#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/28/4322807.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_4322807
loop_
_publ_author_name
'Jorge Forniés-Cámer'
'Anna M. Masdeu-Bultó'
'Carmen Claver'
'Christine J. Cardin'
_publ_section_title
;
 Mononuclear Platinum(II) and Palladium(II) Dithiolate Complexes as
 Chelate Metalloligands for Preparation of Heterobimetallic d8-d8
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2626
_journal_page_last               2632
_journal_paper_doi               10.1021/ic970557o
_journal_volume                  37
_journal_year                    1998
_chemical_formula_moiety         'C39.50 H37 Cl2 O4 P2 Pt Rh S2'
_chemical_formula_structural     '[(dppp)Pt(BDT)Rh(COD)]ClO4'
_chemical_formula_sum            'C39.5 H37 Cl2 O4 P2 Pt Rh S2'
_chemical_formula_weight         1070.65
_chemical_name_systematic
; 
(1,4-bis(diphenylphosphino)propane)platinum(II)(m-buthanodithiolate)
 (1,5-cyclooctadiene)rhodium(I)perchlorate
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 100.90(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.326(6)
_cell_length_b                   14.109(6)
_cell_length_c                   14.368(6)
_cell_measurement_reflns_used    702
_cell_measurement_temperature    293
_cell_measurement_theta_max      28
_cell_measurement_theta_min      0
_cell_volume                     4046(3)
_computing_cell_refinement       'XDS package'
_computing_data_collection       'XDS package'
_computing_data_reduction        'XDS package'
_computing_molecular_graphics    PLATON
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Mar Research image plate scanner'
_diffrn_measurement_method       'prophile data from theta/2theta 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  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11377
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.215
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_description       prism
_exptl_crystal_F_000             2100
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.467
_refine_diff_density_min         -1.783
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       0.0029(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.087
_refine_ls_goodness_of_fit_obs   1.127
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         6482
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_restrained_S_obs      1.127
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_obs          0.0380
_refine_ls_shift/esd_max         -0.087
_refine_ls_shift/esd_mean        0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0621P)²+7.1773P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1134
_refine_ls_wR_factor_obs         0.0990
_reflns_number_observed          5343
_reflns_number_total             18424
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic970557o_5.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0621P)^2^+7.1773P] 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^)+(0.0621P)^2^+7.1773P] 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        4046.2
_cod_original_sg_symbol_H-M      'P 1 21/c 1'
_cod_original_formula_sum        'C39.50 H37 Cl2 O4 P2 Pt Rh S2'
_cod_database_code               4322807
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.121832(10) 0.20369(2) 0.38691(2) 0.02867(12) Uani 1 d . .
Rh1 Rh 0.12839(2) 0.11620(4) 0.18647(3) 0.0329(2) Uani 1 d . .
S1 S 0.17611(9) 0.06765(12) 0.34152(12) 0.0396(4) Uani 1 d . .
S2 S 0.03872(8) 0.17582(14) 0.25120(13) 0.0449(4) Uani 1 d . .
P1 P 0.20770(8) 0.21864(11) 0.50952(12) 0.0313(4) Uani 1 d . .
P2 P 0.07239(8) 0.34313(12) 0.40810(12) 0.0354(4) Uani 1 d . .
Cl1 Cl 0.07352(11) 0.2584(2) 0.7668(2) 0.0775(7) Uani 1 d . .
C1 C 0.0746(4) 0.1226(5) 0.0442(5) 0.048(2) Uani 1 d . .
H1 H 0.0362(4) 0.1076(5) 0.0676(5) 0.071(5) Uiso 1 calc R .
C2 C 0.0998(4) 0.0497(6) -0.0148(5) 0.058(2) Uani 1 d . .
H2A H 0.0886(4) 0.0687(6) -0.0808(5) 0.062(6) Uiso 1 calc R .
H2B H 0.0771(4) -0.0098(6) -0.0084(5) 0.062(6) Uiso 1 calc R .
C3 C 0.1746(4) 0.0340(7) 0.0116(6) 0.061(2) Uani 1 d . .
H3A H 0.1848(4) -0.0302(7) -0.0050(6) 0.062(6) Uiso 1 calc R .
H3B H 0.1971(4) 0.0770(7) -0.0248(6) 0.062(6) Uiso 1 calc R .
C4 C 0.2014(3) 0.0496(6) 0.1160(6) 0.051(2) Uani 1 d . .
