Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_global

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Peringer, Paul'
'Kopacka, Holger'
'Ongania, Karl-Hans'
'Schuh, Walter'
'Wachtler, Helmuth'
'Wurst, Klaus'

_publ_contact_author_name     	'Dr Paul Peringer'  
_publ_contact_author_address 
;
anorg. chemie
Universitat Innsbruck
Innrain 52a
Innsbruck
A-6020
AUSTRIA
;

_publ_contact_author_email       'PAUL.PERINGER@UIBK.AC.AT'

_publ_section_title		
;
P(CH2CH2PPh2)3 bridged group 10 dimetal centres
; 


data_kor 
_database_code_CSD                  179758

_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C45 H48 Cl8 P4 Pd2' 
_chemical_formula_weight          1209.11 
_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' 
'P'  'P'   0.1023   0.0942 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Cl'  'Cl'   0.1484   0.1585 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Pd'  'Pd'  -0.9988   1.0072 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x, y+1/2, -z+1/2' 
'-x, -y, -z' 
'x, -y-1/2, z-1/2' 

_cell_length_a                    12.450(2) 
_cell_length_b                    23.723(5) 
_cell_length_c                    17.271(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  102.40(1) 
_cell_angle_gamma                 90.00 
_cell_volume                      4982.0(14) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     218(2) 
_cell_measurement_reflns_used     31 
_cell_measurement_theta_min       5.4 
_cell_measurement_theta_max       12.5 

_exptl_crystal_description        prism 
_exptl_crystal_colour             red 
_exptl_crystal_size_max           0.45 
_exptl_crystal_size_mid           0.4 
_exptl_crystal_size_min           0.3  
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.612 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2424 
_exptl_absorpt_coefficient_mu     1.311 
_exptl_absorpt_correction_type    PSI-scan 
_exptl_absorpt_correction_T_min   0.798 
_exptl_absorpt_correction_T_max   0.963 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       218(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        'Bruker P4' 
_diffrn_measurement_method        omega-scans 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             7059 
_diffrn_reflns_av_R_equivalents   0.0229 
_diffrn_reflns_av_sigmaI/netI     0.0238 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        25 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          2.52 
_diffrn_reflns_theta_max          22.75 
_reflns_number_total              6703 
_reflns_number_observed           5704 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 269 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^)+(0.0238P)^2^+11.7192P] 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      SHELXL 
_refine_ls_extinction_coef        0.00076(6) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          6434 
_refine_ls_number_parameters      533 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0426 
_refine_ls_R_factor_obs           0.0313 
_refine_ls_wR_factor_all          0.0791 
_refine_ls_wR_factor_obs          0.0663 
_refine_ls_goodness_of_fit_all    1.071 
_refine_ls_goodness_of_fit_obs    1.100 
_refine_ls_restrained_S_all       1.204 
_refine_ls_restrained_S_obs       1.100 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_mean         0.000 

