# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 186/1306
 
data_severin1 
 
_audit_creation_date                2-02-98
_audit_creation_method              SHELXL 
_audit_update_record
; ?
;

# 1. SUBMISSION DETAILS

_publ_contact_author
;
 Kay Severin 
 Institut f\"ur Anorganische Chemie
 Universit\"at M\"unchen
 Meiserstr. 1
 80333 M\"unchen
 Bundesrepublik Deutschland
;
_publ_contact_author_email         'kse@anorg.chemie.uni-muenchen.de'
_publ_contact_author_fax           '049 89 5902-214'
_publ_contact_author_phone         '049 89 5902-626'
_publ_requested_journal            'J. Chem. Soc., Dalton Trans..'
_publ_requested_coeditor_name      ?

_publ_contact_letter
;
;

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic     ?
_journal_date_to_coeditor         ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?

_journal_date_printers_first      ?
_journal_date_printers_final      ?
_journal_date_proofs_out          ?
_journal_date_proofs_in           ?


_journal_coeditor_name            ?
_journal_coeditor_code            ?
_journal_coeditor_notes
; ?
;

_journal_techeditor_code          ?
_journal_techeditor_notes
; ?
;

_journal_coden_ASTM               ?
_journal_name_full                ?
_journal_year                     ?
_journal_volume                   ?

_journal_issue                    ?
_journal_page_first               ?
_journal_page_last                ?

_journal_suppl_publ_number        ?
_journal_suppl_publ_pages         ?

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; 
A Facile Method for the Synthesis of Heterobimetallic Chloro-bridged
Complexes containing (R3P)2MCl (M = Pt, Pd) Fragments.
;

# The loop structure below should contain the names  and addresses of all
# authors, in the required order  of publication. Repeat as necessary.

loop_
_publ_author_name
_publ_author_address
'Polborn, Kurt'
;  Institut f\"ur Organische Chemie
   Universit\"at M\"unchen
   Karlstr. 23
   80333 M\"unchen
   Bundesrepublik Deutschland  
;
  'Severin, Kay'
;  Institut f\"ur Anorganische Chemie
   Universit\"at M\"unchen
   Meiserstr. 1
   80333 M\"unchen
   Bundesrepublik Deutschland  
;

  


# 4. TEXT

_publ_section_abstract
; 
;

_publ_section_comment
; ?
;


_publ_section_experimental
; ?
;


_publ_section_references
;
Burla, M.C., Camalli, M., Cascarano, G.,Giacovazzo, C., Polidori, G.,
Spagna, R. &Viterbo, D. (1989).  SIR.  J. Appl. Cryst. 22, 389-393.

Enraf-Nonius, CAD4 Operations Manual, Delft, 1977.

Fair, C.K. (1990).  MolEN, An Interactive Intelligent System for Crystal 
Structure Analysis, User Manual, Enraf -  Nonius, Delft, The Netherlands.

SHELXS-86, G. M. Sheldrick, University of G\"ottigen, Germany, 1986.

SHELXL-93, G. M. Sheldrick, University of G\"ottigen, Germany, 1993.

International Tables for X-Ray Crystallography, Vol. IV, The Kynoch Press,
Birmingham, England, 1974

Zsolnai, L. (1994). ZORTEP. University of Heidelberg.
;

_publ_section_figure_captions
; ?
;

_publ_section_acknowledgements
; ?
;

_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          'C50 H70 CL2 N2 P2 Pt Rh+   B F4-  C H2 Cl2' 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C51 H72 B Cl4 F4 N2 P2 Pt Rh' 
_chemical_formula_weight          1301.66 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    13.072(2) 
_cell_length_b                    15.041(2) 
_cell_length_c                    15.622(3) 
_cell_angle_alpha                 103.631(13) 
_cell_angle_beta                  93.331(15) 
_cell_angle_gamma                 103.126(13) 
_cell_volume                      2886.7(8) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       9 
_cell_measurement_theta_max       16 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.53 
_exptl_crystal_size_mid           0.33 
_exptl_crystal_size_min           0.27 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.498 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1308 
_exptl_absorpt_coefficient_mu     2.993 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.9120 
_exptl_absorpt_correction_T_max   0.9998 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        Nonius_MACH3 
_diffrn_measurement_method        \o-scan 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   7200 
_diffrn_standards_decay_%         -2.5 
_diffrn_reflns_number             9416 
_diffrn_reflns_av_R_equivalents   0.0099 
_diffrn_reflns_av_sigmaI/netI     0.0184 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        0 
_diffrn_reflns_limit_l_min        -17 
_diffrn_reflns_limit_l_max        17 
_diffrn_reflns_theta_min          2.41 
_diffrn_reflns_theta_max          23.97 
_reflns_number_total              9025 
_reflns_number_observed           8025 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        CAD4(Nonius,_1977)   
_computing_cell_refinement        CAD4(Nonius,_1977)    
_computing_data_reduction         process_MOLEN(Fair,_1990) 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'      
_computing_molecular_graphics     ZORTEP(Zsolnai,_1994) 
_computing_publication_material   'SHELXL-93 (Sheldrick, 1993)'       
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
 are based on F, with F set to zero for negative F^2^. The observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0474P)^2^+3.7516P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          9025 
_refine_ls_number_parameters      688 
_refine_ls_number_restraints      148 
_refine_ls_R_factor_all           0.0365 
_refine_ls_R_factor_obs           0.0304 
_refine_ls_wR_factor_all          0.0859 
_refine_ls_wR_factor_obs          0.0805 
_refine_ls_goodness_of_fit_all    1.101 
_refine_ls_goodness_of_fit_obs    1.099 
_refine_ls_restrained_S_all       1.113 
_refine_ls_restrained_S_obs       1.113 
_refine_ls_shift/esd_max          -0.106 
_refine_ls_shift/esd_mean         0.003 
 
