#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:34:36 +0100 (vie 25 de mar de 2016) $
#$Revision: 179977 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/71/7027154.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027154
loop_
_publ_author_name
'Polborn, Kurt'
'Severin, Kay'
_publ_contact_author
;
 Kay Severin 
 Institut für Anorganische Chemie
 Universität München
 Meiserstr. 1
 80333 München
 Bundesrepublik Deutschland
;
_publ_section_title
;
 A facile method for the synthesis of heterobimetallic chloro-bridged
 complexes containing (R3P)2MCl (M = Pt or Pd) fragments
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              759
_journal_paper_doi               10.1039/a808210c
_journal_year                    1999
_chemical_formula_moiety         'C50 H70 CL2 N2 P2 Pt Rh+   B F4-  C H2 Cl2'
_chemical_formula_sum            'C51 H72 B Cl4 F4 N2 P2 Pt Rh'
_chemical_formula_weight         1301.66
_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_date             2-02-98
_audit_creation_method           SHELXL
_audit_update_record             ' ?'
_cell_angle_alpha                103.631(13)
_cell_angle_beta                 93.331(15)
_cell_angle_gamma                103.126(13)
_cell_formula_units_Z            2
_cell_length_a                   13.072(2)
_cell_length_b                   15.041(2)
_cell_length_c                   15.622(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16
_cell_measurement_theta_min      9
_cell_volume                     2886.7(8)
_computing_cell_refinement       CAD4(Nonius,_1977)
_computing_data_collection       CAD4(Nonius,_1977)
_computing_data_reduction        process_MOLEN(Fair,_1990)
_computing_molecular_graphics    ZORTEP(Zsolnai,_1994)
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       Nonius_MACH3
_diffrn_measurement_method       ο-scan
_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  0.0099
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9416
_diffrn_reflns_theta_max         23.97
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        -2.5
_diffrn_standards_interval_time  7200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.993
_exptl_absorpt_correction_T_max  0.9998
_exptl_absorpt_correction_T_min  0.9120
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_description       plate
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.851
_refine_diff_density_min         -0.579
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.101
_refine_ls_goodness_of_fit_obs   1.099
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         9025
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.113
_refine_ls_restrained_S_obs      1.113
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_obs          0.0304
_refine_ls_shift/esd_max         -0.106
_refine_ls_shift/esd_mean        0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0474P)²+3.7516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0859
_refine_ls_wR_factor_obs         0.0805
_reflns_number_observed          8025
_reflns_number_total             9025
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            808210csup1.cif
_cod_data_source_block           severin1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+3.7516P] 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^)+(0.0474P)^2^+3.7516P] 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               7027154
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh1 Rh 0.28142(3) 0.17809(3) 0.44442(3) 0.04231(10) Uani 1 d . .
Pt1 Pt 0.238756(14) 0.349840(12) 0.325910(12) 0.03960(7) Uani 1 d . .
Cl1 Cl 0.37130(10) 0.34331(9) 0.43558(9) 0.0552(3) Uani 1 d . .
Cl2 Cl 0.12976(9) 0.23144(9) 0.38124(9) 0.0489(3) Uani 1 d . .
P1 P 0.36200(11) 0.47074(10) 0.30197(10) 0.0520(3) Uani 1 d . .
P2 P 0.10909(10) 0.34269(10) 0.22070(9) 0.0465(3) Uani 1 d . .
N1 N 0.3195(3) 0.1194(3) 0.3207(3) 0.0537(11) Uani 1 d . .
N2 N 0.2503(3) 0.2221(3) 0.5724(3) 0.0512(10) Uani 1 d . .
C1 C 0.2654(5) 0.1008(4) 0.2409(4) 0.067(2) Uani 1 d . .
H1 H 0.2007(5) 0.1164(4) 0.2371(4) 0.080 Uiso 1 calc R .
C2 C 0.3010(7) 0.0595(6) 0.1638(5) 0.089(2) Uani 1 d . .
H2 H 0.2603(7) 0.0472(6) 0.1096(5) 0.107 Uiso 1 calc R .
C3 C 0.3964(7) 0.0364(6) 0.1672(5) 0.096(2) Uani 1 d . .
H3 H 0.4211(7) 0.0092(6) 0.1152(5) 0.116 Uiso 1 calc R .
C4 C 0.4559(6) 0.0536(5) 0.2484(5) 0.080(2) Uani 1 d . .
C5 C 0.5557(7) 0.0315(6) 0.2643(7) 0.099(3) Uani 1 d . .
H5 H 0.5868(7) 0.0050(6) 0.2158(7) 0.119 Uiso 1 calc R .
C6 C 0.6054(6) 0.0472(5) 0.3451(7) 0.091(2) Uani 1 d . .
H6 H 0.6703(6) 0.0324(5) 0.3511(7) 0.109 Uiso 1 calc R .
C7 C 0.5620(5) 0.0861(4) 0.4225(5) 0.069(2) Uani 1 d . .
C8 C 0.6086(5) 0.1008(5) 0.5075(6) 0.080(2) Uani 1 d . .
H8 H 0.6728(5) 0.0856(5) 0.5166(6) 0.096 Uiso 1 calc R .
C9 C 0.5616(5) 0.1376(4) 0.5785(5) 0.074(2) Uani 1 d . .