H4 H 0.2009(3) -0.0016(6) 0.1567(6) 0.071(5) Uiso 1 calc R .
C5 C 0.2263(3) 0.1339(6) 0.1546(6) 0.054(2) Uani 1 d . .
H5 H 0.2447(3) 0.1344(6) 0.2190(6) 0.071(5) Uiso 1 calc R .
C6 C 0.2263(5) 0.2257(7) 0.1015(7) 0.072(3) Uani 1 d . .
H6A H 0.2354(5) 0.2770(7) 0.1471(7) 0.062(6) Uiso 1 calc R .
H6B H 0.2627(5) 0.2242(7) 0.0664(7) 0.062(6) Uiso 1 calc R .
C7 C 0.1624(5) 0.2476(7) 0.0335(6) 0.067(2) Uani 1 d . .
H7A H 0.1579(5) 0.3157(7) 0.0257(6) 0.062(6) Uiso 1 calc R .
H7B H 0.1644(5) 0.2202(7) -0.0278(6) 0.062(6) Uiso 1 calc R .
C8 C 0.1023(4) 0.2096(5) 0.0674(5) 0.051(2) Uani 1 d . .
H8 H 0.0824(4) 0.2479(5) 0.1069(5) 0.071(5) Uiso 1 calc R .
C11 C 0.1362(5) -0.0378(6) 0.3795(6) 0.073(3) Uani 1 d . .
C12A C 0.0447(13) -0.0190(19) 0.3803(18) 0.089(7) Uiso 0.50 d P .
C12B C 0.0694(7) -0.0577(11) 0.3302(11) 0.047(3) Uiso 0.50 d P .
C13A C 0.0175(8) 0.0129(12) 0.3668(12) 0.045(4) Uiso 0.50 d P .
C13B C 0.0047(15) -0.0007(24) 0.3034(25) 0.120(9) Uiso 0.50 d P .
C14 C -0.0181(4) 0.0858(7) 0.2842(8) 0.073(3) Uani 1 d . .
C21 C 0.1992(4) 0.3058(5) 0.5988(5) 0.044(2) Uani 1 d . .
H21A H 0.1694(4) 0.2807(5) 0.6381(5) 0.062(6) Uiso 1 calc R .
H21B H 0.2427(4) 0.3155(5) 0.6390(5) 0.062(6) Uiso 1 calc R .
C22 C 0.1726(4) 0.4002(5) 0.5598(6) 0.048(2) Uani 1 d . .
H22A H 0.1953(4) 0.4184(5) 0.5090(6) 0.062(6) Uiso 1 calc R .
H22B H 0.1827(4) 0.4476(5) 0.6094(6) 0.062(6) Uiso 1 calc R .
C23 C 0.0978(4) 0.3992(5) 0.5226(5) 0.048(2) Uani 1 d . .
H23A H 0.0817(4) 0.4640(5) 0.5182(5) 0.062(6) Uiso 1 calc R .
H23B H 0.0762(4) 0.3666(5) 0.5681(5) 0.062(6) Uiso 1 calc R .
C31 C 0.2249(3) 0.1091(5) 0.5746(5) 0.0368(15) Uani 1 d . .
C32 C 0.1837(4) 0.0806(6) 0.6362(6) 0.057(2) Uani 1 d . .
H32 H 0.1487(4) 0.1191(6) 0.6464(6) 0.071(5) Uiso 1 calc R .
C33 C 0.1951(5) -0.0043(7) 0.6817(6) 0.068(2) Uani 1 d . .
H33 H 0.1679(5) -0.0223(7) 0.7239(6) 0.071(5) Uiso 1 calc R .
C34 C 0.2443(5) -0.0627(6) 0.6674(7) 0.071(3) Uani 1 d . .
H34 H 0.2504(5) -0.1208(6) 0.6985(7) 0.071(5) Uiso 1 calc R .
C35 C 0.2852(5) -0.0367(6) 0.6073(6) 0.062(2) Uani 1 d . .
H35 H 0.3198(5) -0.0767(6) 0.5983(6) 0.071(5) Uiso 1 calc R .
C36 C 0.2759(4) 0.0478(5) 0.5597(5) 0.049(2) Uani 1 d . .
H36 H 0.3036(4) 0.0644(5) 0.5176(5) 0.071(5) Uiso 1 calc R .