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_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Rh1 0.0384(2) 0.0400(2) 0.0490(2) 0.0162(2) -0.0023(2) 0.0075(2) 
Pt1 0.03652(11) 0.03916(11) 0.04189(11) 0.01308(8) -0.00040(7) 0.00534(7) 
Cl1 0.0467(7) 0.0514(7) 0.0649(8) 0.0256(6) -0.0127(6) 0.0005(6) 
Cl2 0.0388(6) 0.0511(7) 0.0587(7) 0.0253(6) -0.0004(5) 0.0046(5) 
P1 0.0454(7) 0.0510(8) 0.0568(8) 0.0208(6) 0.0012(6) 0.0002(6) 
P2 0.0433(7) 0.0520(8) 0.0435(7) 0.0142(6) -0.0018(5) 0.0102(6) 
N1 0.053(3) 0.046(2) 0.062(3) 0.015(2) 0.009(2) 0.011(2) 
N2 0.046(2) 0.058(3) 0.052(2) 0.020(2) -0.001(2) 0.013(2) 
C1 0.078(4) 0.063(4) 0.058(4) 0.012(3) -0.001(3) 0.020(3) 
C2 0.102(6) 0.096(5) 0.063(4) 0.003(4) 0.007(4) 0.031(5) 
C3 0.121(7) 0.101(6) 0.072(5) 0.013(4) 0.030(5) 0.042(5) 
C4 0.075(4) 0.063(4) 0.108(6) 0.020(4) 0.035(4) 0.023(3) 
C5 0.082(6) 0.083(5) 0.143(8) 0.029(5) 0.054(6) 0.032(4) 
C6 0.056(4) 0.074(5) 0.155(8) 0.040(5) 0.029(5) 0.026(4) 
C7 0.047(3) 0.053(3) 0.115(6) 0.033(4) 0.008(4) 0.013(3) 
C8 0.045(3) 0.060(4) 0.144(7) 0.047(4) 0.004(4) 0.011(3) 
C9 0.057(4) 0.061(4) 0.105(5) 0.041(4) -0.024(4) 0.001(3) 
C10 0.052(3) 0.048(3) 0.081(4) 0.027(3) -0.016(3) 0.002(2) 
C11 0.043(3) 0.038(3) 0.075(4) 0.027(3) -0.004(3) 0.004(2) 
C12 0.043(3) 0.039(3) 0.089(4) 0.024(3) 0.009(3) 0.007(2) 
C13 0.048(3) 0.046(3) 0.076(4) 0.019(3) 0.011(3) 0.010(2) 
C14 0.066(4) 0.059(3) 0.055(3) 0.011(3) -0.005(3) 0.015(3) 
C15 0.082(5) 0.079(4) 0.060(4) 0.006(3) 0.003(3) 0.021(4) 
C16 0.081(5) 0.114(6) 0.054(4) 0.024(4) 0.009(3) 0.023(4) 
C17 0.058(3) 0.086(5) 0.058(4) 0.029(3) 0.004(3) 0.013(3) 
C18 0.074(4) 0.113(6) 0.068(4) 0.042(4) 0.010(3) 0.008(4) 
C19 0.054(4) 0.104(6) 0.092(5) 0.061(5) 0.008(3) 0.003(4) 
C20 0.037(3) 0.072(4) 0.089(4) 0.044(3) 0.001(3) 0.010(3) 
C21 0.045(3) 0.062(4) 0.110(6) 0.043(4) 0.000(3) 0.003(3) 
C22 0.047(3) 0.045(3) 0.100(5) 0.014(3) -0.006(3) 0.002(2) 
C23 0.050(3) 0.049(3) 0.073(4) 0.017(3) 0.000(3) 0.009(2) 
C24 0.038(3) 0.040(3) 0.067(3) 0.020(2) -0.006(2) 0.006(2) 
C25 0.038(3) 0.054(3) 0.061(3) 0.028(3) -0.002(2) 0.011(2) 
C26 0.038(3) 0.069(4) 0.058(3) 0.030(3) -0.002(2) 0.011(2) 
C27 0.055(3) 0.046(3) 0.070(4) 0.016(3) -0.006(3) 0.001(2) 
C28 0.064(4) 0.058(4) 0.083(4) 0.015(3) 0.004(3) 0.007(3) 
C29 0.087(5) 0.058(4) 0.091(5) 0.016(4) 0.015(4) 0.009(3) 
C30 0.105(6) 0.087(6) 0.124(7) 0.003(5) 0.037(6) 0.016(5) 
C31 0.066(4) 0.074(4) 0.083(4) 0.037(4) 0.000(3) 0.001(3) 
C32 0.101(6) 0.108(6) 0.116(7) 0.068(5) 0.009(5) -0.012(5) 
C33 0.123(10) 0.122(9) 0.114(9) 0.085(7) 0.018(6) -0.003(6) 
C34 0.225(18) 0.177(17) 0.193(16) 0.124(14) 0.017(13) -0.015(13) 
C33A 0.235(36) 0.233(36) 0.233(36) 0.067(13) 0.021(11) 0.058(13) 
C34A 0.255(33) 0.257(32) 0.244(32) 0.087(20) 0.035(19) 0.052(19) 
C35 0.044(3) 0.081(4) 0.088(5) 0.025(4) 0.016(3) 0.003(3) 
C36 0.072(5) 0.118(7) 0.111(6) -0.004(5) 0.021(4) 0.023(5) 
C39 0.063(4) 0.058(3) 0.065(4) 0.018(3) -0.007(3) 0.019(3) 
C40 0.067(4) 0.067(4) 0.078(4) 0.014(3) 0.004(3) 0.032(3) 
C41 0.111(6) 0.103(6) 0.090(5) 0.019(4) 0.004(5) 0.065(5) 
C42 0.141(8) 0.136(8) 0.114(7) 0.007(6) 0.012(6) 0.088(7) 
C43 0.045(3) 0.054(3) 0.058(3) 0.009(3) -0.005(2) 0.008(2) 
C44 0.046(3) 0.083(4) 0.059(3) 0.006(3) -0.010(3) 0.010(3) 
C45 0.054(4) 0.098(5) 0.089(5) 0.002(4) -0.006(3) 0.002(4) 
C46 0.062(5) 0.144(8) 0.102(6) -0.021(6) -0.024(4) 0.005(5) 
C47 0.064(4) 0.073(4) 0.045(3) 0.020(3) 0.003(3) 0.010(3) 
C48 0.089(5) 0.107(6) 0.052(4) 0.008(4) 0.012(3) 0.031(4) 
C49 0.145(8) 0.169(10) 0.071(5) 0.027(6) 0.040(5) 0.064(8) 
C50 0.217(14) 0.252(15) 0.110(8) 0.038(9) 0.082(9) 0.142(13) 
B1 0.548(77) 0.548(77) 0.549(77) 0.139(20) 0.065(10) 0.136(20) 
F1 0.332(8) 0.333(8) 0.341(8) 0.071(5) 0.040(5) 0.085(5) 
F2 0.177(9) 0.162(9) 0.190(9) 0.011(7) 0.017(8) 0.049(7) 
F3 0.244(12) 0.244(12) 0.254(12) 0.045(9) 0.011(9) 0.077(9) 
C51 0.208(17) 0.212(17) 0.209(17) 0.053(7) 0.020(6) 0.052(7) 
Cl3 0.185(6) 0.198(6) 0.178(6) 0.032(4) 0.025(4) 0.050(4) 
Cl4 0.332(10) 0.331(11) 0.334(11) 0.078(5) 0.034(5) 0.082(6) 
C51A 0.229(15) 0.228(15) 0.225(15) 0.057(6) 0.035(5) 0.051(6) 
Cl3A 0.573(18) 0.568(18) 0.566(17) 0.153(7) 0.055(5) 0.141(7) 
Cl4A 0.181(5) 0.198(5) 0.177(5) 0.037(4) 0.022(4) 0.069(4) 
B2 0.179(14) 0.180(14) 0.178(14) 0.052(6) 0.021(5) 0.041(6) 
F5 0.264(12) 0.232(11) 0.255(11) 0.118(9) 0.007(8) 0.085(9) 
F6 0.254(12) 0.235(11) 0.222(11) 0.050(9) 0.012(9) 0.050(9) 
F7 0.250(11) 0.229(11) 0.207(10) 0.077(8) 0.019(8) 0.060(8) 
F8 0.352(16) 0.334(16) 0.336(16) 0.088(10) 0.044(10) 0.095(10) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
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 
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_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 
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_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_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
 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) . . . . ? 
 
