#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:37:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178818 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/72/4107288.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_4107288
loop_
_publ_author_name
'Anette Yahav-Levi'
'Israel Goldberg'
'Arkadi Vigalok'
'Andrei N. Vedernikov'
_publ_section_title
;
 Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in
 Pt(IV) Complexes: Experimental and Theoretical Studies
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              724
_journal_page_last               731
_journal_paper_doi               10.1021/ja077258a
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         '3(C18 H24 F2 I2 P2 Pt)'
_chemical_formula_sum            'C54 H72 F6 I6 P6 Pt3'
_chemical_formula_weight         2367.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.27190(10)
_cell_length_b                   27.3060(3)
_cell_length_c                   15.1544(4)
_cell_measurement_reflns_used    7497
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      1.41
_cell_volume                     6733.4(2)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B.V.'
_computing_data_reduction        'Denzo & Scalepack'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 12.8
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. Phi & 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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0311
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            43435
_diffrn_reflns_theta_full        28.20
_diffrn_reflns_theta_max         28.20
_diffrn_reflns_theta_min         2.61
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.161
_exptl_absorpt_correction_T_max  0.4610
_exptl_absorpt_correction_T_min  0.1418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.336
_exptl_crystal_description       prisms
_exptl_crystal_F_000             4368
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.771
_refine_diff_density_min         -2.612
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         8265
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0389
_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)+(0.0384P)²+62.2470P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                7119
_reflns_number_total             8265
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja077258asi20070919_042657.cif
_cod_data_source_block           ar19
_cod_database_code               4107288
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, 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_group
Pt1 Pt 0.297950(14) 0.038171(9) 0.850254(16) 0.01911(7) Uani 1 1 d . .
Pt2 Pt 0.19155(2) 0.2500 0.49455(2) 0.02095(8) Uani 1 2 d S .
I1 I 0.24735(3) 0.084403(17) 0.70551(3) 0.02739(11) Uani 1 1 d . .
I2 I 0.34333(3) -0.007964(17) 0.99809(3) 0.02825(11) Uani 1 1 d . .
I3 I 0.19140(4) 0.34791(2) 0.49226(3) 0.04350(15) Uani 1 1 d . .
P1 P 0.39805(10) -0.00748(7) 0.77016(12) 0.0258(4) Uani 1 1 d . .
P2 P 0.40544(11) 0.09677(7) 0.86696(15) 0.0358(5) Uani 1 1 d . .
P3 P 0.23448(16) 0.2500 0.34393(15) 0.0255(5) Uani 1 2 d S .
P4 P 0.33413(14) 0.2500 0.52569(16) 0.0218(5) Uani 1 2 d S .
F1 F 0.0563(3) -0.13700(19) 0.7982(5) 0.072(2) Uani 1 1 d . .
F2 F 0.0480(4) 0.1687(2) 1.0570(4) 0.0752(19) Uani 1 1 d . .
F3 F 0.0874(4) 0.2500 0.8927(4) 0.0431(16) Uani 1 2 d S .
F4 F -0.1815(5) 0.2315(3) 0.3937(6) 0.045(3) Uani 0.50 1 d P .
C1 C 0.4966(4) 0.0213(3) 0.7960(6) 0.0409(19) Uani 1 1 d . .
H1A H 0.5146 0.0115 0.8558 0.049 Uiso 1 1 calc R .
H1B H 0.5388 0.0104 0.7532 0.049 Uiso 1 1 calc R .
C2 C 0.4870(5) 0.0775(3) 0.7915(6) 0.045(2) Uani 1 1 d . .
H2A H 0.4731 0.0875 0.7305 0.054 Uiso 1 1 calc R .
H2B H 0.5394 0.0934 0.8081 0.054 Uiso 1 1 calc R .
C3 C 0.4078(5) -0.0719(3) 0.7966(5) 0.0356(17) Uani 1 1 d . .
H3A H 0.4494 -0.0868 0.7583 0.053 Uiso 1 1 calc R .
H3B H 0.3549 -0.0883 0.7873 0.053 Uiso 1 1 calc R .