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 
Pd1 Pd 0.65363(2) 0.192996(13) 0.53328(2) 0.02019(10) Uani 1 d . . 
Pd2 Pd 0.81286(2) 0.206817(13) 0.65296(2) 0.02070(10) Uani 1 d . . 
P1 P 0.75846(8) 0.23360(4) 0.46181(6) 0.0223(2) Uani 1 d . . 
P2 P 0.52148(9) 0.18659(5) 0.41856(6) 0.0230(2) Uani 1 d . . 
P3 P 0.75931(9) 0.29998(4) 0.63764(6) 0.0226(2) Uani 1 d . . 
P4 P 0.89249(9) 0.13356(4) 0.59868(6) 0.0236(3) Uani 1 d . . 
Cl1 Cl 0.57137(9) 0.14095(5) 0.62450(7) 0.0351(3) Uani 1 d . . 
Cl2 Cl 0.91059(9) 0.19286(5) 0.79298(6) 0.0326(3) Uani 1 d . . 
Cl3 Cl 0.7503(2) 0.45006(7) 0.39293(10) 0.0897(6) Uani 1 d . . 
Cl4 Cl 0.54151(13) 0.39309(7) 0.33708(9) 0.0649(4) Uani 1 d . . 
Cl5 Cl 1.0934(2) 0.35077(12) 0.5209(2) 0.1358(10) Uani 1 d . . 
Cl6 Cl 1.1959(2) 0.34764(11) 0.6893(2) 0.1203(8) Uani 1 d . . 
Cl7 Cl 0.7498(2) 0.56276(14) 0.6382(2) 0.1424(11) Uani 1 d . . 
Cl8 Cl 0.9262(3) 0.50478(13) 0.5899(2) 0.1518(11) Uani 1 d . . 
C1 C 0.6720(5) 0.4086(2) 0.3171(3) 0.0528(14) Uani 1 d . . 
H1A H 0.7111 0.3733 0.3124 0.063 Uiso 1 calc . . 
H1B H 0.6624 0.4287 0.2666 0.063 Uiso 1 calc . . 
C2 C 1.1265(7) 0.3882(3) 0.6101(7) 0.117(3) Uani 1 d . . 
H2A H 1.1724 0.4206 0.6033 0.141 Uiso 1 calc . . 
H2B H 1.0586 0.4027 0.6229 0.141 Uiso 1 calc . . 
C3 C 0.8899(7) 0.5522(4) 0.6554(4) 0.101(3) Uani 1 d . . 
H3A H 0.9158 0.5383 0.7096 0.121 Uiso 1 calc . . 
H3B H 0.9263 0.5883 0.6509 0.121 Uiso 1 calc . . 
C12 C 0.6917(3) 0.2261(2) 0.3562(2) 0.0278(10) Uani 1 d . . 
H12A H 0.7200 0.2548 0.3249 0.033 Uiso 1 calc . . 
H12B H 0.7080 0.1889 0.3370 0.033 Uiso 1 calc . . 
C21 C 0.5667(3) 0.2332(2) 0.3465(2) 0.0283(10) Uani 1 d . . 
H21A H 0.5291 0.2231 0.2925 0.034 Uiso 1 calc . . 
H21B H 0.5491 0.2724 0.3562 0.034 Uiso 1 calc . . 
C13 C 0.7802(3) 0.3093(2) 0.4749(2) 0.0271(10) Uani 1 d . . 
H13A H 0.8295 0.3217 0.4411 0.033 Uiso 1 calc . . 
H13B H 0.7095 0.3284 0.4566 0.033 Uiso 1 calc . . 
C31 C 0.8287(3) 0.3280(2) 0.5601(2) 0.0258(10) Uani 1 d . . 
H31A H 0.8266 0.3693 0.5620 0.031 Uiso 1 calc . . 
H31B H 0.9061 0.3166 0.5737 0.031 Uiso 1 calc . . 
C14 C 0.8923(3) 0.2004(2) 0.4669(2) 0.0273(10) Uani 1 d . . 
H14A H 0.9124 0.2029 0.4152 0.033 Uiso 1 calc . . 
H14B H 0.9486 0.2201 0.5060 0.033 Uiso 1 calc . . 
C41 C 0.8872(3) 0.1386(2) 0.4907(2) 0.0292(10) Uani 1 d . . 
H41A H 0.9492 0.1180 0.4777 0.035 Uiso 1 calc . . 
H41B H 0.8189 0.1216 0.4611 0.035 Uiso 1 calc . . 
C201 C 0.5166(3) 0.1159(2) 0.3757(3) 0.0277(10) Uani 1 d . . 
C202 C 0.4847(4) 0.1060(2) 0.2943(3) 0.0380(12) Uani 1 d . . 
H202 H 0.4631 0.1362 0.2592 0.046 Uiso 1 calc . . 
C203 C 0.4849(4) 0.0510(2) 0.2651(3) 0.0506(14) Uani 1 d . . 
H203 H 0.4649 0.0443 0.2102 0.061 Uiso 1 calc . . 
C204 C 0.5144(4) 0.0064(2) 0.3167(3) 0.0476(14) Uani 1 d . . 
H204 H 0.5140 -0.0305 0.2969 0.057 Uiso 1 calc . . 
C205 C 0.5440(4) 0.0158(2) 0.3964(3) 0.0456(13) Uani 1 d . . 
H205 H 0.5630 -0.0149 0.4312 0.055 Uiso 1 calc . . 
C206 C 0.5464(4) 0.0703(2) 0.4265(3) 0.0362(11) Uani 1 d . . 
H206 H 0.5683 0.0763 0.4814 0.043 Uiso 1 calc . . 
C207 C 0.3794(3) 0.2057(2) 0.4157(2) 0.0243(9) Uani 1 d . . 
C208 C 0.3251(4) 0.2477(2) 0.3670(3) 0.0441(13) Uani 1 d . . 
H208 H 0.3626 0.2674 0.3337 0.053 Uiso 1 calc . . 
C209 C 0.2166(4) 0.2615(2) 0.3664(3) 0.0535(15) Uani 1 d . . 
H209 H 0.1812 0.2902 0.3329 0.064 Uiso 1 calc . . 
C210 C 0.1616(4) 0.2330(2) 0.4150(3) 0.0408(12) Uani 1 d . . 
H210 H 0.0876 0.2416 0.4139 0.049 Uiso 1 calc . . 
C211 C 0.2138(4) 0.1918(2) 0.4653(3) 0.0393(12) Uani 1 d . . 
H211 H 0.1762 0.1728 0.4993 0.047 Uiso 1 calc . . 
C212 C 0.3225(4) 0.1783(2) 0.4657(3) 0.0323(11) Uani 1 d . . 
H212 H 0.3581 0.1502 0.5002 0.039 Uiso 1 calc . . 
C301 C 0.6178(3) 0.3247(2) 0.6046(2) 0.0280(10) Uani 1 d . . 
C302 C 0.5929(4) 0.3761(2) 0.5647(3) 0.0440(13) Uani 1 d . . 
H302 H 0.6501 0.3997 0.5567 0.053 Uiso 1 calc . . 
C303 C 0.4850(5) 0.3924(3) 0.5373(3) 0.064(2) Uani 1 d . . 
H303 H 0.4693 0.4271 0.5110 0.077 Uiso 1 calc . . 
C304 C 0.4005(5) 0.3582(3) 0.5482(4) 0.070(2) Uani 1 d . . 
H304 H 0.3272 0.3691 0.5283 0.084 Uiso 1 calc . . 
C305 C 0.4232(4) 0.3074(3) 0.5887(4) 0.056(2) Uani 1 d . . 
H305 H 0.3654 0.2843 0.5970 0.067 Uiso 1 calc . . 
C306 C 0.5315(4) 0.2911(2) 0.6168(3) 0.0399(12) Uani 1 d . . 
H306 H 0.5467 0.2568 0.6444 0.048 Uiso 1 calc . . 
C307 C 0.8213(3) 0.3498(2) 0.7167(2) 0.0258(10) Uani 1 d . . 
C308 C 0.7675(4) 0.3967(2) 0.7375(3) 0.0368(11) Uani 1 d . . 
H308 H 0.6925 0.4023 0.7149 0.044 Uiso 1 calc . . 
C309 C 0.8240(5) 0.4355(2) 0.7917(3) 0.0504(14) Uani 1 d . . 
H309 H 0.7869 0.4670 0.8060 0.060 Uiso 1 calc . . 
C310 C 0.9336(4) 0.4278(2) 0.8244(3) 0.0431(13) Uani 1 d . . 
H310 H 0.9722 0.4547 0.8596 0.052 Uiso 1 calc . . 
C311 C 0.9868(4) 0.3806(2) 0.8052(3) 0.0391(12) Uani 1 d . . 
H311 H 1.0617 0.3750 0.8281 0.047 Uiso 1 calc . . 
C312 C 0.9309(4) 0.3416(2) 0.7530(3) 0.0316(11) Uani 1 d . . 
H312 H 0.9674 0.3089 0.7416 0.038 Uiso 1 calc . . 
C401 C 1.0436(3) 0.1334(2) 0.6325(2) 0.0279(10) Uani 1 d . . 
C402 C 1.0975(4) 0.1831(2) 0.6588(3) 0.0381(12) Uani 1 d . . 
H402 H 1.0566 0.2152 0.6661 0.046 Uiso 1 calc . . 
C403 C 1.2117(4) 0.1858(2) 0.6745(3) 0.0484(14) Uani 1 d . . 
H403 H 1.2472 0.2200 0.6913 0.058 Uiso 1 calc . . 
C404 C 1.2738(4) 0.1389(3) 0.6657(3) 0.0495(14) Uani 1 d . . 
H404 H 1.3510 0.1409 0.6766 0.059 Uiso 1 calc . . 
C405 C 1.2200(4) 0.0890(2) 0.6406(3) 0.0497(14) Uani 1 d . . 
H405 H 1.2613 0.0566 0.6351 0.060 Uiso 1 calc . . 
C406 C 1.1055(4) 0.0859(2) 0.6235(3) 0.0401(12) Uani 1 d . . 
H406 H 1.0701 0.0519 0.6058 0.048 Uiso 1 calc . . 
C407 C 0.8503(3) 0.0613(2) 0.6132(3) 0.0269(10) Uani 1 d . . 
C408 C 0.8197(4) 0.0226(2) 0.5522(3) 0.0401(12) Uani 1 d . . 
H408 H 0.8265 0.0321 0.5006 0.048 Uiso 1 calc . . 
C409 C 0.7791(4) -0.0299(2) 0.5667(3) 0.0455(13) Uani 1 d . . 
H409 H 0.7591 -0.0559 0.5249 0.055 Uiso 1 calc . . 
C410 C 0.7680(4) -0.0443(2) 0.6412(3) 0.0425(13) Uani 1 d . . 
H410 H 0.7389 -0.0796 0.6504 0.051 Uiso 1 calc . . 
C411 C 0.7999(4) -0.0066(2) 0.7029(3) 0.0450(13) Uani 1 d . . 
H411 H 0.7942 -0.0165 0.7546 0.054 Uiso 1 calc . . 
C412 C 0.8400(4) 0.0457(2) 0.6882(3) 0.0370(11) Uani 1 d . . 
H412 H 0.8608 0.0713 0.7304 0.044 Uiso 1 calc . . 