_refine_diff_density_max    0.851 
_refine_diff_density_min   -0.579 
_refine_diff_density_rms    0.082 

 
#===END

 
data_Severin_2 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          'C27 H59 CL2 P2 Pd Pt         B F4' 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C27 H59 B Cl2 F4 P2 Pd Pt' 
_chemical_formula_weight          904.88 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 'Pd'  'Pd'  -0.9988   1.0072 
 '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' 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P21/n 
 
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' 
 
_cell_length_a                    13.675(2) 
_cell_length_b                    14.791(3) 
_cell_length_c                    19.451(4) 
_cell_angle_alpha                 90.00(2) 
_cell_angle_beta                  104.745(15) 
_cell_angle_gamma                 90.00(2) 
_cell_volume                      3804.7(12) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       9 
_cell_measurement_theta_max       16 
 
_exptl_crystal_description        bloc 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           .53 
_exptl_crystal_size_mid           .37 
_exptl_crystal_size_min           .27 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.580 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1800 
_exptl_absorpt_coefficient_mu     4.405 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.6635 
_exptl_absorpt_correction_T_max   0.9975 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        Nonius_CAD4 
_diffrn_measurement_method        \o-2\T-scan 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   7200 
_diffrn_standards_decay_%         -5.2 
_diffrn_reflns_number             6153 
_diffrn_reflns_av_R_equivalents   0.0938 
_diffrn_reflns_av_sigmaI/netI     0.0370 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        0 
_diffrn_reflns_limit_l_min        -22 
_diffrn_reflns_limit_l_max        0 
_diffrn_reflns_theta_min          2.51 
_diffrn_reflns_theta_max          23.99 
_reflns_number_total              5961 
_reflns_number_observed           4478 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        CAD4(Nonius,_1977)  
_computing_cell_refinement        CAD4(Nonius,_1977)   
_computing_data_reduction         process_MOLEN(Fair,_1990) 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ZORTEP(Zsolnai,_1994) 
_computing_publication_material   'SHELXL-93 (Sheldrick, 1993)'  
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
 are based on F, with F set to zero for negative F^2^. The observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0765P)^2^+2.8249P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     riding 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5961 
_refine_ls_number_parameters      389 
_refine_ls_number_restraints      82 
_refine_ls_R_factor_all           0.0750 
_refine_ls_R_factor_obs           0.0520 
_refine_ls_wR_factor_all          0.1426 
_refine_ls_wR_factor_obs          0.1241 
_refine_ls_goodness_of_fit_all    1.162 
_refine_ls_goodness_of_fit_obs    1.178 
_refine_ls_restrained_S_all       1.161 
_refine_ls_restrained_S_obs       1.175 
_refine_ls_shift/esd_max          0.079 
_refine_ls_shift/esd_mean         0.010 
 