H3C H 0.4244 -0.0755 0.8584 0.053 Uiso 1 1 calc R .
C4 C 0.3977(5) -0.0070(3) 0.6500(5) 0.0395(19) Uani 1 1 d . .
H4A H 0.4462 -0.0244 0.6280 0.059 Uiso 1 1 calc R .
H4B H 0.3989 0.0270 0.6289 0.059 Uiso 1 1 calc R .
H4C H 0.3478 -0.0231 0.6283 0.059 Uiso 1 1 calc R .
C5 C 0.4596(5) 0.1016(3) 0.9719(6) 0.044(2) Uani 1 1 d . .
H5A H 0.5052 0.1248 0.9661 0.067 Uiso 1 1 calc R .
H5B H 0.4811 0.0694 0.9886 0.067 Uiso 1 1 calc R .
H5C H 0.4216 0.1132 1.0175 0.067 Uiso 1 1 calc R .
C6 C 0.3835(6) 0.1597(3) 0.8393(8) 0.069(4) Uani 1 1 d . .
H6A H 0.4327 0.1797 0.8492 0.104 Uiso 1 1 calc R .
H6B H 0.3386 0.1718 0.8766 0.104 Uiso 1 1 calc R .
H6C H 0.3673 0.1619 0.7771 0.104 Uiso 1 1 calc R .
C7 C 0.2097(4) -0.0166(2) 0.8305(4) 0.0230(13) Uani 1 1 d . .
C8 C 0.1605(4) -0.0340(3) 0.8999(5) 0.0289(15) Uani 1 1 d . .
H8 H 0.1627 -0.0180 0.9556 0.035 Uiso 1 1 calc R .
C9 C 0.1083(4) -0.0743(3) 0.8887(6) 0.043(2) Uani 1 1 d . .
H9 H 0.0758 -0.0861 0.9364 0.051 Uiso 1 1 calc R .
C10 C 0.1050(4) -0.0963(3) 0.8081(7) 0.044(2) Uani 1 1 d . .
C11 C 0.1486(5) -0.0802(3) 0.7380(6) 0.0401(19) Uani 1 1 d . .
H11 H 0.1437 -0.0958 0.6823 0.048 Uiso 1 1 calc R .
C12 C 0.2012(4) -0.0401(2) 0.7487(5) 0.0272(14) Uani 1 1 d . .
H12 H 0.2318 -0.0285 0.6996 0.033 Uiso 1 1 calc R .
C13 C 0.2129(4) 0.0798(2) 0.9225(4) 0.0241(13) Uani 1 1 d . .
C14 C 0.1313(4) 0.0843(3) 0.8974(5) 0.0298(15) Uani 1 1 d . .
H14 H 0.1128 0.0667 0.8471 0.036 Uiso 1 1 calc R .
C15 C 0.0755(5) 0.1135(3) 0.9428(5) 0.0400(18) Uani 1 1 d . .
H15 H 0.0198 0.1152 0.9246 0.048 Uiso 1 1 calc R .
C16 C 0.1021(6) 0.1394(3) 1.0136(6) 0.050(2) Uani 1 1 d . .
C17 C 0.1804(7) 0.1359(4) 1.0434(6) 0.060(3) Uani 1 1 d . .
H17 H 0.1974 0.1536 1.0943 0.072 Uiso 1 1 calc R .
C18 C 0.2356(6) 0.1060(3) 0.9979(5) 0.044(2) Uani 1 1 d . .
H18 H 0.2905 0.1034 1.0188 0.053 Uiso 1 1 calc R .