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 
Pd1 0.0185(2) 0.0238(2) 0.0185(2) 0.00072(13) 0.00436(13) -0.00279(13) 
Pd2 0.0199(2) 0.0219(2) 0.0200(2) -0.00192(13) 0.00361(13) 0.00036(13) 
P1 0.0205(6) 0.0248(6) 0.0222(6) 0.0004(5) 0.0064(5) -0.0025(5) 
P2 0.0208(6) 0.0258(6) 0.0217(6) 0.0003(5) 0.0029(5) -0.0029(5) 
P3 0.0217(6) 0.0231(6) 0.0240(6) -0.0007(5) 0.0073(5) -0.0008(5) 
P4 0.0234(6) 0.0232(6) 0.0244(6) -0.0019(5) 0.0056(5) 0.0015(5) 
Cl1 0.0336(6) 0.0407(7) 0.0327(6) 0.0097(5) 0.0111(5) -0.0067(5) 
Cl2 0.0309(6) 0.0405(7) 0.0241(6) -0.0024(5) 0.0011(5) 0.0031(5) 
Cl3 0.130(2) 0.0683(11) 0.0566(10) 0.0107(8) -0.0114(10) -0.0347(11) 
Cl4 0.0734(10) 0.0670(10) 0.0579(9) 0.0217(8) 0.0220(8) 0.0060(8) 
Cl5 0.098(2) 0.180(2) 0.151(2) -0.065(2) 0.076(2) -0.069(2) 
Cl6 0.098(2) 0.122(2) 0.156(2) -0.036(2) 0.062(2) 0.0121(14) 
Cl7 0.125(2) 0.195(3) 0.103(2) 0.022(2) 0.0161(15) 0.069(2) 
Cl8 0.159(3) 0.142(2) 0.159(3) -0.023(2) 0.045(2) 0.047(2) 
C1 0.062(4) 0.056(4) 0.036(3) 0.007(3) 0.000(3) 0.000(3) 
C2 0.092(6) 0.063(5) 0.211(11) -0.043(6) 0.065(7) -0.011(4) 
C3 0.116(7) 0.113(7) 0.069(5) 0.006(5) 0.006(5) 0.010(5) 
C12 0.033(2) 0.032(2) 0.019(2) -0.001(2) 0.006(2) -0.006(2) 
C21 0.025(2) 0.035(3) 0.023(2) 0.005(2) 0.001(2) -0.005(2) 
C13 0.033(2) 0.027(2) 0.024(2) 0.003(2) 0.011(2) -0.006(2) 
C31 0.025(2) 0.023(2) 0.031(2) -0.001(2) 0.009(2) -0.002(2) 
C14 0.021(2) 0.039(3) 0.024(2) -0.001(2) 0.010(2) 0.001(2) 
C41 0.028(2) 0.035(3) 0.026(2) -0.006(2) 0.009(2) 0.005(2) 
C201 0.021(2) 0.033(3) 0.030(3) -0.003(2) 0.008(2) -0.003(2) 
C202 0.041(3) 0.042(3) 0.030(3) -0.006(2) 0.007(2) -0.009(2) 
C203 0.052(3) 0.061(4) 0.039(3) -0.020(3) 0.009(3) -0.014(3) 
C204 0.040(3) 0.039(3) 0.063(4) -0.021(3) 0.007(3) -0.007(2) 
C205 0.044(3) 0.031(3) 0.058(4) -0.002(3) 0.002(3) 0.000(2) 
C206 0.037(3) 0.033(3) 0.035(3) -0.003(2) 0.001(2) -0.002(2) 
C207 0.024(2) 0.027(2) 0.020(2) -0.002(2) 0.001(2) -0.002(2) 
C208 0.033(3) 0.058(3) 0.045(3) 0.020(3) 0.016(2) 0.004(2) 
C209 0.037(3) 0.059(4) 0.063(4) 0.029(3) 0.010(3) 0.019(3) 
C210 0.023(2) 0.053(3) 0.046(3) 0.001(3) 0.005(2) -0.001(2) 
C211 0.032(3) 0.052(3) 0.036(3) 0.006(2) 0.012(2) -0.006(2) 
C212 0.030(3) 0.033(3) 0.033(3) 0.007(2) 0.006(2) 0.001(2) 
C301 0.025(2) 0.033(3) 0.027(2) -0.002(2) 0.008(2) 0.008(2) 
C302 0.036(3) 0.054(3) 0.045(3) 0.010(3) 0.016(2) 0.013(2) 
C303 0.050(4) 0.085(5) 0.058(4) 0.026(3) 0.012(3) 0.037(3) 
C304 0.039(3) 0.116(6) 0.052(4) -0.002(4) 0.000(3) 0.033(4) 
C305 0.024(3) 0.078(4) 0.067(4) -0.025(3) 0.014(3) -0.004(3) 
C306 0.037(3) 0.043(3) 0.042(3) -0.014(2) 0.013(2) -0.001(2) 
C307 0.034(3) 0.020(2) 0.025(2) 0.002(2) 0.012(2) -0.001(2) 
C308 0.038(3) 0.035(3) 0.037(3) -0.003(2) 0.006(2) 0.002(2) 
C309 0.072(4) 0.028(3) 0.050(3) -0.011(2) 0.012(3) 0.006(3) 
C310 0.063(4) 0.033(3) 0.030(3) -0.006(2) 0.002(3) -0.012(3) 
C311 0.044(3) 0.032(3) 0.036(3) 0.000(2) -0.004(2) -0.009(2) 
C312 0.035(3) 0.029(3) 0.028(2) -0.004(2) 0.004(2) 0.001(2) 
C401 0.023(2) 0.033(3) 0.029(2) 0.004(2) 0.008(2) 0.005(2) 
C402 0.032(3) 0.043(3) 0.039(3) -0.015(2) 0.007(2) 0.000(2) 
C403 0.031(3) 0.068(4) 0.048(3) -0.014(3) 0.012(2) -0.011(3) 
C404 0.025(3) 0.086(4) 0.038(3) 0.016(3) 0.007(2) 0.003(3) 
C405 0.036(3) 0.049(3) 0.068(4) 0.021(3) 0.019(3) 0.019(3) 
C406 0.037(3) 0.035(3) 0.050(3) 0.009(2) 0.013(2) 0.005(2) 
C407 0.020(2) 0.023(2) 0.037(3) 0.001(2) 0.002(2) 0.004(2) 
C408 0.050(3) 0.033(3) 0.033(3) -0.002(2) 0.000(2) -0.005(2) 
C409 0.052(3) 0.030(3) 0.049(3) -0.006(2) -0.003(3) -0.006(2) 
C410 0.035(3) 0.025(3) 0.066(4) 0.002(2) 0.008(3) -0.003(2) 
C411 0.055(3) 0.038(3) 0.048(3) 0.005(3) 0.024(3) -0.003(3) 
C412 0.046(3) 0.029(3) 0.039(3) -0.007(2) 0.014(2) -0.003(2) 

_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 
Pd1 P1 2.2014(11) . ? 
Pd1 P2 2.2925(11) . ? 
Pd1 Cl1 2.3976(11) . ? 
Pd1 Pd2 2.5593(6) . ? 
Pd2 P4 2.2980(11) . ? 
Pd2 P3 2.3072(12) . ? 
Pd2 Cl2 2.4848(11) . ? 
P1 C13 1.822(4) . ? 
P1 C14 1.828(4) . ? 
P1 C12 1.843(4) . ? 
P2 C207 1.817(4) . ? 
P2 C201 1.829(4) . ? 
P2 C21 1.841(4) . ? 
P3 C301 1.828(4) . ? 
P3 C307 1.845(4) . ? 
P3 C31 1.865(4) . ? 
P4 C407 1.826(4) . ? 
P4 C401 1.846(4) . ? 
P4 C41 1.856(4) . ? 
Cl3 C1 1.757(6) . ? 
Cl4 C1 1.770(6) . ? 
Cl5 C2 1.750(10) . ? 
Cl6 C2 1.743(11) . ? 
Cl7 C3 1.723(9) . ? 
Cl8 C3 1.723(9) . ? 
C12 C21 1.537(6) . ? 
C13 C31 1.532(6) . ? 
C14 C41 1.526(6) . ? 
C201 C206 1.393(6) . ? 
C201 C202 1.396(6) . ? 
C202 C203 1.399(7) . ? 
C203 C204 1.380(8) . ? 
C204 C205 1.363(7) . ? 
C205 C206 1.392(7) . ? 
C207 C208 1.383(6) . ? 
C207 C212 1.390(6) . ? 
C208 C209 1.387(7) . ? 
C209 C210 1.372(7) . ? 
C210 C211 1.375(7) . ? 
C211 C212 1.389(6) . ? 
C301 C306 1.390(6) . ? 
C301 C302 1.404(6) . ? 
C302 C303 1.380(7) . ? 
C303 C304 1.374(9) . ? 
C304 C305 1.390(9) . ? 
C305 C306 1.386(7) . ? 
C307 C308 1.385(6) . ? 
C307 C312 1.388(6) . ? 
C308 C309 1.391(7) . ? 
C309 C310 1.372(7) . ? 
C310 C311 1.378(7) . ? 
C311 C312 1.373(6) . ? 
C401 C402 1.383(6) . ? 
C401 C406 1.393(6) . ? 
C402 C403 1.391(7) . ? 
C403 C404 1.381(7) . ? 
C404 C405 1.383(8) . ? 
C405 C406 1.395(7) . ? 
C407 C412 1.379(6) . ? 
C407 C408 1.387(6) . ? 
C408 C409 1.388(7) . ? 
C409 C410 1.366(7) . ? 
C410 C411 1.383(7) . ? 
C411 C412 1.381(7) . ? 