H9 H 0.5949(5) 0.1476(4) 0.6354(5) 0.089 Uiso 1 calc R .
C10 C 0.4627(4) 0.1610(4) 0.5677(4) 0.0615(15) Uani 1 d . .
H10 H 0.4316(4) 0.1853(4) 0.6171(4) 0.074 Uiso 1 calc R .
C11 C 0.4142(4) 0.1478(3) 0.4847(4) 0.0513(13) Uani 1 d . .
C12 C 0.4647(4) 0.1099(4) 0.4122(4) 0.0566(14) Uani 1 d . .
C13 C 0.4135(4) 0.0940(4) 0.3254(4) 0.0564(13) Uani 1 d . .
C14 C 0.2762(5) 0.3096(4) 0.6273(4) 0.0609(14) Uani 1 d . .
H14 H 0.3111(5) 0.3597(4) 0.6062(4) 0.073 Uiso 1 calc R .
C15 C 0.2528(5) 0.3277(5) 0.7144(4) 0.076(2) Uani 1 d . .
H15 H 0.2725(5) 0.3889(5) 0.7507(4) 0.091 Uiso 1 calc R .
C16 C 0.2002(6) 0.2547(6) 0.7463(4) 0.083(2) Uani 1 d . .
H16 H 0.1840(6) 0.2664(6) 0.8044(4) 0.100 Uiso 1 calc R .
C17 C 0.1712(5) 0.1629(5) 0.6916(4) 0.066(2) Uani 1 d . .
C18 C 0.1150(6) 0.0801(6) 0.7168(5) 0.084(2) Uani 1 d . .
H18 H 0.0982(6) 0.0860(6) 0.7746(5) 0.101 Uiso 1 calc R .
C19 C 0.0866(5) -0.0045(6) 0.6588(5) 0.080(2) Uani 1 d . .
H19 H 0.0503(5) -0.0560(6) 0.6774(5) 0.096 Uiso 1 calc R .
C20 C 0.1103(4) -0.0186(4) 0.5690(4) 0.063(2) Uani 1 d . .
C21 C 0.0806(5) -0.1043(5) 0.5051(5) 0.071(2) Uani 1 d . .
H21 H 0.0424(5) -0.1578(5) 0.5196(5) 0.085 Uiso 1 calc R .
C22 C 0.1073(4) -0.1106(4) 0.4207(5) 0.067(2) Uani 1 d . .
H22 H 0.0849(4) -0.1681(4) 0.3784(5) 0.080 Uiso 1 calc R .
C23 C 0.1675(4) -0.0324(4) 0.3962(4) 0.0584(14) Uani 1 d . .
H23 H 0.1859(4) -0.0388(4) 0.3388(4) 0.070 Uiso 1 calc R .
C24 C 0.1992(4) 0.0537(3) 0.4576(4) 0.0485(12) Uani 1 d . .
C25 C 0.1693(4) 0.0603(4) 0.5433(4) 0.0494(12) Uani 1 d . .
C26 C 0.1973(4) 0.1495(4) 0.6047(4) 0.0533(13) Uani 1 d . .
C27 C 0.3883(4) 0.5646(4) 0.4035(4) 0.0592(14) Uani 1 d . .
H27A H 0.4156(4) 0.5417(4) 0.4510(4) 0.071 Uiso 1 calc R .
H27B H 0.4431(4) 0.6168(4) 0.3960(4) 0.071 Uiso 1 calc R .
C28 C 0.2931(5) 0.6015(4) 0.4316(4) 0.070(2) Uani 1 d . .
H28A H 0.2769(5) 0.6392(4) 0.3926(4) 0.084 Uiso 1 calc R .
H28B H 0.2325(5) 0.5484(4) 0.4249(4) 0.084 Uiso 1 calc R .
C29 C 0.3108(6) 0.6605(5) 0.5260(5) 0.081(2) Uani 1 d . .
H29A H 0.3738(6) 0.7116(5) 0.5332(5) 0.097 Uiso 1 calc R .
H29B H 0.3238(6) 0.6217(5) 0.5650(5) 0.097 Uiso 1 calc R .
C30 C 0.2196(7) 0.7019(6) 0.5542(6) 0.110(3) Uani 1 d . .
H30A H 0.2358(19) 0.7378(32) 0.6150(12) 0.132 Uiso 1 calc R .
H30B H 0.1571(12) 0.6519(6) 0.5480(35) 0.132 Uiso 1 calc R .
H30C H 0.2079(28) 0.7424(31) 0.5174(24) 0.132 Uiso 1 calc R .
C31 C 0.3429(5) 0.5256(5) 0.2124(5) 0.074(2) Uani 1 d . .
H31A H 0.3439(5) 0.4810(5) 0.1566(5) 0.089 Uiso 1 calc R .
H31B H 0.2733(5) 0.5382(5) 0.2121(5) 0.089 Uiso 1 calc R .
C32 C 0.4257(7) 0.6186(6) 0.2173(6) 0.108(3) Uani 1 d D .
