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

data_global

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Bradford, A.'
'Jennings, Michael C.'
'Puddephatt, R.'
'Stadnichenko, Raisa'	
'Sterenberg, Brian T.'

_publ_contact_author_name     	'Prof R Puddephatt'  
_publ_contact_author_address 
;
Prof R Puddephatt
Department of Chemistry
The University of Western Ontario
LONDON
ONTARIO
N6A 5B7
CANADA
;

_publ_contact_author_email       'PUDD@UWO.CA'

_publ_section_title
;
Platinum-Thallium Cluster Complexes
; 
data_complex2a

_database_code_CSD	169369


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C81 H74 Cl2 F12 O3 P8 Pt3 Tl' 
_chemical_formula_weight          2431.70 

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' 
'O'  'O'   0.0106   0.0060 
'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' 
'P'  'P'   0.1023   0.0942 
'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' 
'Tl'  'Tl'  -2.8358   9.6688 
'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' 

_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 

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

_cell_length_a                    13.459(3) 
_cell_length_b                    23.090(5) 
_cell_length_c                    14.721(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  103.99(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      4439.3(15) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.819 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2322 
_exptl_absorpt_coefficient_mu     6.795 
_exptl_absorpt_correction_type    Integration 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 

_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_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             13736 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0924 
_diffrn_reflns_limit_h_min        -16 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        28 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          2.55 
_diffrn_reflns_theta_max          26.39 
_reflns_number_total              13736 
_reflns_number_gt                 8963 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness 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 threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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  
_refine_ls_weighting_details 
'calc w=1/[\s^2^(Fo^2^)+(0.0905P)^2^+40.7219P] 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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0(10) 
_refine_ls_number_reflns          13736 
_refine_ls_number_parameters      428 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.1270 
_refine_ls_R_factor_gt            0.0795 
_refine_ls_wR_factor_ref          0.2161 
_refine_ls_wR_factor_gt           0.1899 
_refine_ls_goodness_of_fit_ref    1.104 
_refine_ls_restrained_S_all       1.104 
_refine_ls_shift/su_max           8.385 
_refine_ls_shift/su_mean          0.377 