C19 C 0.3871(8) 0.2629(5) 0.4230(10) 0.033(4) Uani 0.50 1 d P 1
H19A H 0.3533 0.2785 0.3766 0.039 Uiso 0.50 1 calc PR 1
H19B H 0.4417 0.2785 0.4292 0.039 Uiso 0.50 1 calc PR 1
C19' C 0.3427(9) 0.2352(5) 0.3447(10) 0.040(4) Uani 0.50 1 d P 2
H19C H 0.3634 0.2195 0.3992 0.048 Uiso 0.50 1 calc PR 2
H19D H 0.3640 0.2195 0.2904 0.048 Uiso 0.50 1 calc PR 2
C20 C 0.3769(9) 0.2074(6) 0.6066(10) 0.034(3) Uiso 0.50 1 d P 1
H20A H 0.4370 0.2088 0.6045 0.050 Uiso 0.50 1 calc PR 1
H20B H 0.3586 0.1740 0.5928 0.050 Uiso 0.50 1 calc PR 1
H20C H 0.3579 0.2164 0.6657 0.050 Uiso 0.50 1 calc PR 1
C20' C 0.3807(9) 0.1923(5) 0.5590(10) 0.030(3) Uiso 0.50 1 d P 2
H20D H 0.4395 0.1972 0.5695 0.045 Uiso 0.50 1 calc PR 2
H20E H 0.3731 0.1680 0.5122 0.045 Uiso 0.50 1 calc PR 2
H20F H 0.3545 0.1806 0.6133 0.045 Uiso 0.50 1 calc PR 2
C21 C 0.2348(12) 0.1933(7) 0.2782(10) 0.039(4) Uani 0.50 1 d P 1
H21A H 0.2618 0.1994 0.2215 0.059 Uiso 0.50 1 calc PR 1
H21B H 0.1781 0.1826 0.2680 0.059 Uiso 0.50 1 calc PR 1
H21C H 0.2647 0.1677 0.3103 0.059 Uiso 0.50 1 calc PR 1
C21' C 0.1851(13) 0.2076(7) 0.2690(11) 0.047(5) Uani 0.50 1 d P 2
H21D H 0.1918 0.2191 0.2083 0.070 Uiso 0.50 1 calc PR 2
H21E H 0.1264 0.2054 0.2832 0.070 Uiso 0.50 1 calc PR 2
H21F H 0.2103 0.1751 0.2751 0.070 Uiso 0.50 1 calc PR 2
C22 C 0.1587(5) 0.2500 0.6294(5) 0.0222(18) Uani 1 2 d S .
C23 C 0.1046(8) 0.2894(5) 0.6634(9) 0.026(3) Uani 0.50 1 d P 1
H23 H 0.0851 0.3142 0.6247 0.031 Uiso 0.50 1 d PR 1
C24 C 0.0825(9) 0.2898(5) 0.7526(9) 0.033(3) Uani 0.50 1 d P 1
H24 H 0.0497 0.3152 0.7770 0.039 Uiso 0.50 1 d PR 1
C23' C 0.1886(8) 0.2193(5) 0.6878(8) 0.022(3) Uani 0.50 1 d P 2
H23' H 0.2280 0.1961 0.6680 0.026 Uiso 0.50 1 d PR 2
C24' C 0.1656(9) 0.2178(5) 0.7778(9) 0.028(3) Uani 0.50 1 d P 2
H24' H 0.1891 0.1946 0.8172 0.034 Uiso 0.50 1 d PR 2
C25 C 0.1120(7) 0.2500 0.8061(6) 0.035(2) Uani 1 2 d S .
C26 C 0.0672(6) 0.2500 0.4617(7) 0.057(4) Uani 1 2 d S .
C27 C 0.0062(8) 0.2336(5) 0.5058(9) 0.026(3) Uani 0.50 1 d P 1
H27 H 0.0189 0.2189 0.5610 0.031 Uiso 0.50 1 d PR 1
C28 C -0.0763(8) 0.2355(5) 0.4831(9) 0.034(4) Uani 0.50 1 d P 1
H28 H -0.1158 0.2161 0.5135 0.041 Uiso 0.50 1 d PR 1
C29 C -0.0997(8) 0.2659(5) 0.4147(9) 0.027(3) Uani 0.50 1 d P 1
C27' C 0.0391(8) 0.2103(5) 0.3923(8) 0.026(3) Uani 0.50 1 d P 2
H27' H 0.0784 0.1889 0.3666 0.032 Uiso 0.50 1 d PR 2
C28' C -0.0433(9) 0.2070(5) 0.3687(10) 0.033(3) Uani 0.50 1 d P 2
H28' H -0.0603 0.1865 0.3216 0.040 Uiso 0.50 1 d PR 2
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
C7 Pt1 C13 90.5(3) . .