H32A H 0.4962(7) 0.6098(6) 0.2278(6) 0.129 Uiso 1 calc R 1
H32B H 0.4160(7) 0.6677(6) 0.2666(6) 0.129 Uiso 1 calc R 1
C33 C 0.4154(19) 0.6500(12) 0.1301(10) 0.116(6) Uani 0.63(2) d PDU 1
H33A H 0.4393(19) 0.6080(12) 0.0827(10) 0.139 Uiso 0.63(2) calc PR 1
H33B H 0.3420(19) 0.6473(12) 0.1131(10) 0.139 Uiso 0.63(2) calc PR 1
C34 C 0.4828(18) 0.7511(13) 0.1449(14) 0.196(11) Uani 0.63(2) d PDU 1
H34A H 0.4622(85) 0.7915(24) 0.1947(67) 0.235 Uiso 0.63(2) calc PR 1
H34B H 0.4724(98) 0.7730(42) 0.0928(42) 0.235 Uiso 0.63(2) calc PR 1
H34C H 0.5561(20) 0.7522(22) 0.1565(103) 0.235 Uiso 0.63(2) calc PR 1
C33A C 0.4466(55) 0.6497(45) 0.1294(24) 0.233(35) Uani 0.37(2) d PDU 2
H33C H 0.3811(55) 0.6579(45) 0.1037(24) 0.279 Uiso 0.37(2) calc PR 2
H33D H 0.4973(55) 0.7107(45) 0.1445(24) 0.279 Uiso 0.37(2) calc PR 2
C34A C 0.4881(40) 0.5817(35) 0.0584(33) 0.250(28) Uani 0.37(2) d PDU 2
H34D H 0.5635(55) 0.5936(175) 0.0710(137) 0.300 Uiso 0.37(2) calc PR 2
H34E H 0.4710(252) 0.5911(181) 0.0012(42) 0.300 Uiso 0.37(2) calc PR 2
H34F H 0.4558(222) 0.5177(36) 0.0588(168) 0.300 Uiso 0.37(2) calc PR 2
C35 C 0.4874(4) 0.4402(5) 0.2881(5) 0.072(2) Uani 1 d . .
H35A H 0.5372(4) 0.4934(5) 0.2766(5) 0.086 Uiso 1 calc R .
H35B H 0.5144(4) 0.4305(5) 0.3434(5) 0.086 Uiso 1 calc R .
C36 C 0.4830(6) 0.3518(6) 0.2131(6) 0.106(3) Uani 1 d D .
H36A H 0.4349(6) 0.3548(6) 0.1648(6) 0.127 Uiso 1 calc R 1
H36B H 0.4474(6) 0.2987(6) 0.2346(6) 0.127 Uiso 1 calc R 1
C37 C 0.5780(15) 0.3216(28) 0.1692(21) 0.150(13) Uiso 0.37(2) d PD 1
H37A H 0.5665(15) 0.2536(28) 0.1568(21) 0.180 Uiso 0.37(2) calc PR 1
H37B H 0.5828(15) 0.3391(28) 0.1133(21) 0.180 Uiso 0.37(2) calc PR 1
C38 C 0.6820(17) 0.3694(18) 0.2303(16) 0.100(9) Uiso 0.37(2) d PD 1
H38A H 0.7395(17) 0.3500(18) 0.2021(16) 0.120 Uiso 0.37(2) calc PR 1
H38B H 0.6777(17) 0.3514(18) 0.2853(16) 0.120 Uiso 0.37(2) calc PR 1
H38C H 0.6939(17) 0.4368(18) 0.2419(16) 0.120 Uiso 0.37(2) calc PR 1
C37A C 0.5839(10) 0.3105(11) 0.2227(13) 0.110(6) Uiso 0.63(2) d PD 2
H37C H 0.6101(10) 0.3171(11) 0.2838(13) 0.132 Uiso 0.63(2) calc PR 2
H37D H 0.5733(10) 0.2458(11) 0.1881(13) 0.132 Uiso 0.63(2) calc PR 2
C38A C 0.6510(31) 0.3831(21) 0.1806(24) 0.267(17) Uiso 0.63(2) d PD 2
H38D H 0.7209(31) 0.3733(21) 0.1781(24) 0.320 Uiso 0.63(2) calc PR 2
H38E H 0.6551(31) 0.4458(21) 0.2157(24) 0.320 Uiso 0.63(2) calc PR 2
H38F H 0.6190(31) 0.3757(21) 0.1216(24) 0.320 Uiso 0.63(2) calc PR 2
C39 C 0.0561(5) 0.4465(4) 0.2401(4) 0.0612(14) Uani 1 d . .
H39A H 0.1138(5) 0.5016(4) 0.2448(4) 0.073 Uiso 1 calc R .
H39B H 0.0070(5) 0.4408(4) 0.1889(4) 0.073 Uiso 1 calc R .
C40 C -0.0001(5) 0.4630(4) 0.3221(4) 0.069(2) Uani 1 d . .
H40A H 0.0446(5) 0.4586(4) 0.3720(4) 0.083 Uiso 1 calc R .
H40B H -0.0647(5) 0.4134(4) 0.3134(4) 0.083 Uiso 1 calc R .
C41 C -0.0275(7) 0.5579(6) 0.3447(5) 0.096(2) Uani 1 d . .
H41A H 0.0372(7) 0.6074(6) 0.3536(5) 0.115 Uiso 1 calc R .