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 Pd1 P2 86.92(4) . . ? 
P1 Pd1 Cl1 169.13(4) . . ? 
P2 Pd1 Cl1 101.84(4) . . ? 
P1 Pd1 Pd2 86.97(3) . . ? 
P2 Pd1 Pd2 173.81(3) . . ? 
Cl1 Pd1 Pd2 84.34(3) . . ? 
P4 Pd2 P3 144.78(4) . . ? 
P4 Pd2 Cl2 97.60(4) . . ? 
P3 Pd2 Cl2 107.96(4) . . ? 
P4 Pd2 Pd1 84.31(3) . . ? 
P3 Pd2 Pd1 82.85(3) . . ? 
Cl2 Pd2 Pd1 154.35(3) . . ? 
C13 P1 C14 108.0(2) . . ? 
C13 P1 C12 104.0(2) . . ? 
C14 P1 C12 102.7(2) . . ? 
C13 P1 Pd1 116.82(14) . . ? 
C14 P1 Pd1 115.37(14) . . ? 
C12 P1 Pd1 108.47(14) . . ? 
C207 P2 C201 105.7(2) . . ? 
C207 P2 C21 105.6(2) . . ? 
C201 P2 C21 105.4(2) . . ? 
C207 P2 Pd1 121.40(13) . . ? 
C201 P2 Pd1 111.47(14) . . ? 
C21 P2 Pd1 106.11(13) . . ? 
C301 P3 C307 104.3(2) . . ? 
C301 P3 C31 103.0(2) . . ? 
C307 P3 C31 96.8(2) . . ? 
C301 P3 Pd2 125.32(15) . . ? 
C307 P3 Pd2 117.66(14) . . ? 
C31 P3 Pd2 104.91(13) . . ? 
C407 P4 C401 105.0(2) . . ? 
C407 P4 C41 104.5(2) . . ? 
C401 P4 C41 97.6(2) . . ? 
C407 P4 Pd2 119.46(14) . . ? 
C401 P4 Pd2 111.81(14) . . ? 
C41 P4 Pd2 115.82(14) . . ? 
Cl3 C1 Cl4 110.9(3) . . ? 
Cl6 C2 Cl5 113.2(4) . . ? 
Cl7 C3 Cl8 112.3(5) . . ? 
C21 C12 P1 109.2(3) . . ? 
C12 C21 P2 108.1(3) . . ? 
C31 C13 P1 115.0(3) . . ? 
C13 C31 P3 115.9(3) . . ? 
C41 C14 P1 109.6(3) . . ? 
C14 C41 P4 109.7(3) . . ? 
C206 C201 C202 118.9(4) . . ? 
C206 C201 P2 118.5(3) . . ? 
C202 C201 P2 122.7(3) . . ? 
C201 C202 C203 119.9(5) . . ? 
C204 C203 C202 120.1(5) . . ? 
C205 C204 C203 120.3(5) . . ? 
C204 C205 C206 120.5(5) . . ? 
C205 C206 C201 120.4(4) . . ? 
C208 C207 C212 117.9(4) . . ? 
C208 C207 P2 122.8(3) . . ? 
C212 C207 P2 119.3(3) . . ? 
C207 C208 C209 121.5(4) . . ? 
C210 C209 C208 119.5(4) . . ? 
C209 C210 C211 120.5(4) . . ? 
C210 C211 C212 119.6(4) . . ? 
C211 C212 C207 121.0(4) . . ? 
C306 C301 C302 118.5(4) . . ? 
C306 C301 P3 119.6(3) . . ? 
C302 C301 P3 121.9(3) . . ? 
C303 C302 C301 120.5(5) . . ? 
C304 C303 C302 120.3(5) . . ? 
C303 C304 C305 120.2(5) . . ? 
C306 C305 C304 119.7(5) . . ? 
C305 C306 C301 120.8(5) . . ? 
C308 C307 C312 118.6(4) . . ? 
C308 C307 P3 123.9(3) . . ? 
C312 C307 P3 117.3(3) . . ? 
C307 C308 C309 120.2(4) . . ? 
C310 C309 C308 120.3(5) . . ? 
C309 C310 C311 119.7(4) . . ? 
C312 C311 C310 120.2(4) . . ? 
C311 C312 C307 120.9(4) . . ? 
C402 C401 C406 119.0(4) . . ? 
C402 C401 P4 119.5(3) . . ? 
C406 C401 P4 121.1(3) . . ? 
C401 C402 C403 120.5(4) . . ? 
C404 C403 C402 120.9(5) . . ? 
C403 C404 C405 118.6(4) . . ? 
C404 C405 C406 121.0(5) . . ? 
C401 C406 C405 120.0(5) . . ? 
C412 C407 C408 118.1(4) . . ? 
C412 C407 P4 117.9(3) . . ? 
C408 C407 P4 123.8(3) . . ? 
C407 C408 C409 120.5(4) . . ? 
C410 C409 C408 120.5(5) . . ? 
C409 C410 C411 119.7(4) . . ? 
C412 C411 C410 119.6(5) . . ? 
C407 C412 C411 121.6(4) . . ? 

_refine_diff_density_max    0.462 
_refine_diff_density_min   -0.424 
_refine_diff_density_rms    0.069 

data_kon 
_database_code_CSD                  179759

_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C65 H77 Cl4 O5 P5 Pt2' 
_chemical_formula_weight          1625.10 
_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' 
'P'  'P'   0.1023   0.0942 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Cl'  'Cl'   0.1484   0.1585 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'O'  'O'   0.0106   0.0060 
'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' 

_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/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                    13.933(8) 
_cell_length_b                    32.568(7) 
_cell_length_c                    15.599(13) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  111.84(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      6570.3(68) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     213(2) 
_cell_measurement_reflns_used     26 
_cell_measurement_theta_min       5.0 
_cell_measurement_theta_max       12.5 

_exptl_crystal_description        prism 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.6 
_exptl_crystal_size_mid           0.4 
_exptl_crystal_size_min           0.25 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.643 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              3224 
_exptl_absorpt_coefficient_mu     4.585 
_exptl_absorpt_correction_type    psi-scan 
_exptl_absorpt_correction_T_min   0.764 
_exptl_absorpt_correction_T_max   0.984 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       213(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        'Bruker P4' 
_diffrn_measurement_method        omega-scans 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         0 
_diffrn_reflns_number             8100 
_diffrn_reflns_av_R_equivalents   0.0601 
_diffrn_reflns_av_sigmaI/netI     0.0748 
_diffrn_reflns_limit_h_min        -1 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -1 
_diffrn_reflns_limit_k_max        32 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          2.50 
_diffrn_reflns_theta_max          20.99 
_reflns_number_total              6703 
_reflns_number_observed           4898 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
3:2 disorder of the hydroxyl group of one methanol: O3: O3a
; 

_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
'calc w=1/[\s^2^(Fo^2^)+(0.0468P)^2^+107.5350P] 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          6032 
_refine_ls_number_parameters      729 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0946 
_refine_ls_R_factor_obs           0.0518 
_refine_ls_wR_factor_all          0.2365 
_refine_ls_wR_factor_obs          0.1182 
_refine_ls_goodness_of_fit_all    1.063 
_refine_ls_goodness_of_fit_obs    1.121 
_refine_ls_restrained_S_all       1.917 
_refine_ls_restrained_S_obs       1.121 
_refine_ls_shift/esd_max          -0.004 
_refine_ls_shift/esd_mean         0.000 