C7 Pt1 P2 175.76(19) . .
C13 Pt1 P2 93.7(2) . .
C7 Pt1 P1 91.28(18) . .
C13 Pt1 P1 178.12(19) . .
P2 Pt1 P1 84.48(7) . .
C7 Pt1 I1 90.49(18) . .
C13 Pt1 I1 88.25(17) . .
P2 Pt1 I1 89.78(5) . .
P1 Pt1 I1 92.28(4) . .
C7 Pt1 I2 88.45(18) . .
C13 Pt1 I2 89.99(17) . .
P2 Pt1 I2 91.41(5) . .
P1 Pt1 I2 89.51(4) . .
I1 Pt1 I2 177.937(17) . .
C26 Pt2 C22 89.2(4) . .
C26 Pt2 P4 177.7(3) . .
C22 Pt2 P4 93.1(2) . .
C26 Pt2 P3 93.2(3) . .
C22 Pt2 P3 177.6(2) . .
P4 Pt2 P3 84.49(9) . .
C26 Pt2 I3 89.770(16) . .
C22 Pt2 I3 90.705(12) . .
P4 Pt2 I3 90.201(16) . .
P3 Pt2 I3 89.305(12) . .
C26 Pt2 I3 89.769(16) . 8_565
C22 Pt2 I3 90.704(12) . 8_565
P4 Pt2 I3 90.202(15) . 8_565
P3 Pt2 I3 89.306(12) . 8_565
I3 Pt2 I3 178.51(3) . 8_565
C3 P1 C4 103.2(4) . .
C3 P1 C1 107.1(4) . .
C4 P1 C1 102.3(4) . .
C3 P1 Pt1 117.1(2) . .
C4 P1 Pt1 120.2(3) . .
C1 P1 Pt1 105.4(3) . .
C6 P2 C5 103.3(5) . .
C6 P2 C2 105.8(5) . .
C5 P2 C2 102.4(4) . .
C6 P2 Pt1 118.0(3) . .
C5 P2 Pt1 119.7(3) . .
C2 P2 Pt1 105.8(3) . .
C19' P3 C19' 25.8(10) . 8_565
C19' P3 C21' 125.4(8) . 8_565
C19' P3 C21' 107.1(9) 8_565 8_565
C19' P3 C21' 107.1(9) . .
C19' P3 C21' 125.4(8) 8_565 .
C21' P3 C21' 79.6(14) 8_565 .
C19' P3 C21 100.8(8) . 8_565
C19' P3 C21 79.2(8) 8_565 8_565
C21' P3 C21 28.8(8) 8_565 8_565
C21' P3 C21 101.6(9) . 8_565
C19' P3 C21 79.2(8) . .
C19' P3 C21 100.8(8) 8_565 .
C21' P3 C21 101.6(9) 8_565 .
C21' P3 C21 28.8(8) . .
C21 P3 C21 114.5(10) 8_565 .
C19' P3 Pt2 106.2(5) . .
C19' P3 Pt2 106.2(5) 8_565 .
C21' P3 Pt2 118.0(6) 8_565 .
C21' P3 Pt2 118.0(6) . .
C21 P3 Pt2 121.2(5) 8_565 .
C21 P3 Pt2 121.2(5) . .
C19 P4 C19 22.4(8) . 8_565
C19 P4 C20' 82.6(6) . 8_565
C19 P4 C20' 102.0(6) 8_565 8_565
C19 P4 C20' 102.0(6) . .
C19 P4 C20' 82.6(6) 8_565 .
C20' P4 C20' 120.0(9) 8_565 .
C19 P4 C20 105.7(7) . 8_565
C19 P4 C20 121.2(7) 8_565 8_565
C20' P4 C20 26.4(6) 8_565 8_565
C20' P4 C20 101.9(7) . 8_565
C19 P4 C20 121.2(7) . .
C19 P4 C20 105.7(7) 8_565 .