H41B H -0.0717(7) 0.5623(6) 0.2946(5) 0.115 Uiso 1 calc R .
C42 C -0.0829(8) 0.5749(7) 0.4244(6) 0.126(4) Uani 1 d . .
H42A H -0.0928(46) 0.6378(16) 0.4370(26) 0.151 Uiso 1 calc R .
H42B H -0.0414(25) 0.5678(46) 0.4739(11) 0.151 Uiso 1 calc R .
H42C H -0.1505(23) 0.5302(29) 0.4141(16) 0.151 Uiso 1 calc R .
C43 C -0.0048(4) 0.2441(4) 0.2138(4) 0.0544(13) Uani 1 d . .
H43A H 0.0194(4) 0.1866(4) 0.2042(4) 0.065 Uiso 1 calc R .
H43B H -0.0328(4) 0.2532(4) 0.2705(4) 0.065 Uiso 1 calc R .
C44 C -0.0949(4) 0.2302(5) 0.1411(4) 0.066(2) Uani 1 d . .
H44A H -0.1161(4) 0.2889(5) 0.1466(4) 0.080 Uiso 1 calc R .
H44B H -0.0704(4) 0.2135(5) 0.0834(4) 0.080 Uiso 1 calc R .
C45 C -0.1897(5) 0.1527(6) 0.1479(5) 0.087(2) Uani 1 d . .
H45A H -0.1665(5) 0.0961(6) 0.1488(5) 0.105 Uiso 1 calc R .
H45B H -0.2180(5) 0.1725(6) 0.2033(5) 0.105 Uiso 1 calc R .
C46 C -0.2760(6) 0.1302(7) 0.0718(6) 0.117(3) Uani 1 d . .
H46A H -0.3306(23) 0.0769(26) 0.0755(23) 0.140 Uiso 1 calc R .
H46B H -0.2470(11) 0.1155(42) 0.0166(6) 0.140 Uiso 1 calc R .
H46C H -0.3052(32) 0.1838(16) 0.0749(23) 0.140 Uiso 1 calc R .
C47 C 0.1470(5) 0.3257(4) 0.1089(3) 0.0612(14) Uani 1 d . .
H47A H 0.0841(5) 0.3131(4) 0.0674(3) 0.073 Uiso 1 calc R .
H47B H 0.1938(5) 0.3841(4) 0.1043(3) 0.073 Uiso 1 calc R .
C48 C 0.2019(6) 0.2461(6) 0.0811(4) 0.083(2) Uani 1 d . .
H48A H 0.1538(6) 0.1868(6) 0.0818(4) 0.100 Uiso 1 calc R .
H48B H 0.2630(6) 0.2566(6) 0.1240(4) 0.100 Uiso 1 calc R .
C49 C 0.2378(8) 0.2384(8) -0.0111(5) 0.124(3) Uani 1 d . .
H49A H 0.1765(8) 0.2278(8) -0.0537(5) 0.148 Uiso 1 calc R .
H49B H 0.2853(8) 0.2980(8) -0.0116(5) 0.148 Uiso 1 calc R .
C50 C 0.2935(10) 0.1600(10) -0.0410(7) 0.178(6) Uani 1 d . .
H50A H 0.3477(48) 0.1639(40) 0.0050(26) 0.213 Uiso 1 calc R .
H50B H 0.3249(62) 0.1667(38) -0.0939(35) 0.213 Uiso 1 calc R .
H50C H 0.2432(16) 0.0999(10) -0.0529(57) 0.213 Uiso 1 calc R .
B1 B 0.0067(10) -0.0192(9) 0.0413(8) 0.548(76) Uani 0.50 d PDU .
F1 F 0.0799(6) 0.0090(9) -0.0052(7) 0.338(7) Uani 1 d DU .
F2 F 0.0282(11) 0.0315(9) 0.1219(7) 0.181(5) Uani 0.50 d PDU .
F3 F 0.0004(15) -0.1050(9) 0.0446(10) 0.249(9) Uani 0.50 d PDU .
C51 C 0.1444(21) -0.2391(17) 0.1230(23) 0.210(17) Uani 0.431(7) d PDU 1
H51A H 0.1612(21) -0.2593(17) 0.0629(23) 0.252 Uiso 0.431(7) calc PR 1
H51B H 0.1057(21) -0.2941(17) 0.1401(23) 0.252 Uiso 0.431(7) calc PR 1
Cl3 Cl 0.0828(8) -0.1722(8) 0.1277(7) 0.189(5) Uani 0.431(7) d PDU 1
Cl4 Cl 0.2386(15) -0.1946(15) 0.1821(14) 0.334(10) Uani 0.431(7) d PDU 1
C51A C 0.0816(13) -0.2890(25) 0.2055(14) 0.228(14) Uani 0.569(7) d PDU 2
H51C H 0.0466(13) -0.3462(25) 0.2209(14) 0.274 Uiso 0.569(7) calc PR 2
H51D H 0.0533(13) -0.2380(25) 0.2372(14) 0.274 Uiso 0.569(7) calc PR 2
Cl3A Cl 0.0600(17) -0.3006(22) 0.1161(16) 0.568(17) Uani 0.569(7) d PDU 2
Cl4A Cl 0.1904(7) -0.2684(6) 0.2321(5) 0.184(3) Uani 0.569(7) d PDU 2
B2 B 0.1628(16) 0.4998(14) 0.9540(13) 0.179(14) Uani 0.50 d PDU .