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 0.38123(3) 0.07417(2) 0.65719(2) 0.0570(2) Uani 1 d . . 
Pd1 Pd 0.42287(7) 0.29153(5) 0.59008(5) 0.0774(3) Uani 1 d . . 
Cl1 Cl 0.4051(3) 0.2276(2) 0.6994(2) 0.0953(10) Uani 1 d . . 
Cl2 Cl 0.3712(3) 0.1435(2) 0.54496(14) 0.0939(9) Uani 1 d . . 
P1 P 0.3906(2) 0.0369(2) 0.77138(13) 0.0682(7) Uani 1 d . . 
P2 P 0.3599(2) -0.0647(2) 0.60940(13) 0.0582(6) Uani 1 d . . 
B1 B 0.2301(10) -0.3851(6) 0.5026(6) 0.129(8) Uani 1 d D . 
F1 F 0.1852(16) -0.3243(10) 0.5329(11) 0.142(8) Uani 0.64(3) d PDU 1 
F2 F 0.2084(21) -0.4652(8) 0.5217(13) 0.286(20) Uani 0.64(3) d PDU 1 
F3 F 0.3269(11) -0.3718(17) 0.5215(18) 0.255(16) Uani 0.64(3) d PDU 1 
F4 F 0.1965(26) -0.3763(17) 0.4338(6) 0.284(18) Uani 0.64(3) d PDU 1 
F1A F 0.1409(19) -0.3517(33) 0.4962(28) 0.327(30) Uani 0.36(3) d PDU 2 
F2A F 0.2328(37) -0.4693(11) 0.5230(19) 0.244(27) Uani 0.36(3) d PDU 2 
F3A F 0.2966(30) -0.3391(24) 0.5502(14) 0.169(18) Uani 0.36(3) d PDU 2 
F4A F 0.2546(39) -0.3805(23) 0.4421(13) 0.208(20) Uani 0.36(3) d PDU 2 
C1 C 0.4594(14) 0.4291(9) 0.6173(10) 0.124(5) Uani 1 d DU . 
H1A H 0.3908(14) 0.4230(9) 0.6145(10) 0.148 Uiso 1 calc R . 
H1B H 0.5025(14) 0.4534(9) 0.6580(10) 0.148 Uiso 1 calc R . 
C2 C 0.4967(18) 0.4024(12) 0.5619(9) 0.158(7) Uani 1 d DU . 
H2 H 0.5654(18) 0.4088(12) 0.5654(9) 0.190 Uiso 1 calc R . 
C3 C 0.4354(13) 0.3664(11) 0.5015(9) 0.130(6) Uani 1 d DU . 
H3A H 0.3665(13) 0.3597(11) 0.4975(9) 0.156 Uiso 1 calc R . 
H3B H 0.4625(13) 0.3487(11) 0.4643(9) 0.156 Uiso 1 calc R . 
C4 C 0.5103(9) 0.0793(8) 0.8267(5) 0.081(3) Uani 1 d . . 
H4A H 0.5106(9) 0.1447(8) 0.8235(5) 0.097 Uiso 1 calc R . 
H4B H 0.5151(9) 0.0634(8) 0.8758(5) 0.097 Uiso 1 calc R . 
C5 C 0.6011(9) 0.0431(9) 0.8063(7) 0.094(4) Uani 1 d . . 
H5A H 0.5937(9) 0.0551(9) 0.7562(7) 0.113 Uiso 1 calc R . 
H5B H 0.6031(9) -0.0220(9) 0.8127(7) 0.113 Uiso 1 calc R . 
C6 C 0.6998(11) 0.0820(9) 0.8478(8) 0.109(5) Uani 1 d . . 
H6A H 0.7091(11) 0.0679(9) 0.8978(8) 0.131 Uiso 1 calc R . 
H6B H 0.6977(11) 0.1472(9) 0.8427(8) 0.131 Uiso 1 calc R . 
C7 C 0.7913(12) 0.0441(13) 0.8223(8) 0.132(5) Uani 1 d . . 
H7A H 0.8524(16) 0.0728(51) 0.8486(40) 0.158 Uiso 1 calc R . 
H7B H 0.7814(39) 0.0563(63) 0.7726(15) 0.158 Uiso 1 calc R . 
H7C H 0.7963(48) -0.0200(16) 0.8302(50) 0.158 Uiso 1 calc R . 
C8 C 0.2917(10) 0.0966(8) 0.7982(6) 0.087(3) Uani 1 d . . 
H8A H 0.2952(10) 0.0811(8) 0.8472(6) 0.104 Uiso 1 calc R . 
H8B H 0.3045(10) 0.1610(8) 0.7966(6) 0.104 Uiso 1 calc R . 
C9 C 0.1862(10) 0.0779(9) 0.7541(8) 0.105(4) Uani 1 d . . 
H9A H 0.1700(10) 0.0149(9) 0.7598(8) 0.126 Uiso 1 calc R . 
H9B H 0.1838(10) 0.0876(9) 0.7044(8) 0.126 Uiso 1 calc R . 
C10 C 0.1070(12) 0.1374(12) 0.7744(9) 0.124(5) Uani 1 d . . 
H10A H 0.1091(12) 0.1273(12) 0.8241(9) 0.148 Uiso 1 calc R . 
H10B H 0.1234(12) 0.2003(12) 0.7690(9) 0.148 Uiso 1 calc R . 
C11 C 0.0040(14) 0.1192(15) 0.7308(12) 0.171(8) Uani 1 d . . 
H11A H 0.0019(29) 0.1276(94) 0.6815(13) 0.205 Uiso 1 calc R . 
H11B H -0.0426(20) 0.1601(63) 0.7441(53) 0.205 Uiso 1 calc R . 
H11C H -0.0144(42) 0.0581(32) 0.7385(57) 0.205 Uiso 1 calc R . 
C12 C 0.3834(10) -0.0787(7) 0.8001(6) 0.082(3) Uani 1 d . . 
H12A H 0.3202(10) -0.1044(7) 0.7726(6) 0.099 Uiso 1 calc R . 
H12B H 0.4377(10) -0.1126(7) 0.7884(6) 0.099 Uiso 1 calc R . 
C13 C 0.3897(12) -0.0935(8) 0.8791(6) 0.100(4) Uani 1 d . . 