C20' P4 C20 101.9(7) 8_565 .
C20' P4 C20 26.4(6) . .
C20 P4 C20 79.1(10) 8_565 .
C19 P4 Pt2 107.1(5) . .
C19 P4 Pt2 107.1(5) 8_565 .
C20' P4 Pt2 117.6(5) 8_565 .
C20' P4 Pt2 117.6(5) . .
C20 P4 Pt2 120.4(5) 8_565 .
C20 P4 Pt2 120.4(5) . .
F4 F4 C29 87.0(7) 8_565 8_565
F4 F4 C29 55.5(5) 8_565 .
C29 F4 C29 31.5(9) 8_565 .
C2 C1 P1 109.2(5) . .
C2 C1 H1A 109.8 . .
P1 C1 H1A 109.8 . .
C2 C1 H1B 109.8 . .
P1 C1 H1B 109.8 . .
H1A C1 H1B 108.3 . .
C1 C2 P2 109.4(5) . .
C1 C2 H2A 109.8 . .
P2 C2 H2A 109.8 . .
C1 C2 H2B 109.8 . .
P2 C2 H2B 109.8 . .
H2A C2 H2B 108.2 . .
P1 C3 H3A 109.5 . .
P1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
P1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
P1 C4 H4A 109.5 . .
P1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
P1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
P2 C5 H5A 109.5 . .
P2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
P2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
P2 C6 H6A 109.5 . .
P2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
P2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C12 C7 C8 116.8(6) . .
C12 C7 Pt1 121.4(5) . .
C8 C7 Pt1 121.6(5) . .
C9 C8 C7 121.4(7) . .
C9 C8 H8 119.3 . .
C7 C8 H8 119.3 . .
C10 C9 C8 118.6(7) . .
C10 C9 H9 120.7 . .
C8 C9 H9 120.7 . .
C11 C10 C9 122.7(7) . .
C11 C10 F1 118.8(9) . .
C9 C10 F1 118.5(8) . .
C10 C11 C12 119.1(8) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C7 C12 C11 121.4(7) . .
C7 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C14 C13 C18 115.5(7) . .
C14 C13 Pt1 122.5(5) . .
C18 C13 Pt1 122.0(5) . .
C13 C14 C15 122.7(7) . .
C13 C14 H14 118.6 . .
C15 C14 H14 118.6 . .
C16 C15 C14 118.9(8) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C15 C16 F2 119.0(9) . .
C15 C16 C17 121.9(8) . .
F2 C16 C17 119.2(8) . .
C16 C17 C18 118.7(8) . .
C16 C17 H17 120.7 . .
C18 C17 H17 120.7 . .
C13 C18 C17 122.3(8) . .
C13 C18 H18 118.9 . .
C17 C18 H18 118.9 . .
C19 C19 P4 78.8(4) 8_565 .
C19 C19 H19A 115.4 8_565 .
P4 C19 H19A 115.4 . .
C19 C19 H19B 115.4 8_565 .
P4 C19 H19B 115.4 . .
H19A C19 H19B 112.5 . .
C19' C19' P3 77.1(5) 8_565 .
C19' C19' H19C 115.7 8_565 .
P3 C19' H19C 115.7 . .
C19' C19' H19D 115.7 8_565 .
P3 C19' H19D 115.7 . .
H19C C19' H19D 112.7 . .
P4 C20 H20A 109.5 . .
P4 C20 H20B 109.5 . .
P4 C20 H20C 109.5 . .
P4 C20' H20D 109.5 . .
P4 C20' H20E 109.5 . .
H20D C20' H20E 109.5 . .
P4 C20' H20F 109.5 . .
H20D C20' H20F 109.5 . .
H20E C20' H20F 109.5 . .
P3 C21 H21A 109.5 . .
P3 C21 H21B 109.5 . .
P3 C21 H21C 109.5 . .
P3 C21' H21D 109.5 . .
P3 C21' H21E 109.5 . .
H21D C21' H21E 109.5 . .
P3 C21' H21F 109.5 . .
H21D C21' H21F 109.5 . .
H21E C21' H21F 109.5 . .