C41 C 0.2855(3) 0.2508(5) 0.4739(5) 0.0366(14) Uani 1 d . .
C42 C 0.3444(3) 0.2513(6) 0.5404(5) 0.049(2) Uani 1 d . .
H42 H 0.3443(3) 0.2345(6) 0.6030(5) 0.071(5) Uiso 1 calc R .
C43 C 0.4033(4) 0.2770(6) 0.5131(7) 0.065(2) Uani 1 d . .
H43 H 0.4428(4) 0.2780(6) 0.5580(7) 0.071(5) Uiso 1 calc R .
C44 C 0.4050(4) 0.3005(6) 0.4231(7) 0.056(2) Uani 1 d . .
H44 H 0.4455(4) 0.3161(6) 0.4057(7) 0.071(5) Uiso 1 calc R .
C45 C 0.3465(4) 0.3015(5) 0.3563(6) 0.051(2) Uani 1 d . .
H45 H 0.3473(4) 0.3191(5) 0.2942(6) 0.071(5) Uiso 1 calc R .
C46 C 0.2868(3) 0.2763(5) 0.3821(5) 0.042(2) Uani 1 d . .
H46 H 0.2473(3) 0.2766(5) 0.3371(5) 0.071(5) Uiso 1 calc R .
C51 C -0.0180(3) 0.3366(5) 0.3929(5) 0.044(2) Uani 1 d . .
C52 C -0.0609(4) 0.3788(6) 0.3189(6) 0.052(2) Uani 1 d . .
H52 H -0.0439(4) 0.4141(6) 0.2743(6) 0.071(5) Uiso 1 calc R .
C53 C -0.1289(4) 0.3687(7) 0.3110(7) 0.064(2) Uani 1 d . .
H53 H -0.1574(4) 0.3990(7) 0.2618(7) 0.071(5) Uiso 1 calc R .
C54 C -0.1554(4) 0.3161(8) 0.3726(8) 0.077(3) Uani 1 d . .
H54 H -0.2015(4) 0.3084(8) 0.3648(8) 0.071(5) Uiso 1 calc R .
C55 C -0.1134(4) 0.2740(8) 0.4470(8) 0.084(3) Uani 1 d . .
H55 H -0.1312(4) 0.2385(8) 0.4908(8) 0.071(5) Uiso 1 calc R .
C56 C -0.0445(4) 0.2840(7) 0.4573(7) 0.064(2) Uani 1 d . .
H56 H -0.0163(4) 0.2551(7) 0.5078(7) 0.071(5) Uiso 1 calc R .
C61 C 0.0916(3) 0.4298(5) 0.3231(5) 0.041(2) Uani 1 d . .
C62 C 0.0725(4) 0.5245(5) 0.3267(7) 0.065(2) Uani 1 d . .
H62 H 0.0484(4) 0.5444(5) 0.3720(7) 0.071(5) Uiso 1 calc R .
C63 C 0.0895(5) 0.5876(6) 0.2637(8) 0.077(3) Uani 1 d . .
H63 H 0.0767(5) 0.6507(6) 0.2662(8) 0.071(5) Uiso 1 calc R .
C64 C 0.1247(4) 0.5597(6) 0.1973(7) 0.062(2) Uani 1 d . .
H64 H 0.1370(4) 0.6039(6) 0.1557(7) 0.071(5) Uiso 1 calc R .
C65 C 0.1417(4) 0.4682(5) 0.1915(5) 0.048(2) Uani 1 d . .
H65 H 0.1639(4) 0.4488(5) 0.1437(5) 0.071(5) Uiso 1 calc R .
C66 C 0.1268(4) 0.4035(5) 0.2551(5) 0.044(2) Uani 1 d . .
H66 H 0.1408(4) 0.3409(5) 0.2522(5) 0.071(5) Uiso 1 calc R .
O1 O 0.0473(5) 0.2308(8) 0.6749(6) 0.120(3) Uani 1 d . .
O2A O 0.1431(6) 0.2450(10) 0.7974(8) 0.059(3) Uiso 0.50 d P .
O2B O 0.1285(10) 0.1907(14) 0.7939(14) 0.111(6) Uiso 0.50 d P .
O3A O 0.0399(8) 0.2747(13) 0.8464(13) 0.093(5) Uiso 0.50 d P .
O3B O 0.0279(8) 0.2245(13) 0.8189(12) 0.086(4) Uiso 0.50 d P .