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 0.60837(5) 0.13113(2) 0.82443(4) 0.0255(2) Uani 1 d . . 
Pt2 Pt 0.42318(5) 0.10437(2) 0.72523(4) 0.0242(2) Uani 1 d . . 
P1 P 0.5502(3) 0.15013(13) 0.9304(3) 0.0294(11) Uani 1 d . . 
P2 P 0.7646(3) 0.15639(13) 0.9155(3) 0.0308(11) Uani 1 d . . 
P3 P 0.3813(3) 0.17347(12) 0.7075(3) 0.0264(10) Uani 1 d . . 
P4 P 0.4759(3) 0.05160(12) 0.8297(3) 0.0281(10) Uani 1 d . . 
P5 P 0.2977(3) 0.07530(12) 0.5936(3) 0.0269(10) Uani 1 d . . 
C1 C 0.8409(12) 0.1895(5) 0.8740(11) 0.039(5) Uani 1 d . . 
C2 C 0.8507(15) 0.1807(6) 0.7906(13) 0.057(6) Uani 1 d . . 
H2 H 0.8136 0.1585 0.7551 0.068 Uiso 1 calc . . 
C3 C 0.9146(18) 0.2042(8) 0.7575(16) 0.077(7) Uani 1 d . . 
H3 H 0.9235 0.1966 0.7028 0.093 Uiso 1 calc . . 
C4 C 0.9626(17) 0.2375(8) 0.8047(16) 0.077(8) Uani 1 d . . 
H4 H 1.0030 0.2539 0.7815 0.092 Uiso 1 calc . . 
C5 C 0.9531(19) 0.2482(7) 0.8882(18) 0.084(8) Uani 1 d . . 
H5 H 0.9880 0.2713 0.9214 0.101 Uiso 1 calc . . 
C6 C 0.8921(18) 0.2247(7) 0.9217(14) 0.072(7) Uani 1 d . . 
H6 H 0.8847 0.2323 0.9770 0.086 Uiso 1 calc . . 
C7 C 0.8586(13) 0.1173(5) 0.9761(10) 0.035(4) Uani 1 d . . 
C8 C 0.9573(15) 0.1269(6) 1.0333(16) 0.073(7) Uani 1 d . . 
H8 H 0.9787 0.1544 1.0436 0.087 Uiso 1 calc . . 
C9 C 1.0249(20) 0.0955(9) 1.0759(19) 0.114(12) Uani 1 d . . 
H9 H 1.0921 0.1025 1.1159 0.137 Uiso 1 calc . . 
C10 C 1.0011(18) 0.0569(8) 1.0638(16) 0.076(7) Uani 1 d . . 
H10 H 1.0509 0.0368 1.0934 0.092 Uiso 1 calc . . 
C11 C 0.9018(17) 0.0451(6) 1.0070(17) 0.070(7) Uani 1 d . . 
H11 H 0.8827 0.0173 0.9979 0.085 Uiso 1 calc . . 
C12 C 0.8316(15) 0.0761(6) 0.9640(15) 0.063(6) Uani 1 d . . 
H12 H 0.7638 0.0689 0.9258 0.076 Uiso 1 calc . . 
C13 C 0.4637(12) 0.2129(4) 0.6924(10) 0.024(4) Uani 1 d . . 
C14 C 0.5450(14) 0.2048(5) 0.6631(12) 0.041(5) Uani 1 d . . 
H14 H 0.5589 0.1773 0.6532 0.049 Uiso 1 calc . . 
C15 C 0.6057(15) 0.2351(6) 0.6479(13) 0.051(5) Uani 1 d . . 
H15 H 0.6542 0.2286 0.6212 0.061 Uiso 1 calc . . 
C16 C 0.5949(16) 0.2740(5) 0.6717(12) 0.051(6) Uani 1 d . . 
H16 H 0.6421 0.2941 0.6694 0.061 Uiso 1 calc . . 
C17 C 0.5138(15) 0.2848(5) 0.6998(11) 0.040(5) Uani 1 d . . 
H17 H 0.5032 0.3123 0.7124 0.048 Uiso 1 calc . . 
C18 C 0.4498(13) 0.2539(5) 0.7085(10) 0.036(4) Uani 1 d . . 
H18 H 0.3944 0.2610 0.7262 0.043 Uiso 1 calc . . 
C19 C 0.2548(13) 0.1898(5) 0.6221(12) 0.036(5) Uani 1 d . . 
C20 C 0.1661(16) 0.1951(6) 0.6398(13) 0.050(5) Uani 1 d . . 
H20 H 0.1689 0.1923 0.7007 0.060 Uiso 1 calc . . 
C21 C 0.0727(14) 0.2043(6) 0.5702(16) 0.065(7) Uani 1 d . . 
H21 H 0.0136 0.2087 0.5843 0.078 Uiso 1 calc . . 
C22 C 0.0667(16) 0.2069(6) 0.4835(14) 0.049(5) Uiso 1 d . . 
H22 H 0.0012 0.2106 0.4367 0.059 Uiso 1 calc . . 
C23 C 0.1512(18) 0.2044(5) 0.4591(12) 0.064(7) Uani 1 d . . 
H23 H 0.1458 0.2087 0.3979 0.076 Uiso 1 calc . . 
C24 C 0.2484(13) 0.1951(5) 0.5311(11) 0.043(5) Uani 1 d . . 
H24 H 0.3082 0.1925 0.5171 0.052 Uiso 1 calc . . 
C25 C 0.3656(13) 0.0196(5) 0.8289(10) 0.033(4) Uani 1 d . . 
C26 C 0.3659(13) -0.0231(5) 0.8290(11) 0.040(5) Uani 1 d . . 
H26 H 0.4259 -0.0373 0.8319 0.048 Uiso 1 calc . . 
C27 C 0.2816(18) -0.0445(6) 0.8249(12) 0.051(6) Uani 1 d . . 
H27 H 0.2836 -0.0734 0.8252 0.062 Uiso 1 calc . . 
C28 C 0.1952(17) -0.0252(8) 0.8204(13) 0.063(6) Uani 1 d . . 
H28 H 0.1360 -0.0403 0.8156 0.075 Uiso 1 calc . . 
C29 C 0.1937(17) 0.0177(7) 0.8228(14) 0.066(6) Uani 1 d . . 
H29 H 0.1337 0.0314 0.8213 0.079 Uiso 1 calc . . 
C30 C 0.2778(14) 0.0396(5) 0.8273(12) 0.040(5) Uani 1 d . . 
H30 H 0.2764 0.0684 0.8293 0.048 Uiso 1 calc . . 
C31 C 0.5712(11) 0.0128(4) 0.8291(11) 0.027(4) Uani 1 d . . 
C32 C 0.5701(14) 0.0008(5) 0.7442(12) 0.047(5) Uani 1 d . . 
H32 H 0.5294 0.0149 0.6903 0.057 Uiso 1 calc . . 
C33 C 0.6308(15) -0.0329(5) 0.7391(12) 0.049(5) Uani 1 d . . 
H33 H 0.6302 -0.0418 0.6815 0.059 Uiso 1 calc . . 
C34 C 0.6920(15) -0.0532(6) 0.8199(14) 0.055(6) Uani 1 d . . 
H34 H 0.7314 -0.0761 0.8162 0.067 Uiso 1 calc . . 
C35 C 0.6953(13) -0.0404(5) 0.9023(12) 0.039(5) Uani 1 d . . 
H35 H 0.7383 -0.0537 0.9564 0.047 Uiso 1 calc . . 
C36 C 0.6354(13) -0.0075(5) 0.9076(11) 0.039(5) Uani 1 d . . 
H36 H 0.6380 0.0013 0.9658 0.047 Uiso 1 calc . . 
C37 C 0.3044(13) 0.1013(4) 0.4927(11) 0.031(4) Uani 1 d . . 
C38 C 0.4013(13) 0.1145(5) 0.4959(11) 0.043(5) Uani 1 d . . 
H38 H 0.4604 0.1093 0.5490 0.051 Uiso 1 calc . . 
C39 C 0.4116(14) 0.1352(5) 0.4216(12) 0.043(5) Uani 1 d . . 
H39 H 0.4767 0.1445 0.4249 0.051 Uiso 1 calc . . 
C40 C 0.3262(21) 0.1418(6) 0.3439(13) 0.060(6) Uani 1 d . . 
H40 H 0.3329 0.1556 0.2935 0.072 Uiso 1 calc . . 
C41 C 0.2311(17) 0.1286(6) 0.3385(11) 0.049(5) Uani 1 d . . 
H41 H 0.1729 0.1338 0.2847 0.059 Uiso 1 calc . . 
C42 C 0.2194(12) 0.1077(5) 0.4114(12) 0.038(4) Uani 1 d . . 
H42 H 0.1540 0.0977 0.4058 0.045 Uiso 1 calc . . 
C43 C 0.1619(12) 0.0760(5) 0.5810(11) 0.034(4) Uani 1 d . . 
C44 C 0.0867(13) 0.0522(5) 0.5138(11) 0.039(5) Uani 1 d . . 
H44 H 0.1072 0.0348 0.4757 0.047 Uiso 1 calc . . 
C45 C -0.0148(14) 0.0536(5) 0.5026(13) 0.042(5) Uani 1 d . . 
H45 H -0.0645 0.0391 0.4543 0.050 Uiso 1 calc . . 
C46 C -0.0436(14) 0.0765(6) 0.5626(15) 0.057(6) Uani 1 d . . 
H46 H -0.1132 0.0767 0.5569 0.068 Uiso 1 calc . . 
C47 C 0.0291(14) 0.0998(6) 0.6327(14) 0.051(5) Uani 1 d . . 
H47 H 0.0082 0.1159 0.6727 0.061 Uiso 1 calc . . 
C48 C 0.1336(14) 0.0988(5) 0.6425(12) 0.043(5) Uani 1 d . . 
H48 H 0.1836 0.1135 0.6903 0.051 Uiso 1 calc . . 
C49 C 0.3144(11) 0.0221(4) 0.5668(9) 0.025(4) Uani 1 d . . 
C50 C 0.2811(13) -0.0094(5) 0.6089(11) 0.038(4) Uiso 1 d . . 
H50 H 0.2458 -0.0030 0.6482 0.046 Uiso 1 calc . . 
C51 C 0.2991(13) -0.0506(5) 0.5939(11) 0.039(5) Uani 1 d . . 
H51 H 0.2776 -0.0717 0.6240 0.047 Uiso 1 calc . . 
C52 C 0.3485(13) -0.0599(5) 0.5347(12) 0.043(5) Uani 1 d . . 
H52 H 0.3599 -0.0876 0.5240 0.052 Uiso 1 calc . . 
C53 C 0.3818(13) -0.0291(5) 0.4905(12) 0.037(4) Uani 1 d . . 
H53 H 0.4158 -0.0355 0.4502 0.045 Uiso 1 calc . . 
C54 C 0.3636(14) 0.0106(5) 0.5077(12) 0.045(5) Uani 1 d . . 
H54 H 0.3856 0.0314 0.4776 0.054 Uiso 1 calc . . 
C55 C 0.6613(13) 0.1650(5) 1.0334(11) 0.041(5) Uani 1 d . . 
H55A H 0.6386 0.1838 1.0711 0.049 Uiso 1 calc . . 
H55B H 0.6909 0.1406 1.0705 0.049 Uiso 1 calc . . 
C56 C 0.7428(14) 0.1858(5) 1.0057(11) 0.042(5) Uani 1 d . . 
H56A H 0.8075 0.1880 1.0596 0.051 Uiso 1 calc . . 
H56B H 0.7200 0.2136 0.9833 0.051 Uiso 1 calc . . 
C57 C 0.4637(13) 0.1939(5) 0.9007(11) 0.037(4) Uani 1 d . . 
H57A H 0.4445 0.2002 0.9537 0.044 Uiso 1 calc . . 
H57B H 0.5019 0.2176 0.8912 0.044 Uiso 1 calc . . 
C58 C 0.3635(12) 0.1892(5) 0.8145(11) 0.037(4) Uani 1 d . . 
H58A H 0.3265 0.2155 0.8031 0.044 Uiso 1 calc . . 
H58B H 0.3193 0.1688 0.8282 0.044 Uiso 1 calc . . 
C59 C 0.4841(13) 0.1099(5) 0.9681(11) 0.037(4) Uani 1 d . . 
H59A H 0.4965 0.1137 1.0337 0.045 Uiso 1 calc . . 
H59B H 0.4095 0.1119 0.9332 0.045 Uiso 1 calc . . 
C60 C 0.5225(12) 0.0674(5) 0.9533(10) 0.032(4) Uani 1 d . . 
H60A H 0.4995 0.0471 0.9879 0.038 Uiso 1 calc . . 
H60B H 0.5982 0.0675 0.9785 0.038 Uiso 1 calc . . 
Cl1 Cl 0.6507(3) 0.10187(13) 0.7021(3) 0.0375(11) Uani 1 d . . 
Cl2 Cl 0.2269(5) 0.2877(2) 0.7932(4) 0.077(2) Uani 1 d . . 
Cl3 Cl 0.8882(8) -0.0107(3) 0.7070(6) 0.149(4) Uani 1 d . . 
Cl4 Cl 0.9338(8) 0.0671(3) 0.7990(7) 0.151(4) Uani 1 d . . 
O1 O 0.3416(12) 0.3570(5) 0.7337(10) 0.083(5) Uani 1 d . . 
O2 O 0.0206(14) 0.3333(8) 0.6905(15) 0.141(9) Uani 1 d . . 
O3 O 0.1699(26) 0.3216(10) 0.9581(21) 0.108(10) Uani 0.60 d P . 
O3A O 0.2848(33) 0.2860(16) 1.0033(26) 0.107(15) Uani 0.40 d P . 
O4 O -0.2794(24) 0.3674(8) 0.4265(19) 0.168(10) Uani 1 d . . 
O5 O -0.1923(12) 0.3027(8) 0.5596(11) 0.133(9) Uani 1 d . . 
C61 C 0.8381(28) 0.0343(9) 0.7344(23) 0.137(13) Uani 1 d . . 
H61A H 0.7950 0.0482 0.6772 0.164 Uiso 1 calc . . 
H61B H 0.7941 0.0274 0.7688 0.164 Uiso 1 calc . . 
C62 C 0.4115(20) 0.3770(7) 0.8136(17) 0.097(9) Uani 1 d . . 
C63 C 0.0371(24) 0.3700(7) 0.7329(19) 0.103(10) Uani 1 d . . 
C64 C 0.2581(21) 0.3326(8) 1.0219(19) 0.098(9) Uani 1 d . . 
C65 C -0.3577(20) 0.3520(11) 0.3924(19) 0.110(12) Uani 1 d . . 