loop_ 
_atom_site_label 
_atom_site_type_symbol 
_atom_site_fract_x 
_atom_site_fract_y 
_atom_site_fract_z 
_atom_site_U_iso_or_equiv 
_atom_site_adp_type 
_atom_site_occupancy 
_atom_site_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
Pt1 Pt 1.49764(13) -0.08137(3) 1.28322(13) 0.0486(5) Uani 1 1 d . . . 
Pt2 Pt 1.49897(13) 0.03303(4) 1.28255(13) 0.0505(6) Uani 1 1 d . . . 
Pt3 Pt 1.65729(4) -0.02427(13) 1.25182(5) 0.0460(2) Uani 1 1 d . . . 
Tl Tl 1.46602(6) -0.02448(19) 1.10331(6) 0.0788(3) Uani 1 1 d . . . 
P1 P 1.3363(8) -0.0892(6) 1.3047(8) 0.049(3) Uani 1 1 d . . . 
P2 P 1.3358(8) 0.0447(7) 1.3046(8) 0.061(4) Uani 1 1 d . . . 
P3 P 1.5657(13) 0.1238(8) 1.2738(14) 0.105(5) Uani 1 1 d . . . 
P4 P 1.7429(9) 0.0564(7) 1.2224(10) 0.066(4) Uani 1 1 d . . . 
P5 P 1.7425(8) -0.1050(5) 1.2196(9) 0.045(3) Uani 1 1 d . . . 
P6 P 1.5589(10) -0.1700(7) 1.2534(13) 0.098(6) Uani 1 1 d . . . 
O1 O 1.6322(7) -0.0261(15) 1.4481(7) 0.033(3) Uani 1 1 d . . . 
C1 C 1.5968(15) -0.024(3) 1.3826(16) 0.059(5) Uiso 1 1 d . . . 
C2 C 1.2625(16) -0.024(2) 1.2668(14) 0.076(9) Uani 1 1 d . . . 
H2A H 1.2021 -0.0240 1.2918 0.091 Uiso 1 1 calc R . . 
H2B H 1.2398 -0.0239 1.1991 0.091 Uiso 1 1 calc R . . 
C3 C 1.652(3) 0.111(3) 1.198(6) 0.25(4) Uani 1 1 d . . . 
H3A H 1.6102 0.1033 1.1359 0.300 Uiso 1 1 calc R . . 
H3B H 1.6887 0.1465 1.1950 0.300 Uiso 1 1 calc R . . 
C4 C 1.650(2) -0.1675(14) 1.1809(19) 0.045(7) Uiso 1 1 d . . . 
H4A H 1.6134 -0.1623 1.1160 0.053 Uiso 1 1 calc R . . 
H4B H 1.6870 -0.2037 1.1862 0.053 Uiso 1 1 calc R . . 
C11 C 1.3351(15) -0.1060(10) 1.4296(11) 0.072(11) Uiso 1 1 d G . . 
C12 C 1.2495(13) -0.0930(9) 1.4629(13) 0.054(7) Uiso 1 1 d G . . 
H12 H 1.1918 -0.0768 1.4231 0.064 Uiso 1 1 calc R . . 
C13 C 1.2499(13) -0.1042(8) 1.5558(13) 0.051(6) Uiso 1 1 d G . . 
H13 H 1.1926 -0.0955 1.5781 0.062 Uiso 1 1 calc R . . 
C14 C 1.3361(16) -0.1284(10) 1.6153(11) 0.096(10) Uiso 1 1 d G . . 
H14 H 1.3364 -0.1359 1.6775 0.116 Uiso 1 1 calc R . . 
C15 C 1.4217(13) -0.1413(11) 1.5820(14) 0.105(12) Uiso 1 1 d G . . 
H15 H 1.4793 -0.1575 1.6219 0.126 Uiso 1 1 calc R . . 
C16 C 1.4212(13) -0.1301(10) 1.4891(15) 0.078(9) Uiso 1 1 d G . . 
H16 H 1.4785 -0.1388 1.4668 0.094 Uiso 1 1 calc R . . 
C11A C 1.2364(13) -0.1394(7) 1.2349(13) 0.054(7) Uiso 1 1 d G . . 
C12A C 1.1882(13) -0.1823(8) 1.2748(10) 0.044(6) Uiso 1 1 d G . . 
H12A H 1.1972 -0.1838 1.3394 0.053 Uiso 1 1 calc R . . 
C13A C 1.1265(14) -0.2229(7) 1.2181(14) 0.070(9) Uiso 1 1 d G . . 