F5 F 0.1625(15) 0.5809(11) 0.9391(11) 0.238(8) Uani 0.50 d PDU .
F6 F 0.0940(15) 0.4337(11) 0.9052(11) 0.241(8) Uani 0.50 d PDU .
F7 F 0.1517(15) 0.5089(12) 1.0366(9) 0.226(7) Uani 0.50 d PDU .
F8 F 0.2547(14) 0.4822(16) 0.9420(15) 0.339(14) Uani 0.50 d PDU .
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'
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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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_3
C11 Rh1 C24 89.1(2) .
C11 Rh1 N2 91.7(2) .
C24 Rh1 N2 81.9(2) .
C11 Rh1 N1 82.3(2) .
C24 Rh1 N1 93.1(2) .
N2 Rh1 N1 172.3(2) .
C11 Rh1 Cl2 171.64(15) .
C24 Rh1 Cl2 98.30(14) .
N2 Rh1 Cl2 93.08(12) .
N1 Rh1 Cl2 93.40(13) .
C11 Rh1 Cl1 95.11(14) .
C24 Rh1 Cl1 174.1(2) .
N2 Rh1 Cl1 93.79(13) .
N1 Rh1 Cl1 91.60(12) .
Cl2 Rh1 Cl1 77.77(4) .
P2 Pt1 P1 98.58(5) .
P2 Pt1 Cl2 92.70(5) .
P1 Pt1 Cl2 167.89(5) .
P2 Pt1 Cl1 175.18(5) .
P1 Pt1 Cl1 85.48(5) .
Cl2 Pt1 Cl1 83.46(4) .
Pt1 Cl1 Rh1 94.77(4) .
Pt1 Cl2 Rh1 95.33(4) .
C35 P1 C27 104.5(3) .
C35 P1 C31 104.0(3) .
C27 P1 C31 106.2(3) .
C35 P1 Pt1 111.3(2) .
C27 P1 Pt1 106.6(2) .
C31 P1 Pt1 122.8(2) .
C39 P2 C47 105.9(3) .
C39 P2 C43 104.9(3) .
C47 P2 C43 104.9(3) .
C39 P2 Pt1 114.0(2) .
C47 P2 Pt1 114.5(2) .
C43 P2 Pt1 111.7(2) .
C1 N1 C13 117.9(5) .
C1 N1 Rh1 129.8(4) .
C13 N1 Rh1 112.3(4) .
C14 N2 C26 117.6(5) .
C14 N2 Rh1 129.4(4) .
C26 N2 Rh1 113.0(4) .
N1 C1 C2 122.9(6) .
C3 C2 C1 119.9(7) .
C2 C3 C4 119.7(7) .
C3 C4 C13 117.6(6) .
C3 C4 C5 127.0(8) .
C13 C4 C5 115.3(8) .
C6 C5 C4 123.0(8) .
C5 C6 C7 121.8(7) .
C8 C7 C12 117.6(7) .
C8 C7 C6 124.0(7) .
C12 C7 C6 118.5(7) .
C9 C8 C7 120.6(6) .
C8 C9 C10 121.7(6) .
C11 C10 C9 119.5(7) .
C10 C11 C12 117.7(5) .
C10 C11 Rh1 130.6(5) .
C12 C11 Rh1 111.6(4) .
C7 C12 C11 122.9(6) .
C7 C12 C13 119.0(6) .
C11 C12 C13 118.1(5) .
N1 C13 C4 122.0(6) .
N1 C13 C12 115.6(5) .
C4 C13 C12 122.5(6) .
N2 C14 C15 122.6(6) .
C16 C15 C14 119.5(6) .
C15 C16 C17 120.1(6) .
C16 C17 C26 117.5(6) .
C16 C17 C18 125.6(6) .
C26 C17 C18 116.9(6) .
C19 C18 C17 121.4(6) .
C18 C19 C20 122.2(6) .
C21 C20 C25 117.4(6) .
C21 C20 C19 124.9(6) .
C25 C20 C19 117.8(6) .
C22 C21 C20 120.4(6) .
C21 C22 C23 121.9(6) .
C24 C23 C22 119.6(6) .
C23 C24 C25 118.3(5) .
C23 C24 Rh1 129.9(4) .
C25 C24 Rh1 111.8(4) .
C24 C25 C26 118.2(5) .
C24 C25 C20 122.4(5) .
C26 C25 C20 119.4(5) .
N2 C26 C17 122.8(5) .
N2 C26 C25 115.0(5) .
C17 C26 C25 122.2(5) .
C28 C27 P1 114.9(4) .
C29 C28 C27 112.9(5) .
C28 C29 C30 113.9(7) .
C32 C31 P1 115.1(5) .
C31 C32 C33 111.1(9) .
C31 C32 C33A 118.9(27) .
C34 C33 C32 108.9(13) .
C34A C33A C32 115.8(39) .
C36 C35 P1 115.0(5) .
C35 C36 C37 127.1(12) .
C35 C36 C37A 112.3(9) .
C38 C37 C36 110.7(17) .
C38A C37A C36 92.0(18) .
C40 C39 P2 114.9(4) .