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 0.0247(4) 0.0226(3) 0.0217(3) -0.0037(3) -0.0002(3) -0.0009(3) 
Pt2 0.0240(4) 0.0192(3) 0.0208(3) -0.0003(3) -0.0017(3) 0.0005(3) 
P1 0.029(3) 0.030(2) 0.024(2) -0.004(2) 0.004(2) 0.001(2) 
P2 0.027(3) 0.030(2) 0.027(2) -0.005(2) 0.001(2) -0.001(2) 
P3 0.031(3) 0.019(2) 0.024(2) 0.000(2) 0.003(2) 0.003(2) 
P4 0.029(3) 0.023(2) 0.023(2) 0.003(2) -0.002(2) 0.003(2) 
P5 0.024(3) 0.022(2) 0.023(2) -0.001(2) -0.005(2) -0.002(2) 
C1 0.026(11) 0.042(11) 0.034(11) -0.007(9) -0.005(8) 0.002(8) 
C2 0.046(13) 0.077(15) 0.043(12) -0.012(11) 0.012(10) -0.036(11) 
C3 0.063(16) 0.096(19) 0.076(16) -0.007(14) 0.031(13) -0.030(14) 
C4 0.070(16) 0.090(18) 0.071(16) 0.032(14) 0.027(13) -0.054(14) 
C5 0.092(20) 0.070(16) 0.093(20) -0.015(14) 0.038(16) -0.059(15) 
C6 0.085(17) 0.068(15) 0.051(13) -0.010(12) 0.012(12) -0.033(14) 
C7 0.043(12) 0.039(11) 0.016(9) -0.001(8) 0.002(8) 0.011(9) 
C8 0.035(12) 0.045(12) 0.095(17) -0.006(12) -0.027(12) 0.020(11) 
C9 0.071(18) 0.097(22) 0.109(22) -0.054(18) -0.041(16) 0.042(17) 
C10 0.054(17) 0.089(20) 0.064(15) 0.021(15) -0.002(13) 0.033(15) 
C11 0.058(16) 0.034(12) 0.117(20) 0.031(13) 0.030(15) 0.015(11) 
C12 0.048(13) 0.053(14) 0.087(16) 0.016(12) 0.023(12) 0.004(11) 
C13 0.026(10) 0.018(9) 0.022(9) -0.011(7) 0.001(8) 0.003(7) 
C14 0.047(13) 0.029(10) 0.045(11) 0.010(9) 0.016(10) 0.012(9) 
C15 0.055(14) 0.041(13) 0.065(14) 0.006(10) 0.032(11) 0.005(10) 
C16 0.070(15) 0.030(12) 0.040(11) 0.006(9) 0.005(11) -0.021(10) 
C17 0.058(13) 0.027(10) 0.038(11) -0.010(8) 0.021(10) -0.015(10) 
C18 0.048(12) 0.032(11) 0.017(9) 0.002(8) 0.001(8) 0.014(9) 
C19 0.030(12) 0.018(9) 0.043(12) 0.012(8) -0.006(9) -0.004(8) 
C20 0.041(14) 0.045(12) 0.060(13) 0.004(10) 0.013(11) -0.006(10) 
C21 0.024(12) 0.045(12) 0.098(18) 0.004(12) -0.010(12) 0.004(9) 
C23 0.111(19) 0.025(11) 0.036(11) 0.015(9) 0.005(12) 0.013(11) 
C24 0.035(11) 0.034(10) 0.034(11) -0.002(9) -0.018(9) 0.025(8) 
C25 0.042(12) 0.038(11) 0.010(8) 0.002(8) 0.001(8) -0.004(9) 
C26 0.037(12) 0.036(11) 0.022(9) 0.007(8) -0.017(8) 0.006(9) 
C27 0.068(16) 0.041(12) 0.034(11) 0.013(9) 0.006(11) -0.030(12) 
C28 0.044(15) 0.081(18) 0.046(13) 0.001(12) -0.004(11) -0.024(13) 
C29 0.060(16) 0.074(17) 0.053(14) -0.003(12) 0.007(11) -0.010(13) 
C30 0.027(12) 0.044(11) 0.046(12) -0.003(9) 0.009(9) -0.013(10) 
C31 0.024(10) 0.017(8) 0.036(11) -0.002(8) 0.007(8) 0.000(7) 
C32 0.058(13) 0.036(11) 0.037(12) -0.001(9) 0.005(10) 0.004(10) 
C33 0.059(13) 0.042(11) 0.033(11) -0.001(9) 0.000(10) 0.019(10) 
C34 0.063(14) 0.037(11) 0.063(14) -0.015(11) 0.020(11) 0.022(10) 
C35 0.033(11) 0.024(10) 0.040(11) -0.009(8) -0.011(8) 0.009(8) 
C36 0.036(11) 0.023(10) 0.041(11) -0.005(8) -0.006(9) -0.008(9) 
C37 0.032(12) 0.017(9) 0.040(11) 0.005(8) 0.009(9) 0.007(8) 
C38 0.031(12) 0.054(12) 0.028(10) 0.006(9) -0.007(8) 0.014(9) 
C39 0.051(13) 0.042(11) 0.035(11) 0.011(9) 0.016(10) 0.003(9) 
C40 0.119(21) 0.037(12) 0.040(13) 0.001(9) 0.048(15) 0.002(13) 
C41 0.072(16) 0.042(11) 0.024(10) 0.006(9) 0.007(10) 0.017(11) 
C42 0.033(11) 0.026(9) 0.046(11) 0.007(9) 0.005(9) 0.010(8) 
C43 0.032(11) 0.019(9) 0.038(10) 0.007(8) -0.003(9) 0.008(8) 
C44 0.024(12) 0.035(10) 0.037(10) 0.007(9) -0.014(9) 0.002(8) 
C45 0.034(14) 0.024(10) 0.055(12) 0.007(9) 0.001(10) -0.010(8) 
C46 0.026(12) 0.055(13) 0.078(15) -0.006(12) 0.006(11) -0.004(10) 
C47 0.021(12) 0.057(13) 0.077(14) -0.011(11) 0.022(10) 0.003(10) 
C48 0.046(14) 0.025(10) 0.047(11) -0.019(9) 0.006(9) -0.012(9) 
C49 0.026(10) 0.025(9) 0.011(8) -0.002(7) -0.008(7) -0.004(7) 
C51 0.045(12) 0.015(9) 0.038(10) 0.000(8) -0.004(9) 0.000(8) 
C52 0.039(12) 0.040(12) 0.043(11) -0.028(10) 0.007(9) 0.019(9) 
C53 0.033(11) 0.023(10) 0.045(11) 0.004(9) 0.003(9) -0.008(8) 
C54 0.052(13) 0.032(12) 0.043(11) -0.006(9) 0.010(10) -0.016(9) 
C55 0.033(11) 0.054(12) 0.026(9) -0.008(9) 0.000(8) -0.016(9) 
C56 0.053(12) 0.024(9) 0.028(10) 0.006(8) -0.009(9) 0.005(9) 
C57 0.044(11) 0.028(9) 0.032(10) -0.001(8) 0.008(9) 0.006(8) 
C58 0.021(10) 0.045(11) 0.038(10) 0.000(9) 0.004(8) 0.001(8) 
C59 0.042(11) 0.043(11) 0.031(10) 0.008(8) 0.019(8) 0.014(9) 
C60 0.029(10) 0.030(10) 0.024(9) -0.001(7) -0.005(8) -0.012(8) 
Cl1 0.039(3) 0.035(2) 0.035(2) -0.007(2) 0.008(2) -0.002(2) 
Cl2 0.095(5) 0.057(3) 0.085(4) -0.006(3) 0.040(4) 0.019(3) 
Cl3 0.166(9) 0.142(8) 0.124(7) -0.010(6) 0.037(6) 0.026(7) 
Cl4 0.141(8) 0.158(9) 0.173(9) -0.040(7) 0.081(7) -0.012(7) 
O1 0.081(11) 0.079(11) 0.069(10) -0.011(9) 0.005(9) -0.010(9) 
O2 0.080(13) 0.169(22) 0.136(18) 0.058(17) -0.005(12) -0.025(14) 
O3 0.115(27) 0.142(29) 0.095(23) -0.018(20) 0.072(21) -0.014(22) 
O3A 0.098(34) 0.146(44) 0.056(25) 0.026(27) 0.004(23) 0.000(31) 
O4 0.214(30) 0.149(22) 0.185(27) -0.003(19) 0.125(25) -0.012(21) 
O5 0.050(11) 0.279(28) 0.068(11) 0.001(14) 0.019(9) 0.009(13) 
C61 0.186(34) 0.079(20) 0.156(30) -0.064(21) 0.074(26) -0.002(21) 
C62 0.106(21) 0.061(15) 0.080(17) -0.019(14) -0.015(15) 0.016(14) 
C63 0.152(27) 0.037(13) 0.099(20) -0.004(14) 0.022(18) 0.033(16) 
C64 0.078(19) 0.076(19) 0.103(21) 0.019(16) -0.010(16) 0.021(15) 
C65 0.056(17) 0.162(31) 0.075(18) -0.004(18) -0.017(14) -0.062(19) 