H13A H 1.0943 -0.2517 1.2448 0.083 Uiso 1 1 calc R . . 
C14A C 1.1130(15) -0.2207(9) 1.1216(13) 0.066(8) Uiso 1 1 d G . . 
H14A H 1.0717 -0.2479 1.0836 0.079 Uiso 1 1 calc R . . 
C15A C 1.1612(17) -0.1778(11) 1.0817(10) 0.122(15) Uiso 1 1 d G . . 
H15A H 1.1522 -0.1762 1.0171 0.146 Uiso 1 1 calc R . . 
C16A C 1.2229(16) -0.1371(9) 1.1384(14) 0.086(9) Uiso 1 1 d G . . 
H16A H 1.2552 -0.1084 1.1117 0.104 Uiso 1 1 calc R . . 
C21 C 1.3266(17) 0.0491(12) 1.4216(12) 0.064(11) Uiso 1 1 d G . . 
C22 C 1.2298(14) 0.0525(11) 1.4391(13) 0.082(10) Uiso 1 1 d G . . 
H22 H 1.1721 0.0546 1.3896 0.098 Uiso 1 1 calc R . . 
C23 C 1.2194(13) 0.0526(11) 1.5308(16) 0.098(12) Uiso 1 1 d G . . 
H23 H 1.1546 0.0549 1.5425 0.117 Uiso 1 1 calc R . . 
C24 C 1.3057(17) 0.0494(12) 1.6049(12) 0.083(9) Uiso 1 1 d G . . 
H24 H 1.2987 0.0495 1.6662 0.099 Uiso 1 1 calc R . . 
C25 C 1.4024(14) 0.0461(12) 1.5873(13) 0.107(12) Uiso 1 1 d G . . 
H25 H 1.4602 0.0439 1.6369 0.128 Uiso 1 1 calc R . . 
C26 C 1.4129(13) 0.0459(11) 1.4957(16) 0.089(10) Uiso 1 1 d G . . 
H26 H 1.4777 0.0437 1.4839 0.106 Uiso 1 1 calc R . . 
C21A C 1.2667(16) 0.1039(9) 1.2441(15) 0.046(6) Uiso 1 1 d G . . 
C22A C 1.210(2) 0.1399(13) 1.2883(14) 0.21(4) Uiso 1 1 d G . . 
H22A H 1.2133 0.1350 1.3516 0.258 Uiso 1 1 calc R . . 
C23A C 1.149(2) 0.1832(12) 1.238(2) 0.16(2) Uiso 1 1 d G . . 
H23A H 1.1115 0.2074 1.2673 0.192 Uiso 1 1 calc R . . 
C24A C 1.1447(18) 0.1905(10) 1.143(2) 0.087(10) Uiso 1 1 d G . . 
H24A H 1.1039 0.2195 1.1094 0.104 Uiso 1 1 calc R . . 
C25A C 1.2012(19) 0.1545(11) 1.0990(13) 0.109(12) Uiso 1 1 d G . . 
H25A H 1.1982 0.1594 1.0357 0.131 Uiso 1 1 calc R . . 
C26A C 1.2622(17) 0.1112(10) 1.1495(15) 0.094(11) Uiso 1 1 d G . . 
H26A H 1.3000 0.0871 1.1199 0.113 Uiso 1 1 calc R . . 
C31 C 1.592(3) 0.1575(17) 1.425(3) 0.19(2) Uiso 1 1 d G . . 
H31 H 1.5482 0.1278 1.4341 0.229 Uiso 1 1 calc R . . 
C32 C 1.637(4) 0.193(2) 1.500(2) 0.36(5) Uiso 1 1 d G . . 
H32 H 1.6235 0.1875 1.5584 0.430 Uiso 1 1 calc R . . 
C33 C 1.702(3) 0.238(2) 1.487(3) 0.23(4) Uiso 1 1 d G . . 
H33 H 1.7321 0.2616 1.5368 0.282 Uiso 1 1 calc R . . 
C34 C 1.722(2) 0.2462(14) 1.400(3) 0.17(2) Uiso 1 1 d G . . 
H34 H 1.7652 0.2759 1.3909 0.208 Uiso 1 1 calc R . . 
C35 C 1.677(2) 0.2104(14) 1.325(2) 0.126(14) Uiso 1 1 d G . . 
H35 H 1.6898 0.2162 1.2666 0.151 Uiso 1 1 calc R . . 
C36 C 1.612(2) 0.1660(12) 1.338(2) 0.090(10) Uiso 1 1 d G . . 
C31A C 1.4568(17) 0.1671(11) 1.1591(16) 0.093(10) Uiso 1 1 d G . . 