C39 C40 C41 113.6(6) .
C42 C41 C40 114.3(7) .
C44 C43 P2 115.7(4) .
C45 C44 C43 110.9(5) .
C46 C45 C44 112.4(7) .
C48 C47 P2 114.8(4) .
C47 C48 C49 112.7(6) .
C50 C49 C48 114.3(8) .
F2 B1 F3 106.4(9) .
F2 B1 F1 110.0(10) .
F3 B1 F1 111.4(10) .
F2 B1 F1 110.4(10) 2
F3 B1 F1 112.4(10) 2
F1 B1 F1 106.2(9) 2
B1 F1 B1 73.8(9) 2
Cl3 C51 Cl4 107.4(10) .
C51 Cl3 Cl4 36.4(6) .
C51 Cl4 Cl3 36.2(6) .
Cl3A C51A Cl4A 112.0(11) .
C51A Cl3A Cl4A 34.5(6) .
C51A Cl4A Cl3A 33.6(6) .
F6 B2 F7 112.4(15) .
F6 B2 F5 113.1(15) .
F7 B2 F5 105.9(13) .
F6 B2 F8 108.2(14) .
F7 B2 F8 107.5(14) .
F5 B2 F8 109.4(14) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C11 1.996(5) .
Rh1 C24 1.998(5) .
Rh1 N2 2.047(4) .
Rh1 N1 2.067(4) .
Rh1 Cl2 2.5330(13) .
Rh1 Cl1 2.5356(13) .
Pt1 P2 2.2574(13) .
Pt1 P1 2.2588(14) .
Pt1 Cl2 2.3801(12) .
Pt1 Cl1 2.3997(13) .
P1 C35 1.811(6) .
P1 C27 1.813(6) .
P1 C31 1.816(6) .
P2 C39 1.818(6) .
P2 C47 1.820(5) .
P2 C43 1.824(5) .
N1 C1 1.332(7) .
N1 C13 1.370(7) .
N2 C14 1.346(7) .
N2 C26 1.373(7) .
C1 C2 1.377(9) .
C2 C3 1.369(11) .
C3 C4 1.386(11) .
C4 C13 1.416(9) .
C4 C5 1.441(11) .
C5 C6 1.328(11) .
C6 C7 1.423(11) .
C7 C8 1.374(10) .
C7 C12 1.408(8) .
C8 C9 1.363(10) .
C9 C10 1.427(8) .
C10 C11 1.359(8) .
C11 C12 1.413(8) .
C12 C13 1.418(8) .
C14 C15 1.389(8) .
C15 C16 1.372(10) .
C16 C17 1.396(10) .
C17 C26 1.399(8) .
C17 C18 1.447(9) .
C18 C19 1.334(10) .
C19 C20 1.432(9) .
C20 C21 1.389(9) .
C20 C25 1.418(7) .
C21 C22 1.371(9) .
C22 C23 1.406(8) .
C23 C24 1.375(7) .
C24 C25 1.404(7) .
C25 C26 1.409(8) .
C27 C28 1.520(8) .
C28 C29 1.505(9) .
C29 C30 1.507(10) .
C31 C32 1.545(9) .
C32 C33 1.551(11) .
C32 C33A 1.570(14) .
C33 C34 1.53(2) .
C33A C34A 1.53(2) .
C35 C36 1.539(10) .
C36 C37 1.558(14) .
C36 C37A 1.593(12) .
C37 C38 1.54(2) .
C37A C38A 1.54(2) .
C39 C40 1.512(8) .
C40 C41 1.517(9) .
C41 C42 1.475(11) .
C43 C44 1.530(7) .
C44 C45 1.524(9) .
C45 C46 1.510(9) .
C47 C48 1.524(9) .
C48 C49 1.528(9) .
C49 C50 1.519(13) .
B1 F2 1.286(11) .
B1 F3 1.287(11) .
B1 F1 1.290(11) .
B1 F1 1.292(11) 2
F1 B1 1.292(11) 2
C51 Cl3 1.417(14) .
C51 Cl4 1.421(13) .
Cl3 Cl4 2.29(2) .
C51A Cl3A 1.370(14) .
C51A Cl4A 1.402(13) .
Cl3A Cl4A 2.30(2) .
B2 F6 1.24(2) .
B2 F7 1.29(2) .
B2 F5 1.30(2) .
B2 F8 1.30(2) .
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
P2 Pt1 Cl1 Rh1 -14.9(6) . .
P1 Pt1 Cl1 Rh1 -162.39(6) . .
Cl2 Pt1 Cl1 Rh1 22.57(5) . .
C11 Rh1 Cl1 Pt1 154.1(2) . .
C24 Rh1 Cl1 Pt1 -70.4(14) . .
N2 Rh1 Cl1 Pt1 -113.85(12) . .
N1 Rh1 Cl1 Pt1 71.62(13) . .
Cl2 Rh1 Cl1 Pt1 -21.51(5) . .
P2 Pt1 Cl2 Rh1 154.44(5) . .
P1 Pt1 Cl2 Rh1 -46.9(2) . .
Cl1 Pt1 Cl2 Rh1 -22.62(5) . .
C11 Rh1 Cl2 Pt1 -10.3(11) . .
C24 Rh1 Cl2 Pt1 -162.8(2) . .