C23' C22 C23' 79.5(13) 8_565 .
C23' C22 C23 61.4(8) 8_565 .
C23' C22 C23 116.7(10) . .
C23' C22 C23 116.7(10) 8_565 8_565
C23' C22 C23 61.4(8) . 8_565
C23 C22 C23 93.1(11) . 8_565
C23' C22 Pt2 123.9(7) 8_565 .
C23' C22 Pt2 123.9(7) . .
C23 C22 Pt2 119.1(6) . .
C23 C22 Pt2 119.1(6) 8_565 .
C24 C23 C22 119.6(11) . .
C24 C23 H23 120.4 . .
C22 C23 H23 120.0 . .
C23 C24 C25 116.9(12) . .
C23 C24 H24 121.7 . .
C25 C24 H24 121.4 . .
C22 C23' C24' 124.8(12) . .
C22 C23' C23' 50.3(7) . 8_565
C24' C23' C23' 91.7(8) . 8_565
C22 C23' H23' 117.7 . .
C24' C23' H23' 117.5 . .
C23' C23' H23' 131.8 8_565 .
C25 C24' C23' 118.1(11) . .
C25 C24' C24' 47.9(7) . 8_565
C23' C24' C24' 88.3(8) . 8_565
C25 C24' H24' 120.7 . .
C23' C24' H24' 121.2 . .
C24' C24' H24' 131.9 8_565 .
C24' C25 C24' 84.3(14) 8_565 .
C24' C25 F3 120.4(8) 8_565 .
C24' C25 F3 120.4(8) . .
C24' C25 C24 62.1(9) 8_565 .
C24' C25 C24 123.1(11) . .
F3 C25 C24 116.2(8) . .
C24' C25 C24 123.1(11) 8_565 8_565
C24' C25 C24 62.1(9) . 8_565
F3 C25 C24 116.2(8) . 8_565
C24 C25 C24 98.1(14) . 8_565
C27 C26 C27 41.0(12) 8_565 .
C27 C26 C27' 83.3(9) 8_565 8_565
C27 C26 C27' 111.4(10) . 8_565
C27 C26 C27' 111.4(10) 8_565 .
C27 C26 C27' 83.3(9) . .
C27' C26 C27' 86.8(10) 8_565 .
C27 C26 Pt2 129.0(8) 8_565 .
C27 C26 Pt2 129.0(8) . .
C27' C26 Pt2 116.1(7) 8_565 .
C27' C26 Pt2 116.1(7) . .
C27 C27 C26 69.5(6) 8_565 .
C27 C27 C28 87.9(8) 8_565 .
C26 C27 C28 127.5(12) . .
C27 C27 C28 58.7(7) 8_565 8_565
C26 C27 C28 110.4(10) . 8_565
C28 C27 C28 29.3(11) . 8_565
C27 C27 H27 115.1 8_565 .
C26 C27 H27 116.1 . .
C28 C27 H27 116.4 . .
C28 C27 H27 125.9 8_565 .
C28 C28 C29 91.9(10) 8_565 8_565
C28 C28 C29 53.0(8) 8_565 .
C29 C28 C29 38.9(12) 8_565 .
C28 C28 C27 92.1(8) 8_565 .
C29 C28 C27 124.5(14) 8_565 .
C29 C28 C27 118.4(12) . .
C28 C28 C27 58.7(7) 8_565 8_565
C29 C28 C27 120.1(13) 8_565 8_565
C29 C28 C27 94.3(11) . 8_565
C27 C28 C27 33.4(10) . 8_565
C28 C28 H28 123.7 8_565 .
C29 C28 H28 101.7 8_565 .
C29 C28 H28 120.7 . .
C27 C28 H28 120.9 . .
C27 C28 H28 138.1 8_565 .
C29 C29 C28 88.1(10) 8_565 8_565
C29 C29 F4 93.0(7) 8_565 8_565
C28 C29 F4 123.7(14) 8_565 8_565
C29 C29 C28 53.0(8) 8_565 .
C28 C29 C28 35.0(14) 8_565 .
F4 C29 C28 118.3(12) 8_565 .
