47(13) . .
P2 Pt1 P1 C17 -122.13(18) . .
Cl1 Pt1 P1 C17 58.05(18) . .
Cl2 Pt1 P1 C17 131.3(7) . .
P2 Pt1 P1 C12 119.98(15) . .
Cl1 Pt1 P1 C12 -59.83(15) . .
Cl2 Pt1 P1 C12 13.4(7) . .
P2 Pt1 P1 Pt2 -0.58(10) . 2_574
Cl1 Pt1 P1 Pt2 179.61(10) . 2_574
Cl2 Pt1 P1 Pt2 -107.2(7) . 2_574
O1 C2 C3 C4 -50.0(4) . .
C1 C2 C3 C4 -169.9(4) . .
P2 C2 C3 C4 64.8(4) . .
C2 C3 C4 O3 57.6(4) . .
C2 C3 C4 O2 -63.0(4) . .
C2 C3 C4 C5 176.3(3) . .
O2 C7 C8 C9 -50.3(5) . .
C6 C7 C8 C9 -169.7(4) . .
P2 C7 C8 C9 66.5(4) . .
C7 C8 C9 O3 56.8(5) . .
C7 C8 C9 O1 -64.2(5) . .
C7 C8 C9 C10 176.2(4) . .
O3 C9 O1 C2 -52.4(5) . .
C8 C9 O1 C2 67.4(5) . .
C10 C9 O1 C2 -168.8(4) . .
C3 C2 O1 C9 48.4(5) . .
C1 C2 O1 C9 173.5(4) . .
P2 C2 O1 C9 -68.1(4) . .
C6 C7 O2 C4 174.0(3) . .
C8 C7 O2 C4 50.9(4) . .
P2 C7 O2 C4 -64.3(4) . .
O3 C4 O2 C7 -55.5(4) . .
C5 C4 O2 C7 -171.1(3) . .
C3 C4 O2 C7 64.3(4) . .
O1 C9 O3 C4 59.2(5) . .
C8 C9 O3 C4 -62.0(5) . .
C10 C9 O3 C4 174.9(4) . .
O2 C4 O3 C9 59.8(5) . .
C5 C4 O3 C9 175.1(4) . .
C3 C4 O3 C9 -62.3(5) . .
O2 C7 P2 C2 55.7(3) . .
C6 C7 P2 C2 174.6(3) . .
C8 C7 P2 C2 -60.9(3) . .
O2 C7 P2 Pt1 -75.7(3) . .
C6 C7 P2 Pt1 43.1(3) . .
C8 C7 P2 Pt1 167.7(2) . .
O2 C7 P2 Pt2 171.0(2) . 2_574
C6 C7 P2 Pt2 -70.2(3) . 2_574
C8 C7 P2 Pt2 54.4(3) . 2_574
O1 C2 P2 C7 59.6(3) . .
C3 C2 P2 C7 -57.8(3) . .
C1 C2 P2 C7 174.7(3) . .
O1 C2 P2 Pt1 -171.56(18) . .
C3 C2 P2 Pt1 71.0(3) . .
C1 C2 P2 Pt1 -56.5(3) . .
O1 C2 P2 Pt2 -54.6(3) . 2_574
C3 C2 P2 Pt2 -172.0(3) . 2_574
C1 C2 P2 Pt2 60.5(3) . 2_574
P1 Pt1 P2 C7 -118.29(15) . .
Cl1 Pt1 P2 C7 -84(7) . .
Cl2 Pt1 P2 C7 58.12(16) . .
P1 Pt1 P2 C2 123.19(16) . .
Cl1 Pt1 P2 C2 157(10) . .
Cl2 Pt1 P2 C2 -60.40(16) . .
P1 Pt1 P2 Pt2 0.62(10) . 2_574
Cl1 Pt1 P2 Pt2 34(7) . 2_574
Cl2 Pt1 P2 Pt2 177.02(10) . 2_574
C17 P1 C12 O4 -56.7(3) . .
Pt1 P1 C12 O4 74.5(3) . .
Pt2 P1 C12 O4 -174.1(2) 2_574 .
C17 P1 C12 C11 -175.3(3) . .
Pt1 P1 C12 C11 -44.1(3) . .
Pt2 P1 C12 C11 67.3(3) 2_574 .
C17 P1 C12 C13 61.2(3) . .
Pt1 P1 C12 C13 -167.6(2) . .
Pt2 P1 C12 C13 -56.2(3) 2_574 .
O4 C12 C13 C14 51.0(5) . .
C11 C12 C13 C14 170.6(4) . .
P1 C12 C13 C14 -66.2(4) . .
C12 C13 C14 O6 -58.3(5) . .
C12 C13 C14 O5 65.4(5) . .
C12 C13 C14 C15 -174.9(4) . .
C12 P1 C17 O5 -59.9(3) . .
Pt1 P1 C17 O5 172.0(2) . .
Pt2 P1 C17 O5 58.3(3) 2_574 .
C12 P1 C17 C16 -176.1(3) . .
Pt1 P1 C17 C16 55.8(4) . .
Pt2 P1 C17 C16 -57.9(3) 2_574 .
C12 P1 C17 C18 56.7(3) . .
Pt1 P1 C17 C18 -71.4(3) . .
Pt2 P1 C17 C18 174.9(3) 2_574 .
O5 C17 C18 C19 52.9(4) . .
C16 C17 C18 C19 171.5(3) . .
P1 C17 C18 C19 -63.0(4) . .
C17 C18 C19 O6 -60.1(4) . .
C17 C18 C19 O4 61.9(4) . .
C17 C18 C19 C20 -177.8(3) . .
C11 C12 O4 C19 -173.8(4) . .
C13 C12 O4 C19 -51.2(5) . .
P1 C12 O4 C19 64.8(4) . .
O6 C19 O4 C12 56.3(5) . .
C18 C19 O4 C12 -64.6(5) . .
C20 C19 O4 C12 171.2(4) . .
O6 C14 O5 C17 56.6(5) . .
C13 C14 O5 C17 -66.1(5) . .
C15 C14 O5 C17 169.9(4) . .
C16 C17 O5 C14 -174.4(4) . .
C18 C17 O5 C14 -50.9(5) . .
P1 C17 O5 C14 66.1(4) . .
O4 C19 O6 C14 -60.8(5) . .
C18 C19 O6 C14 63.3(5) . .
C20 C19 O6 C14 -175.1(4) . .
O5 C14 O6 C19 -61.8(5) . .
C13 C14 O6 C19 63.3(5) . .
C15 C14 O6 C19 -175.2(5) . .