H13A H 0.4544(12) -0.0707(8) 0.9066(6) 0.120 Uiso 1 calc R . 
H13B H 0.3374(12) -0.0576(8) 0.8915(6) 0.120 Uiso 1 calc R . 
C14 C 0.3790(14) -0.1885(11) 0.9007(8) 0.129(6) Uani 1 d . . 
H14A H 0.3155(14) -0.2126(11) 0.8724(8) 0.155 Uiso 1 calc R . 
H14B H 0.4332(14) -0.2244(11) 0.8909(8) 0.155 Uiso 1 calc R . 
C15 C 0.3815(16) -0.1970(15) 0.9751(9) 0.176(9) Uani 1 d . . 
H15A H 0.3640(107) -0.2578(29) 0.9847(18) 0.212 Uiso 1 calc R . 
H15B H 0.3338(80) -0.1557(70) 0.9866(20) 0.212 Uiso 1 calc R . 
H15C H 0.4482(33) -0.1833(96) 1.0034(9) 0.212 Uiso 1 calc R . 
C16 C 0.2482(8) -0.1244(8) 0.6180(6) 0.078(3) Uani 1 d . . 
H16A H 0.2487(8) -0.1842(8) 0.5976(6) 0.094 Uiso 1 calc R . 
H16B H 0.2526(8) -0.1321(8) 0.6682(6) 0.094 Uiso 1 calc R . 
C17 C 0.1498(9) -0.0810(9) 0.5843(8) 0.101(4) Uani 1 d . . 
H17A H 0.1382(9) -0.0832(9) 0.5330(8) 0.122 Uiso 1 calc R . 
H17B H 0.1518(9) -0.0181(9) 0.5985(8) 0.122 Uiso 1 calc R . 
C18 C 0.0602(12) -0.1306(13) 0.6067(12) 0.161(8) Uani 1 d . . 
H18A H 0.0552(12) -0.1925(13) 0.5897(12) 0.193 Uiso 1 calc R . 
H18B H 0.0736(12) -0.1318(13) 0.6581(12) 0.193 Uiso 1 calc R . 
C19 C -0.0338(16) -0.0841(17) 0.5771(15) 0.232(14) Uani 1 d . . 
H19A H -0.0834(47) -0.1032(106) 0.6012(75) 0.278 Uiso 1 calc R . 
H19B H -0.0571(81) -0.0981(110) 0.5274(28) 0.278 Uiso 1 calc R . 
H19C H -0.0234(38) -0.0201(19) 0.5830(99) 0.278 Uiso 1 calc R . 
C20 C 0.4643(7) -0.1425(6) 0.6442(5) 0.062(2) Uani 1 d . . 
H20A H 0.4702(7) -0.1518(6) 0.6944(5) 0.074 Uiso 1 calc R . 
H20B H 0.4482(7) -0.2004(6) 0.6206(5) 0.074 Uiso 1 calc R . 
C21 C 0.5643(8) -0.1114(7) 0.6350(6) 0.074(3) Uani 1 d . . 
H21A H 0.5767(8) -0.0502(7) 0.6530(6) 0.088 Uiso 1 calc R . 
H21B H 0.5616(8) -0.1101(7) 0.5847(6) 0.088 Uiso 1 calc R . 
C22 C 0.6521(9) -0.1712(9) 0.6729(7) 0.097(4) Uani 1 d . . 
H22A H 0.6559(9) -0.1704(9) 0.7234(7) 0.117 Uiso 1 calc R . 
H22B H 0.6375(9) -0.2329(9) 0.6565(7) 0.117 Uiso 1 calc R . 
C23 C 0.7538(10) -0.1451(11) 0.6627(8) 0.122(5) Uani 1 d . . 
H23A H 0.7532(26) -0.1516(64) 0.6135(13) 0.146 Uiso 1 calc R . 
H23B H 0.8048(14) -0.1837(46) 0.6911(42) 0.146 Uiso 1 calc R . 
H23C H 0.7681(34) -0.0834(24) 0.6770(49) 0.146 Uiso 1 calc R . 
C24 C 0.3483(9) -0.0613(7) 0.5141(5) 0.071(3) Uani 1 d . . 
H24A H 0.2919(9) -0.0220(7) 0.4927(5) 0.085 Uiso 1 calc R . 
H24B H 0.4089(9) -0.0331(7) 0.5067(5) 0.085 Uiso 1 calc R . 
C25 C 0.3331(11) -0.1494(8) 0.4743(5) 0.087(3) Uani 1 d . . 
H25A H 0.2761(11) -0.1812(8) 0.4840(5) 0.105 Uiso 1 calc R . 
H25B H 0.3927(11) -0.1869(8) 0.4905(5) 0.105 Uiso 1 calc R . 
C26 C 0.3135(12) -0.1337(9) 0.3941(6) 0.107(5) Uani 1 d . . 
H26A H 0.2548(12) -0.0949(9) 0.3792(6) 0.129 Uiso 1 calc R . 
H26B H 0.3708(12) -0.1010(9) 0.3855(6) 0.129 Uiso 1 calc R . 
C27 C 0.2968(14) -0.2142(11) 0.3486(6) 0.131(6) Uani 1 d . . 
H27A H 0.2741(76) -0.1961(11) 0.2997(7) 0.157 Uiso 1 calc R . 
H27B H 0.2465(56) -0.2518(36) 0.3608(37) 0.157 Uiso 1 calc R . 
H27C H 0.3589(21) -0.2473(37) 0.3556(40) 0.157 Uiso 1 calc R . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Pt1 0.0688(3) 0.0505(2) 0.0520(2) -0.0016(2) 0.0160(2) -0.0002(2) 
Pd1 0.0921(6) 0.0528(4) 0.0849(6) 0.0077(4) 0.0180(5) -0.0004(4) 
Cl1 0.158(3) 0.0559(15) 0.075(2) -0.0086(13) 0.033(2) -0.008(2) 
Cl2 0.160(3) 0.0582(15) 0.0611(15) 0.0036(12) 0.024(2) -0.014(2) 