O4 O 0.0844(7) 0.3595(9) 0.7569(9) 0.162(5) Uani 1 d . .
Cl2A Cl -0.0477(9) 0.4823(15) 0.0564(12) 0.145(7) Uani 0.50 d P .
Cl2B Cl 0.0338(7) 0.5521(11) -0.0644(14) 0.122(6) Uani 0.50 d P .
C100 C 0.0122(12) 0.4457(17) -0.0173(18) 0.096(7) Uani 0.50 d P .
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'
S S 0.1246 0.1234 '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'
Rh Rh -1.1178 0.9187 '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'
O O 0.0106 0.0060 '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 96.45(6) . . y
P1 Pt1 S2 173.78(6) . . y
P2 Pt1 S2 89.38(6) . . y
P1 Pt1 S1 87.63(6) . . y
P2 Pt1 S1 170.92(6) . . y
S2 Pt1 S1 86.29(6) . . y
P1 Pt1 Rh1 126.30(4) . . ?
P2 Pt1 Rh1 124.08(5) . . ?
S2 Pt1 Rh1 47.81(4) . . ?
S1 Pt1 Rh1 47.90(4) . . ?
C1 Rh1 C5 96.8(3) . . ?
C1 Rh1 C8 37.2(3) . . ?
C5 Rh1 C8 81.8(3) . . ?
C1 Rh1 C4 80.9(3) . . ?
C5 Rh1 C4 37.1(3) . . ?
C8 Rh1 C4 89.0(3) . . ?
C1 Rh1 S2 93.9(2) . . ?
C5 Rh1 S2 149.8(2) . . ?
C8 Rh1 S2 90.1(2) . . ?
C4 Rh1 S2 172.6(2) . . ?
C1 Rh1 S1 164.6(2) . . ?
C5 Rh1 S1 90.2(2) . . ?
C8 Rh1 S1 158.1(2) . . ?
C4 Rh1 S1 96.9(2) . . ?
S2 Rh1 S1 86.64(6) . . y
C1 Rh1 Pt1 139.1(2) . . ?
C5 Rh1 Pt1 110.5(2) . . ?
C8 Rh1 Pt1 116.1(2) . . ?
C4 Rh1 Pt1 138.4(2) . . ?
S2 Rh1 Pt1 47.98(4) . . ?
S1 Rh1 Pt1 48.14(4) . . ?
C11 S1 Rh1 113.1(3) . . ?
C11 S1 Pt1 108.8(4) . . ?
Rh1 S1 Pt1 83.96(5) . . y
C14 S2 Rh1 115.2(3) . . ?
C14 S2 Pt1 106.8(3) . . ?
Rh1 S2 Pt1 84.21(5) . . y
C31 P1 C21 104.5(3) . . ?
C31 P1 C41 105.5(3) . . ?
C21 P1 C41 103.7(3) . . ?
C31 P1 Pt1 111.8(2) . . ?
C21 P1 Pt1 117.1(2) . . ?
C41 P1 Pt1 113.2(2) . . ?
C23 P2 C51 103.9(3) . . ?
C23 P2 C61 104.8(3) . . ?
C51 P2 C61 107.1(3) . . ?
C23 P2 Pt1 116.5(2) . . ?
C51 P2 Pt1 114.0(2) . . ?
C61 P2 Pt1 109.7(2) . . ?
O3B Cl1 O1 104.1(9) . . ?
O3B Cl1 O2A 121.4(8) . . ?
O1 Cl1 O2A 116.2(7) . . ?
O3B Cl1 O4 121.5(9) . . ?
O1 Cl1 O4 102.7(6) . . ?
O2A Cl1 O4 89.9(8) . . ?
O3B Cl1 O3A 33.7(7) . . ?
O1 Cl1 O3A 129.9(8) . . ?
O2A Cl1 O3A 111.6(8) . . ?
O4 Cl1 O3A 91.4(9) . . ?
O3B Cl1 O2B 100.8(10) . . ?
O1 Cl1 O2B 101.9(10) . . ?
O2A Cl1 O2B 33.1(8) . . ?
O4 Cl1 O2B 122.8(10) . . ?
O3A Cl1 O2B 110.0(10) . . ?
C8 C1 C2 126.3(8) . . ?
C8 C1 Rh1 72.0(4) . . ?
C2 C1 Rh1 110.4(5) . . ?
C1 C2 C3 113.4(6) . . ?