N2 Rh1 Cl2 Pt1 114.93(13) . .
N1 Rh1 Cl2 Pt1 -69.19(12) . .
Cl1 Rh1 Cl2 Pt1 21.72(5) . .
P2 Pt1 P1 C35 -128.3(2) . .
Cl2 Pt1 P1 C35 73.2(3) . .
Cl1 Pt1 P1 C35 49.0(2) . .
P2 Pt1 P1 C27 118.3(2) . .
Cl2 Pt1 P1 C27 -40.1(3) . .
Cl1 Pt1 P1 C27 -64.3(2) . .
P2 Pt1 P1 C31 -4.2(3) . .
Cl2 Pt1 P1 C31 -162.7(3) . .
Cl1 Pt1 P1 C31 173.1(3) . .
P1 Pt1 P2 C39 -65.5(2) . .
Cl2 Pt1 P2 C39 110.1(2) . .
Cl1 Pt1 P2 C39 147.4(6) . .
P1 Pt1 P2 C47 56.7(2) . .
Cl2 Pt1 P2 C47 -127.8(2) . .
Cl1 Pt1 P2 C47 -90.5(6) . .
P1 Pt1 P2 C43 175.8(2) . .
Cl2 Pt1 P2 C43 -8.7(2) . .
Cl1 Pt1 P2 C43 28.6(6) . .
C11 Rh1 N1 C1 174.6(5) . .
C24 Rh1 N1 C1 85.9(5) . .
N2 Rh1 N1 C1 134.9(12) . .
Cl2 Rh1 N1 C1 -12.6(5) . .
Cl1 Rh1 N1 C1 -90.5(5) . .
C11 Rh1 N1 C13 -2.8(4) . .
C24 Rh1 N1 C13 -91.5(4) . .
N2 Rh1 N1 C13 -42.5(14) . .
Cl2 Rh1 N1 C13 170.0(3) . .
Cl1 Rh1 N1 C13 92.2(3) . .
C11 Rh1 N2 C14 92.9(5) . .
C24 Rh1 N2 C14 -178.2(5) . .
N1 Rh1 N2 C14 132.2(12) . .
Cl2 Rh1 N2 C14 -80.3(4) . .
Cl1 Rh1 N2 C14 -2.4(5) . .
C11 Rh1 N2 C26 -85.5(3) . .
C24 Rh1 N2 C26 3.3(3) . .
N1 Rh1 N2 C26 -46.2(14) . .
Cl2 Rh1 N2 C26 101.3(3) . .
Cl1 Rh1 N2 C26 179.2(3) . .
C13 N1 C1 C2 -1.5(9) . .
Rh1 N1 C1 C2 -178.7(5) . .
N1 C1 C2 C3 -0.5(12) . .
C1 C2 C3 C4 0.9(13) . .
C2 C3 C4 C13 0.8(11) . .
C2 C3 C4 C5 178.1(7) . .
C3 C4 C5 C6 -177.2(8) . .
C13 C4 C5 C6 0.2(11) . .
C4 C5 C6 C7 1.0(13) . .
C5 C6 C7 C8 177.8(7) . .
C5 C6 C7 C12 -1.2(10) . .
C12 C7 C8 C9 -0.3(9) . .
C6 C7 C8 C9 -179.3(6) . .
C7 C8 C9 C10 0.7(9) . .
C8 C9 C10 C11 -0.9(9) . .
C9 C10 C11 C12 0.6(7) . .
C9 C10 C11 Rh1 -176.5(4) . .
C24 Rh1 C11 C10 -86.2(5) . .
N2 Rh1 C11 C10 -4.3(5) . .
N1 Rh1 C11 C10 -179.4(5) . .
Cl2 Rh1 C11 C10 121.0(11) . .
Cl1 Rh1 C11 C10 89.7(5) . .
C24 Rh1 C11 C12 96.6(4) . .
N2 Rh1 C11 C12 178.5(4) . .
N1 Rh1 C11 C12 3.4(3) . .
Cl2 Rh1 C11 C12 -56.3(13) . .
Cl1 Rh1 C11 C12 -87.6(3) . .
C8 C7 C12 C11 0.1(8) . .
C6 C7 C12 C11 179.2(5) . .
C8 C7 C12 C13 -178.9(5) . .
C6 C7 C12 C13 0.2(8) . .
C10 C11 C12 C7 -0.3(8) . .
Rh1 C11 C12 C7 177.4(4) . .
C10 C11 C12 C13 178.7(5) . .
Rh1 C11 C12 C13 -3.6(6) . .
C1 N1 C13 C4 3.2(8) . .
Rh1 N1 C13 C4 -179.1(5) . .
C1 N1 C13 C12 -176.1(5) . .
Rh1 N1 C13 C12 1.6(6) . .
C3 C4 C13 N1 -2.8(9) . .
C5 C4 C13 N1 179.5(6) . .
C3 C4 C13 C12 176.4(6) . .
C5 C4 C13 C12 -1.2(9) . .
C7 C12 C13 N1 -179.6(5) . .
C11 C12 C13 N1 1.3(7) . .
C7 C12 C13 C4 1.0(8) . .
C11 C12 C13 C4 -178.0(5) . .
C26 N2 C14 C15 1.0(8) . .