_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 P1 2.183(4) . ? 
Pt1 P2 2.266(4) . ? 
Pt1 Cl1 2.395(4) . ? 
Pt1 Pt2 2.616(2) . ? 
Pt2 P4 2.293(4) . ? 
Pt2 P3 2.315(4) . ? 
Pt2 P5 2.345(4) . ? 
P1 C57 1.81(2) . ? 
P1 C59 1.82(2) . ? 
P1 C55 1.83(2) . ? 
P2 C1 1.80(2) . ? 
P2 C7 1.82(2) . ? 
P2 C56 1.82(2) . ? 
P3 C13 1.80(2) . ? 
P3 C58 1.85(2) . ? 
P3 C19 1.85(2) . ? 
P4 C31 1.83(2) . ? 
P4 C25 1.85(2) . ? 
P4 C60 1.86(2) . ? 
P5 C49 1.82(2) . ? 
P5 C37 1.82(2) . ? 
P5 C43 1.83(2) . ? 
C1 C2 1.39(2) . ? 
C1 C6 1.41(3) . ? 
C2 C3 1.41(3) . ? 
C3 C4 1.34(3) . ? 
C4 C5 1.40(3) . ? 
C5 C6 1.38(3) . ? 
C7 C8 1.37(2) . ? 
C7 C12 1.39(3) . ? 
C8 C9 1.38(3) . ? 
C9 C10 1.30(3) . ? 
C10 C11 1.39(3) . ? 
C11 C12 1.39(3) . ? 
C13 C18 1.38(2) . ? 
C13 C14 1.40(2) . ? 
C14 C15 1.38(2) . ? 
C15 C16 1.35(3) . ? 
C16 C17 1.40(3) . ? 
C17 C18 1.39(2) . ? 
C19 C20 1.37(3) . ? 
C19 C24 1.40(2) . ? 
C20 C21 1.38(3) . ? 
C21 C22 1.33(3) . ? 
C22 C23 1.37(3) . ? 
C23 C24 1.43(2) . ? 
C25 C30 1.38(2) . ? 
C25 C26 1.39(2) . ? 
C26 C27 1.35(2) . ? 
C27 C28 1.34(3) . ? 
C28 C29 1.40(3) . ? 
C29 C30 1.35(3) . ? 
C31 C32 1.38(2) . ? 
C31 C36 1.39(2) . ? 
C32 C33 1.41(2) . ? 
C33 C34 1.40(2) . ? 
C34 C35 1.34(2) . ? 
C35 C36 1.38(2) . ? 
C37 C42 1.39(2) . ? 
C37 C38 1.40(2) . ? 
C38 C39 1.39(2) . ? 
C39 C40 1.36(3) . ? 
C40 C41 1.36(3) . ? 
C41 C42 1.39(2) . ? 
C43 C48 1.38(2) . ? 
C43 C44 1.41(2) . ? 
C44 C45 1.36(2) . ? 
C45 C46 1.37(3) . ? 
C46 C47 1.40(3) . ? 
C47 C48 1.41(2) . ? 
C49 C50 1.39(2) . ? 
C49 C54 1.39(2) . ? 
C50 C51 1.40(2) . ? 
C51 C52 1.38(2) . ? 
C52 C53 1.39(2) . ? 
C53 C54 1.36(2) . ? 
C55 C56 1.52(2) . ? 
C57 C58 1.54(2) . ? 
C59 C60 1.53(2) . ? 
Cl3 C61 1.75(3) . ? 
Cl4 C61 1.71(3) . ? 
O1 C62 1.42(3) . ? 
O2 C63 1.35(3) . ? 
O3 C64 1.31(4) . ? 
O3A C64 1.61(5) . ? 
O4 C65 1.14(3) . ? 