C4 C3 C2 112.6(6) . . ?
C5 C4 C3 124.4(8) . . ?
C5 C4 Rh1 70.5(4) . . ?
C3 C4 Rh1 112.2(5) . . ?
C4 C5 C6 125.4(8) . . ?
C4 C5 Rh1 72.4(4) . . ?
C6 C5 Rh1 107.4(5) . . ?
C7 C6 C5 115.0(7) . . ?
C8 C7 C6 112.0(7) . . ?
C1 C8 C7 124.5(8) . . ?
C1 C8 Rh1 70.8(4) . . ?
C7 C8 Rh1 112.6(5) . . ?
C12B C11 S1 116.3(8) . . ?
C12B C11 C12A 35.6(9) . . ?
S1 C11 C12A 112.5(9) . . ?
C13A C12A C12B 124.3(36) . . ?
C13A C12A C13B 45.2(24) . . ?
C12B C12A C13B 80.1(24) . . ?
C13A C12A C11 143.7(33) . . ?
C12B C12A C11 49.5(14) . . ?
C13B C12A C11 119.7(23) . . ?
C12A C12B C11 94.9(18) . . ?
C12A C12B C13B 54.9(18) . . ?
C11 C12B C13B 135.3(17) . . ?
C12A C12B C13A 21.4(15) . . ?
C11 C12B C13A 109.6(12) . . ?
C13B C12B C13A 33.9(12) . . ?
C12A C13A C13B 101.6(36) . . ?
C12A C13A C12B 34.3(24) . . ?
C13B C13A C12B 68.2(24) . . ?
C12A C13A C14 144.4(30) . . ?
C13B C13A C14 53.6(23) . . ?
C12B C13A C14 112.4(12) . . ?
C13A C13B C12A 33.3(19) . . ?
C13A C13B C14 92.2(31) . . ?
C12A C13B C14 121.0(31) . . ?
C13A C13B C12B 77.9(25) . . ?
C12A C13B C12B 45.0(16) . . ?
C14 C13B C12B 142.5(25) . . ?
C13B C14 C13A 34.2(15) . . ?
C13B C14 S2 118.7(15) . . ?
C13A C14 S2 114.1(7) . . ?
C22 C21 P1 114.5(5) . . ?
C21 C22 C23 112.9(6) . . ?
C22 C23 P2 114.9(5) . . ?
C32 C31 C36 118.2(7) . . ?
C32 C31 P1 119.8(5) . . ?
C36 C31 P1 121.8(5) . . ?
C33 C32 C31 119.5(8) . . ?
C34 C33 C32 122.0(8) . . ?
C33 C34 C35 119.7(8) . . ?
C34 C35 C36 120.7(8) . . ?
C35 C36 C31 119.8(8) . . ?
C46 C41 C42 119.5(6) . . ?
C46 C41 P1 120.9(5) . . ?
C42 C41 P1 119.6(5) . . ?
C43 C42 C41 119.3(7) . . ?
C44 C43 C42 121.5(7) . . ?
C43 C44 C45 119.8(7) . . ?
C44 C45 C46 119.8(8) . . ?
C41 C46 C45 120.1(7) . . ?
C56 C51 C52 118.8(7) . . ?
C56 C51 P2 117.6(6) . . ?
C52 C51 P2 123.5(6) . . ?
C51 C52 C53 120.0(8) . . ?
C54 C53 C52 121.7(8) . . ?
C53 C54 C55 119.0(8) . . ?
C54 C55 C56 120.4(9) . . ?
C51 C56 C55 120.0(8) . . ?
C66 C61 C62 118.2(7) . . ?
C66 C61 P2 120.3(5) . . ?
C62 C61 P2 121.4(6) . . ?
C63 C62 C61 119.7(9) . . ?
C64 C63 C62 120.8(8) . . ?
C65 C64 C63 120.0(8) . . ?
C64 C65 C66 120.5(8) . . ?
C61 C66 C65 120.6(7) . . ?
O2B O2A Cl1 77.0(17) . . ?
O2A O2B Cl1 69.9(17) . . ?
O3B O3A Cl1 68.2(18) . . ?
O3A O3B Cl1 78.1(19) . . ?
Cl2B Cl2A C100 115.1(34) 3_565 3_565 ?
Cl2B Cl2A C100 60.8(31) 3_565 . ?
C100 Cl2A C100 62.0(17) 3_565 . ?