Rh1 N2 C14 C15 -177.4(4) . .
N2 C14 C15 C16 -0.7(10) . .
C14 C15 C16 C17 0.3(10) . .
C15 C16 C17 C26 -0.3(10) . .
C15 C16 C17 C18 -179.4(7) . .
C16 C17 C18 C19 177.2(7) . .
C26 C17 C18 C19 -2.0(10) . .
C17 C18 C19 C20 0.3(11) . .
C18 C19 C20 C21 -178.3(6) . .
C18 C19 C20 C25 2.4(9) . .
C25 C20 C21 C22 -0.6(8) . .
C19 C20 C21 C22 -179.9(6) . .
C20 C21 C22 C23 1.9(9) . .
C21 C22 C23 C24 -1.4(9) . .
C22 C23 C24 C25 -0.2(8) . .
C22 C23 C24 Rh1 -178.5(4) . .
C11 Rh1 C24 C23 -92.4(5) . .
N2 Rh1 C24 C23 175.7(5) . .
N1 Rh1 C24 C23 -10.2(5) . .
Cl2 Rh1 C24 C23 83.7(5) . .
Cl1 Rh1 C24 C23 131.8(13) . .
C11 Rh1 C24 C25 89.3(4) . .
N2 Rh1 C24 C25 -2.6(3) . .
N1 Rh1 C24 C25 171.5(4) . .
Cl2 Rh1 C24 C25 -94.6(3) . .
Cl1 Rh1 C24 C25 -46.5(16) . .
C23 C24 C25 C26 -176.9(5) . .
Rh1 C24 C25 C26 1.7(6) . .
C23 C24 C25 C20 1.5(7) . .
Rh1 C24 C25 C20 -180.0(4) . .
C21 C20 C25 C24 -1.1(8) . .
C19 C20 C25 C24 178.3(5) . .
C21 C20 C25 C26 177.3(5) . .
C19 C20 C25 C26 -3.4(7) . .
C14 N2 C26 C17 -0.9(7) . .
Rh1 N2 C26 C17 177.7(4) . .
C14 N2 C26 C25 178.0(5) . .
Rh1 N2 C26 C25 -3.4(5) . .
C16 C17 C26 N2 0.6(8) . .
C18 C17 C26 N2 179.8(5) . .
C16 C17 C26 C25 -178.3(5) . .
C18 C17 C26 C25 0.9(8) . .
C24 C25 C26 N2 1.2(7) . .
C20 C25 C26 N2 -177.2(4) . .
C24 C25 C26 C17 -179.9(5) . .
C20 C25 C26 C17 1.7(8) . .
C35 P1 C27 C28 -178.5(5) . .
C31 P1 C27 C28 71.9(5) . .
Pt1 P1 C27 C28 -60.5(5) . .
P1 C27 C28 C29 165.5(5) . .
C27 C28 C29 C30 177.2(6) . .
C35 P1 C31 C32 -63.9(7) . .
C27 P1 C31 C32 46.0(7) . .
Pt1 P1 C31 C32 168.8(5) . .
P1 C31 C32 C33 169.5(11) . .
P1 C31 C32 C33A 155.2(29) . .
C31 C32 C33 C34 168.7(15) . .
C33A C32 C33 C34 -67.6(107) . .
C31 C32 C33A C34A -61.3(58) . .
C33 C32 C33A C34A -123.6(138) . .
C27 P1 C35 C36 171.6(6) . .
C31 P1 C35 C36 -77.2(6) . .
Pt1 P1 C35 C36 56.9(6) . .
P1 C35 C36 C37 163.5(22) . .
P1 C35 C36 C37A -162.4(8) . .
C35 C36 C37 C38 21.1(44) . .
C37A C36 C37 C38 -51.9(21) . .
C35 C36 C37A C38A -81.3(19) . .
C37 C36 C37A C38A 43.3(24) . .
C47 P2 C39 C40 168.6(4) . .
C43 P2 C39 C40 57.9(5) . .
Pt1 P2 C39 C40 -64.7(5) . .
P2 C39 C40 C41 170.6(5) . .
C39 C40 C41 C42 179.7(7) . .
C39 P2 C43 C44 58.9(5) . .
C47 P2 C43 C44 -52.4(5) . .
Pt1 P2 C43 C44 -177.1(4) . .
P2 C43 C44 C45 -174.2(5) . .
C43 C44 C45 C46 -174.2(6) . .
C39 P2 C47 C48 175.4(5) . .
C43 P2 C47 C48 -73.9(5) . .
Pt1 P2 C47 C48 48.9(5) . .
P2 C47 C48 C49 -176.7(6) . .
C47 C48 C49 C50 179.7(9) . .
F2 B1 F1 B1 -119.5(13) . 2
F3 B1 F1 B1 122.7(13) . 2
F1 B1 F1 B1 0.000(3) 2 2
Cl4 C51 Cl3 Cl4 0.0 . .
Cl3 C51 Cl4 Cl3 0.0 . .
C51 Cl3 Cl4 C51 0.0 . .
Cl4A C51A Cl3A Cl4A 0.000(4) . .
Cl3A C51A Cl4A Cl3A 0.000(3) . .
C51A Cl3A Cl4A C51A 0.000(6) . .