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 87.9(2) . . ? 
P1 Pt1 Cl1 170.6(2) . . ? 
P2 Pt1 Cl1 100.4(2) . . ? 
P1 Pt1 Pt2 88.86(12) . . ? 
P2 Pt1 Pt2 176.63(12) . . ? 
Cl1 Pt1 Pt2 82.93(11) . . ? 
P4 Pt2 P3 144.40(15) . . ? 
P4 Pt2 P5 104.91(15) . . ? 
P3 Pt2 P5 102.44(14) . . ? 
P4 Pt2 Pt1 81.05(11) . . ? 
P3 Pt2 Pt1 84.02(10) . . ? 
P5 Pt2 Pt1 154.50(11) . . ? 
C57 P1 C59 106.3(8) . . ? 
C57 P1 C55 106.3(8) . . ? 
C59 P1 C55 105.7(8) . . ? 
C57 P1 Pt1 115.4(6) . . ? 
C59 P1 Pt1 114.5(5) . . ? 
C55 P1 Pt1 108.0(6) . . ? 
C1 P2 C7 101.5(8) . . ? 
C1 P2 C56 104.8(8) . . ? 
C7 P2 C56 105.2(7) . . ? 
C1 P2 Pt1 123.5(5) . . ? 
C7 P2 Pt1 114.2(6) . . ? 
C56 P2 Pt1 106.2(6) . . ? 
C13 P3 C58 103.2(7) . . ? 
C13 P3 C19 100.6(7) . . ? 
C58 P3 C19 99.1(8) . . ? 
C13 P3 Pt2 124.5(5) . . ? 
C58 P3 Pt2 105.9(5) . . ? 
C19 P3 Pt2 119.8(5) . . ? 
C31 P4 C25 102.3(7) . . ? 
C31 P4 C60 102.8(7) . . ? 
C25 P4 C60 97.5(7) . . ? 
C31 P4 Pt2 123.6(5) . . ? 
C25 P4 Pt2 111.8(5) . . ? 
C60 P4 Pt2 115.1(5) . . ? 
C49 P5 C37 101.2(7) . . ? 
C49 P5 C43 101.7(7) . . ? 
C37 P5 C43 106.6(7) . . ? 
C49 P5 Pt2 117.9(5) . . ? 
C37 P5 Pt2 107.9(5) . . ? 
C43 P5 Pt2 119.6(6) . . ? 
C2 C1 C6 117.2(18) . . ? 
C2 C1 P2 119.5(13) . . ? 
C6 C1 P2 123.3(15) . . ? 
C1 C2 C3 121.8(18) . . ? 
C4 C3 C2 119.5(21) . . ? 
C3 C4 C5 120.8(18) . . ? 
C6 C5 C4 119.8(19) . . ? 
C5 C6 C1 120.9(20) . . ? 
C8 C7 C12 117.8(16) . . ? 
C8 C7 P2 122.2(13) . . ? 
C12 C7 P2 120.0(13) . . ? 
C7 C8 C9 118.9(20) . . ? 
C10 C9 C8 123.8(22) . . ? 
C9 C10 C11 120.0(20) . . ? 
C10 C11 C12 117.5(19) . . ? 
C7 C12 C11 122.0(19) . . ? 
C18 C13 C14 115.4(15) . . ? 
C18 C13 P3 121.8(13) . . ? 
C14 C13 P3 122.9(12) . . ? 
C15 C14 C13 123.0(16) . . ? 
C16 C15 C14 119.3(18) . . ? 
C15 C16 C17 120.6(17) . . ? 
C18 C17 C16 118.2(15) . . ? 
C13 C18 C17 123.0(16) . . ? 
C20 C19 C24 117.8(16) . . ? 
C20 C19 P3 125.4(14) . . ? 
C24 C19 P3 116.7(14) . . ? 
C19 C20 C21 121.5(19) . . ? 
C22 C21 C20 120.0(21) . . ? 
C21 C22 C23 123.0(19) . . ? 
C22 C23 C24 117.1(18) . . ? 
C19 C24 C23 120.3(18) . . ? 
C30 C25 C26 118.3(16) . . ? 
C30 C25 P4 117.6(12) . . ? 
C26 C25 P4 124.0(14) . . ? 
C27 C26 C25 121.0(17) . . ? 
C28 C27 C26 120.8(18) . . ? 
C27 C28 C29 119.4(19) . . ? 
C30 C29 C28 120.5(20) . . ? 
C29 C30 C25 120.0(17) . . ? 
C32 C31 C36 119.0(15) . . ? 
C32 C31 P4 117.0(12) . . ? 
C36 C31 P4 123.7(13) . . ? 
C31 C32 C33 119.1(15) . . ? 
C34 C33 C32 119.7(16) . . ? 
C35 C34 C33 120.8(16) . . ? 
C34 C35 C36 119.6(16) . . ? 
C35 C36 C31 121.6(16) . . ? 
C42 C37 C38 118.0(15) . . ? 
C42 C37 P5 123.9(13) . . ? 
C38 C37 P5 118.1(12) . . ? 
C39 C38 C37 120.9(15) . . ? 
C40 C39 C38 119.4(17) . . ? 
C39 C40 C41 120.8(17) . . ? 
C40 C41 C42 120.7(17) . . ? 
C41 C42 C37 120.1(17) . . ? 
C48 C43 C44 119.2(16) . . ? 
C48 C43 P5 118.9(12) . . ? 
C44 C43 P5 121.9(14) . . ? 
C45 C44 C43 121.9(17) . . ? 
C44 C45 C46 119.1(16) . . ? 
C45 C46 C47 121.1(17) . . ? 
C46 C47 C48 119.4(17) . . ? 
C43 C48 C47 119.2(15) . . ? 
C50 C49 C54 116.7(15) . . ? 
C50 C49 P5 120.1(13) . . ? 
C54 C49 P5 123.2(12) . . ? 
C49 C50 C51 121.1(16) . . ? 
C52 C51 C50 119.3(16) . . ? 
C51 C52 C53 121.1(15) . . ? 
C54 C53 C52 117.7(17) . . ? 
C53 C54 C49 124.1(16) . . ? 
C56 C55 P1 110.3(11) . . ? 
C55 C56 P2 110.1(11) . . ? 
C58 C57 P1 116.3(11) . . ? 
C57 C58 P3 115.6(12) . . ? 
C60 C59 P1 110.8(11) . . ? 
C59 C60 P4 113.5(10) . . ? 
Cl4 C61 Cl3 111.9(20) . . ? 
O3 C64 O3A 79.7(26) . . ? 

_refine_diff_density_max    0.983 
_refine_diff_density_min   -1.429 
_refine_diff_density_rms    0.160