P1 0.091(2) 0.0622(15) 0.0546(14) -0.0028(12) 0.0235(13) 0.0030(14) 
P2 0.0653(14) 0.0547(13) 0.0559(13) -0.0017(11) 0.0180(11) -0.0038(11) 
B1 0.188(23) 0.097(14) 0.126(17) -0.002(12) 0.086(18) -0.032(16) 
F1 0.146(15) 0.128(12) 0.157(15) -0.062(10) 0.046(12) -0.002(10) 
F2 0.561(46) 0.119(22) 0.268(31) -0.027(21) 0.267(31) -0.142(27) 
F3 0.237(26) 0.203(29) 0.355(44) 0.054(27) 0.126(27) 0.062(22) 
F4 0.488(46) 0.276(31) 0.120(16) 0.001(18) 0.136(20) -0.151(31) 
F1A 0.253(50) 0.372(60) 0.316(58) -0.123(51) 0.001(44) 0.054(46) 
F2A 0.470(64) 0.068(27) 0.230(48) 0.025(29) 0.156(45) 0.075(38) 
F3A 0.294(48) 0.109(23) 0.106(19) -0.041(17) 0.053(25) -0.056(28) 
F4A 0.397(52) 0.125(24) 0.171(32) -0.065(24) 0.197(33) -0.092(29) 
C1 0.156(13) 0.076(9) 0.147(13) -0.016(9) 0.053(11) -0.042(9) 
C2 0.186(15) 0.115(12) 0.181(15) 0.035(11) 0.059(13) -0.033(11) 
C3 0.148(13) 0.112(11) 0.125(12) 0.050(10) 0.027(10) -0.023(10) 
C4 0.099(8) 0.086(8) 0.054(6) -0.012(5) 0.016(5) -0.013(6) 
C5 0.092(8) 0.096(9) 0.084(8) -0.012(7) 0.002(6) 0.005(7) 
C6 0.118(11) 0.099(10) 0.095(9) 0.002(8) -0.001(8) -0.017(8) 
C7 0.110(11) 0.156(15) 0.121(12) 0.010(11) 0.016(9) 0.021(11) 
C8 0.117(10) 0.074(7) 0.077(7) -0.002(6) 0.040(7) 0.010(7) 
C9 0.110(10) 0.111(11) 0.108(10) -0.014(8) 0.056(9) 0.008(8) 
C10 0.120(12) 0.131(13) 0.140(13) -0.002(11) 0.072(11) 0.034(10) 
C11 0.110(14) 0.186(20) 0.235(24) 0.000(18) 0.077(15) 0.010(13) 
C12 0.115(9) 0.066(7) 0.071(7) -0.002(5) 0.033(6) -0.005(6) 
C13 0.156(12) 0.084(8) 0.070(7) 0.018(6) 0.047(8) 0.029(8) 
C14 0.170(15) 0.121(12) 0.092(10) 0.038(9) 0.029(10) -0.016(11) 
C15 0.185(19) 0.195(22) 0.154(17) 0.085(16) 0.051(15) 0.023(16) 
C16 0.079(7) 0.075(7) 0.080(7) -0.006(6) 0.019(6) -0.013(6) 
C17 0.075(8) 0.098(9) 0.128(11) -0.022(8) 0.020(7) -0.012(7) 
C18 0.084(11) 0.146(16) 0.243(23) -0.007(16) 0.022(12) -0.004(10) 
C19 0.117(17) 0.237(30) 0.360(42) -0.061(26) 0.096(22) -0.028(17) 
C20 0.080(6) 0.045(5) 0.065(6) 0.001(4) 0.027(5) 0.011(5) 
C21 0.071(7) 0.075(7) 0.076(7) 0.006(6) 0.020(5) 0.011(5) 
C22 0.091(9) 0.083(8) 0.111(10) 0.019(7) 0.015(7) 0.017(7) 
C23 0.079(9) 0.148(14) 0.140(12) 0.039(11) 0.032(8) 0.031(9) 
C24 0.094(7) 0.062(6) 0.057(5) -0.005(5) 0.020(5) -0.002(5) 
C25 0.140(11) 0.065(7) 0.062(6) -0.013(5) 0.036(7) -0.009(7) 
C26 0.181(14) 0.076(8) 0.059(7) -0.019(6) 0.018(8) -0.014(8) 
C27 0.201(17) 0.120(12) 0.065(8) -0.003(8) 0.021(9) -0.006(12) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
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 P2 2.243(2) . ? 
Pt1 P1 2.260(3) . ? 
Pt1 Cl2 2.384(3) . ? 
Pt1 Cl1 2.407(3) . ? 
Pd1 Cl1 2.396(3) . ? 
Pd1 Cl2 2.397(3) . ? 
P1 C8 1.800(11) . ? 
P1 C12 1.810(10) . ? 
P1 C4 1.825(11) . ? 
P2 C16 1.809(10) . ? 
P2 C24 1.820(9) . ? 
P2 C20 1.824(9) . ? 
B1 F1A 1.293(11) . ? 
B1 F3 1.295(11) . ? 
B1 F2 1.299(11) . ? 
B1 F2A 1.305(11) . ? 
B1 F4A 1.305(11) . ? 
B1 F4 1.306(11) . ? 
B1 F1 1.311(10) . ? 
B1 F3A 1.311(11) . ? 
C1 C2 1.36(2) . ? 
C2 C3 1.37(2) . ? 
C4 C5 1.49(2) . ? 
C5 C6 1.50(2) . ? 
C6 C7 1.56(2) . ? 
C8 C9 1.50(2) . ? 
C9 C10 1.52(2) . ? 
C10 C11 1.47(2) . ? 
C12 C13 1.532(15) . ? 
C13 C14 1.49(2) . ? 
C14 C15 1.44(2) . ? 
C16 C17 1.48(2) . ? 
C17 C18 1.58(2) . ? 
C18 C19 1.44(3) . ? 
C20 C21 1.496(14) . ? 
C21 C22 1.522(15) . ? 
C22 C23 1.50(2) . ? 
C24 C25 1.503(14) . ? 
C25 C26 1.531(15) . ? 
C26 C27 1.46(2) . ? 
 