Cl2A Cl2B C100 101.7(34) 3_565 3_565 ?
Cl2A Cl2B C100 47.8(27) 3_565 . ?
C100 Cl2B C100 61.0(16) 3_565 . ?
Cl2A C100 Cl2B 132.3(21) 3_565 3_565 ?
Cl2A C100 C100 70.9(17) 3_565 3_565 ?
Cl2B C100 C100 62.5(16) 3_565 3_565 ?
Cl2A C100 Cl2B 17.1(12) 3_565 . ?
Cl2B C100 Cl2B 119.0(16) 3_565 . ?
C100 C100 Cl2B 56.5(15) 3_565 . ?
Cl2A C100 Cl2A 118.0(17) 3_565 . ?
Cl2B C100 Cl2A 17.5(11) 3_565 . ?
C100 C100 Cl2A 47.1(14) 3_565 . ?
Cl2B C100 Cl2A 103.1(16) . . ?
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 2.243(2) . y
Pt1 P2 2.256(2) . y
Pt1 S2 2.359(2) . y
Pt1 S1 2.366(2) . y
Pt1 Rh1 3.1592(5) . y
Rh1 C1 2.131(7) . ?
Rh1 C5 2.138(7) . ?
Rh1 C8 2.146(7) . ?
Rh1 C4 2.163(7) . ?
Rh1 S2 2.353(2) . y
Rh1 S1 2.357(2) . y
S1 C11 1.826(9) . ?
S2 C14 1.839(9) . ?
P1 C31 1.807(7) . ?
P1 C21 1.809(7) . ?
P1 C41 1.810(7) . ?
P2 C23 1.810(7) . ?
P2 C51 1.812(7) . ?
P2 C61 1.822(7) . ?
Cl1 O3B 1.38(2) . ?
Cl1 O1 1.383(8) . ?
Cl1 O2A 1.412(11) . ?
Cl1 O4 1.455(12) . ?
Cl1 O3A 1.46(2) . ?
Cl1 O2B 1.46(2) . ?
C1 C8 1.365(11) . ?
C1 C2 1.485(11) . ?
C2 C3 1.512(11) . ?
C3 C4 1.511(11) . ?
C4 C5 1.368(11) . ?
C5 C6 1.505(13) . ?
C6 C7 1.503(13) . ?
C7 C8 1.497(12) . ?
C11 C12B 1.44(2) . ?
C11 C12A 1.88(3) . ?
C12A C13A 0.71(3) . ?
C12A C12B 1.10(3) . ?
C12A C13B 1.27(4) . ?
C12B C13B 1.53(3) . ?
C12B C13A 1.61(2) . ?
C13A C13B 0.92(3) . ?
C13A C14 1.63(2) . ?
C13B C14 1.32(3) . ?
C21 C22 1.505(10) . ?
C22 C23 1.514(10) . ?
C31 C32 1.387(10) . ?
C31 C36 1.398(10) . ?
C32 C33 1.363(11) . ?
C33 C34 1.342(14) . ?
C34 C35 1.357(13) . ?
C35 C36 1.369(11) . ?
C41 C46 1.373(10) . ?
C41 C42 1.383(9) . ?
C42 C43 1.376(11) . ?
C43 C44 1.342(13) . ?
C44 C45 1.378(12) . ?
C45 C46 1.382(10) . ?
C51 C56 1.374(11) . ?
C51 C52 1.376(10) . ?
C52 C53 1.372(11) . ?
C53 C54 1.342(14) . ?
C54 C55 1.371(14) . ?
C55 C56 1.387(12) . ?
C61 C66 1.366(10) . ?
C61 C62 1.396(10) . ?
C62 C63 1.359(13) . ?
C63 C64 1.355(14) . ?
C64 C65 1.343(12) . ?
C65 C66 1.367(10) . ?
O2A O2B 0.82(2) . ?
O3A O3B 0.83(2) . ?
Cl2A Cl2B 0.56(3) 3_565 ?
Cl2A C100 1.42(3) 3_565 ?
Cl2A C100 1.83(3) . ?
Cl2B Cl2A 0.56(3) 3_565 ?
Cl2B C100 1.63(3) 3_565 ?
Cl2B C100 1.74(3) . ?
C100 Cl2A 1.42(3) 3_565 ?
C100 Cl2B 1.63(3) 3_565 ?
C100 C100 1.71(5) 3_565 ?