C29 C29 F4 55.5(5) 8_565 .
C28 C29 F4 116.0(13) 8_565 .
F4 C29 F4 37.5(8) 8_565 .
C28 C29 F4 91.4(10) . .
C28' C27' C26 119.6(12) . .
C28' C27' H27' 120.3 . .
C26 C27' H27' 120.1 . .
C27' C28' H28' 120.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C7 2.095(6) .
Pt1 C13 2.098(6) .
Pt1 P2 2.3841(19) .
Pt1 P1 2.3834(18) .
Pt1 I1 2.6614(5) .
Pt1 I2 2.6742(5) .
Pt2 C26 2.084(10) .
Pt2 C22 2.113(8) .
Pt2 P4 2.367(2) .
Pt2 P3 2.387(2) .
Pt2 I3 2.6736(5) .
Pt2 I3 2.6738(5) 8_565
P1 C3 1.812(8) .
P1 C4 1.822(7) .
P1 C1 1.828(8) .
P2 C6 1.805(8) .
P2 C5 1.823(8) .
P2 C2 1.830(9) .
P3 C19' 1.806(15) .
P3 C19' 1.806(15) 8_565
P3 C21' 1.810(15) 8_565
P3 C21' 1.810(15) .
P3 C21 1.841(17) 8_565
P3 C21 1.841(17) .
P4 C19 1.813(14) .
P4 C19 1.813(14) 8_565
P4 C20' 1.820(14) 8_565
P4 C20' 1.820(14) .
P4 C20 1.828(15) 8_565
P4 C20 1.828(15) .
F1 C10 1.373(9) .
F2 C16 1.360(9) .
F3 C25 1.373(11) .
F4 F4 1.011(19) 8_565
F4 C29 1.369(14) 8_565
F4 C29 1.659(14) .
C1 C2 1.544(12) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C12 1.402(10) .
C7 C8 1.405(9) .
C8 C9 1.402(11) .
C8 H8 0.9500 .
C9 C10 1.363(13) .
C9 H9 0.9500 .
C10 C11 1.352(13) .
C11 C12 1.399(10) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.386(9) .
C13 C18 1.398(10) .
C14 C15 1.390(10) .
C14 H14 0.9500 .
C15 C16 1.355(12) .
C15 H15 0.9500 .
C16 C17 1.356(14) .
C17 C18 1.397(12) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C19 0.70(3) 8_565
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C19' C19' 0.81(3) 8_565
C19' H19C 0.9900 .
C19' H19D 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C20' H20D 0.9800 .
C20' H20E 0.9800 .
C20' H20F 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C21' H21D 0.9800 .
C21' H21E 0.9800 .
C21' H21F 0.9800 .
C22 C23' 1.311(13) 8_565
C22 C23' 1.311(13) .
C22 C23 1.483(14) .
C22 C23 1.483(14) 8_565
C23 C24 1.398(19) .
C23 H23 0.9501 .
C24 C25 1.438(15) .
C24 H24 0.9501 .
C23' C24' 1.416(18) .
C23' C23' 1.68(3) 8_565
C23' H23' 0.9509 .
C24' C25 1.310(15) .
C24' C24' 1.76(3) 8_565
C24' H24' 0.9503 .
C25 C24' 1.310(15) 8_565
C25 C24 1.438(15) 8_565
C26 C27 1.277(16) 8_565
C26 C27 1.277(16) .
C26 C27' 1.578(15) 8_565
C26 C27' 1.578(15) .
C27 C27 0.89(3) 8_565
C27 C28 1.387(18) .
C27 C28 1.623(18) 8_565
C27 H27 0.9507 .
C28 C28 0.79(3) 8_565
C28 C29 1.105(18) 8_565
C28 C29 1.382(18) .
C28 C27 1.623(18) 8_565
C28 H28 0.9511 .
C29 C29 0.87(2) 8_565
C29 C28 1.105(18) 8_565
C29 F4 1.369(14) 8_565
C27' C28' 1.390(19) .
C27' H27' 0.9497 .
C28' H28' 0.9504 .