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 
P2 Pt1 P1 98.80(9) . . ? 
P2 Pt1 Cl2 92.49(9) . . ? 
P1 Pt1 Cl2 168.61(10) . . ? 
P2 Pt1 Cl1 175.43(9) . . ? 
P1 Pt1 Cl1 85.74(10) . . ? 
Cl2 Pt1 Cl1 82.98(10) . . ? 
Cl1 Pd1 Cl2 82.97(10) . . ? 
Pd1 Cl1 Pt1 96.02(10) . . ? 
Pt1 Cl2 Pd1 96.59(10) . . ? 
C8 P1 C12 105.7(6) . . ? 
C8 P1 C4 106.7(6) . . ? 
C12 P1 C4 104.7(6) . . ? 
C8 P1 Pt1 107.9(4) . . ? 
C12 P1 Pt1 122.6(4) . . ? 
C4 P1 Pt1 108.3(4) . . ? 
C16 P2 C24 104.5(5) . . ? 
C16 P2 C20 105.0(5) . . ? 
C24 P2 C20 104.6(5) . . ? 
C16 P2 Pt1 115.6(4) . . ? 
C24 P2 Pt1 111.4(3) . . ? 
C20 P2 Pt1 114.7(3) . . ? 
F3 B1 F2 110.4(9) . . ? 
F1A B1 F2A 110.3(10) . . ? 
F1A B1 F4A 110.2(10) . . ? 
F2A B1 F4A 109.3(9) . . ? 
F3 B1 F4 110.1(9) . . ? 
F2 B1 F4 109.8(9) . . ? 
F3 B1 F1 109.3(9) . . ? 
F2 B1 F1 109.2(9) . . ? 
F4 B1 F1 108.0(9) . . ? 
F1A B1 F3A 109.7(9) . . ? 
F2A B1 F3A 108.6(9) . . ? 
F4A B1 F3A 108.7(9) . . ? 
C1 C2 C3 121.5(22) . . ? 
C5 C4 P1 113.7(8) . . ? 
C4 C5 C6 114.5(11) . . ? 
C5 C6 C7 112.1(12) . . ? 
C9 C8 P1 115.2(8) . . ? 
C8 C9 C10 112.8(12) . . ? 
C11 C10 C9 112.6(15) . . ? 
C13 C12 P1 116.7(8) . . ? 
C14 C13 C12 115.8(11) . . ? 
C15 C14 C13 112.8(15) . . ? 
C17 C16 P2 116.2(9) . . ? 
C16 C17 C18 110.9(12) . . ? 
C19 C18 C17 110.1(18) . . ? 
C21 C20 P2 114.5(7) . . ? 
C20 C21 C22 113.3(9) . . ? 
C23 C22 C21 115.3(11) . . ? 
C25 C24 P2 117.7(7) . . ? 
C24 C25 C26 111.1(9) . . ? 
C27 C26 C25 116.9(11) . . ? 
 
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_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
 Cl2 Pd1 Cl1 Pt1 9.04(13) . . . . ? 
 P2 Pt1 Cl1 Pd1 -1.0(15) . . . . ? 
 P1 Pt1 Cl1 Pd1 172.48(13) . . . . ? 
 Cl2 Pt1 Cl1 Pd1 -9.08(13) . . . . ? 
 P2 Pt1 Cl2 Pd1 -170.27(12) . . . . ? 
 P1 Pt1 Cl2 Pd1 17.0(7) . . . . ? 
 Cl1 Pt1 Cl2 Pd1 9.09(13) . . . . ? 
 Cl1 Pd1 Cl2 Pt1 -9.13(13) . . . . ? 
 P2 Pt1 P1 C8 -121.7(5) . . . . ? 
 Cl2 Pt1 P1 C8 50.9(8) . . . . ? 
 Cl1 Pt1 P1 C8 58.8(5) . . . . ? 
 P2 Pt1 P1 C12 1.2(5) . . . . ? 
 Cl2 Pt1 P1 C12 173.8(7) . . . . ? 
 Cl1 Pt1 P1 C12 -178.3(5) . . . . ? 
 P2 Pt1 P1 C4 123.1(4) . . . . ? 
 Cl2 Pt1 P1 C4 -64.2(7) . . . . ? 
 Cl1 Pt1 P1 C4 -56.3(4) . . . . ? 
 P1 Pt1 P2 C16 60.6(4) . . . . ? 
 Cl2 Pt1 P2 C16 -118.0(4) . . . . ? 
 Cl1 Pt1 P2 C16 -126.0(14) . . . . ? 
 P1 Pt1 P2 C24 179.7(4) . . . . ? 
 Cl2 Pt1 P2 C24 1.1(4) . . . . ? 
 Cl1 Pt1 P2 C24 -6.9(15) . . . . ? 
 P1 Pt1 P2 C20 -61.7(3) . . . . ? 
 Cl2 Pt1 P2 C20 119.7(3) . . . . ? 
 Cl1 Pt1 P2 C20 111.7(14) . . . . ? 
 C8 P1 C4 C5 -174.3(9) . . . . ? 
 C12 P1 C4 C5 74.0(10) . . . . ? 
 Pt1 P1 C4 C5 -58.4(10) . . . . ? 
 P1 C4 C5 C6 176.0(10) . . . . ? 
 C4 C5 C6 C7 -178.0(12) . . . . ? 
 C12 P1 C8 C9 -74.5(10) . . . . ? 
 C4 P1 C8 C9 174.4(9) . . . . ? 
 Pt1 P1 C8 C9 58.3(10) . . . . ? 
 P1 C8 C9 C10 -174.0(10) . . . . ? 
 C8 C9 C10 C11 179.6(14) . . . . ? 
 C8 P1 C12 C13 -55.4(12) . . . . ? 
 C4 P1 C12 C13 57.1(11) . . . . ? 
 Pt1 P1 C12 C13 -179.3(8) . . . . ? 
 P1 C12 C13 C14 177.3(12) . . . . ? 
 C12 C13 C14 C15 -177.6(14) . . . . ? 
 C24 P2 C16 C17 -62.1(10) . . . . ? 
 C20 P2 C16 C17 -171.9(9) . . . . ? 
 Pt1 P2 C16 C17 60.8(10) . . . . ? 
 P2 C16 C17 C18 -170.3(11) . . . . ? 
 C16 C17 C18 C19 176.4(17) . . . . ? 
 C16 P2 C20 C21 173.5(8) . . . . ? 
 C24 P2 C20 C21 63.8(8) . . . . ? 
 Pt1 P2 C20 C21 -58.5(8) . . . . ? 
 P2 C20 C21 C22 172.4(8) . . . . ? 
 C20 C21 C22 C23 177.5(11) . . . . ? 
 C16 P2 C24 C25 -54.2(10) . . . . ? 
 C20 P2 C24 C25 55.9(10) . . . . ? 
 Pt1 P2 C24 C25 -179.7(8) . . . . ? 
 P2 C24 C25 C26 173.9(9) . . . . ? 
 C24 C25 C26 C27 -179.7(13) . . . . ? 
 
_refine_diff_density_max    1.305 
_refine_diff_density_min   -1.527 
_refine_diff_density_rms    0.145 

#===END