C32A C 1.421(2) 0.2176(12) 1.1913(15) 0.112(12) Uiso 1 1 d G . . 
H32A H 1.4418 0.2275 1.2543 0.134 Uiso 1 1 calc R . . 
C33A C 1.353(2) 0.2532(10) 1.130(2) 0.153(19) Uiso 1 1 d G . . 
H33A H 1.3290 0.2869 1.1511 0.183 Uiso 1 1 calc R . . 
C34A C 1.3216(19) 0.2383(12) 1.035(2) 0.138(16) Uiso 1 1 d G . . 
H34A H 1.2764 0.2621 0.9941 0.165 Uiso 1 1 calc R . . 
C35A C 1.3577(18) 0.1878(13) 1.0031(14) 0.119(13) Uiso 1 1 d G . . 
H35A H 1.3367 0.1779 0.9402 0.143 Uiso 1 1 calc R . . 
C36A C 1.4253(17) 0.1522(10) 1.0650(17) 0.084(9) Uiso 1 1 d G . . 
H36A H 1.4495 0.1184 1.0434 0.100 Uiso 1 1 calc R . . 
C41 C 1.8287(16) 0.0870(10) 1.3162(13) 0.067(9) Uiso 1 1 d G . . 
C42 C 1.8339(16) 0.0686(9) 1.4071(16) 0.092(10) Uiso 1 1 d G . . 
H42 H 1.7893 0.0402 1.4182 0.110 Uiso 1 1 calc R . . 
C43 C 1.9060(17) 0.0926(11) 1.4815(12) 0.102(11) Uiso 1 1 d G . . 
H43 H 1.9095 0.0802 1.5424 0.123 Uiso 1 1 calc R . . 
C44 C 1.9727(16) 0.1350(11) 1.4650(15) 0.097(11) Uiso 1 1 d G . . 
H44 H 2.0209 0.1510 1.5148 0.117 Uiso 1 1 calc R . . 
C45 C 1.9675(16) 0.1534(9) 1.3741(18) 0.108(14) Uiso 1 1 d G . . 
H45 H 2.0122 0.1818 1.3630 0.130 Uiso 1 1 calc R . . 
C46 C 1.8955(18) 0.1295(10) 1.2997(13) 0.090(11) Uiso 1 1 d G . . 
H46 H 1.8920 0.1418 1.2389 0.108 Uiso 1 1 calc R . . 
C41A C 1.8077(17) 0.0465(12) 1.1255(18) 0.080(11) Uiso 1 1 d G . . 
C42A C 1.7734(18) 0.0712(13) 1.037(2) 0.126(15) Uiso 1 1 d G . . 
H42A H 1.7088 0.0881 1.0204 0.151 Uiso 1 1 calc R . . 
C43A C 1.836(3) 0.0706(14) 0.9744(16) 0.142(19) Uiso 1 1 d G . . 
H43A H 1.8126 0.0871 0.9155 0.171 Uiso 1 1 calc R . . 
C44A C 1.932(2) 0.0453(14) 0.9997(19) 0.154(18) Uiso 1 1 d G . . 
H44A H 1.9736 0.0449 0.9576 0.185 Uiso 1 1 calc R . . 
C45A C 1.9663(16) 0.0206(12) 1.088(2) 0.119(13) Uiso 1 1 d G . . 
H45A H 2.0309 0.0037 1.1047 0.143 Uiso 1 1 calc R . . 
C46A C 1.9042(18) 0.0212(11) 1.1507(15) 0.098(11) Uiso 1 1 d G . . 
H46A H 1.9272 0.0047 1.2097 0.118 Uiso 1 1 calc R . . 
C51 C 1.7983(14) -0.1106(10) 1.1218(11) 0.057(8) Uiso 1 1 d G . . 
C52 C 1.7388(12) -0.0849(9) 1.0415(14) 0.077(8) Uiso 1 1 d G . . 
H52 H 1.6778 -0.0666 1.0434 0.092 Uiso 1 1 calc R . . 
C53 C 1.7705(16) -0.0866(10) 0.9584(12) 0.102(11) Uiso 1 1 d G . . 
H53 H 1.7307 -0.0694 0.9047 0.123 Uiso 1 1 calc R . . 
C54 C 1.8616(17) -0.1141(10) 0.9556(12) 0.096(11) Uiso 1 1 d G . . 
H54 H 1.8828 -0.1152 0.9000 0.115 Uiso 1 1 calc R . . 
C55 C 1.9211(13) -0.1398(9) 1.0359(15) 0.085(10) Uiso 1 1 d G . . 
H55 H 1.9820 -0.1581 1.0340 0.102 Uiso 1 1 calc R . . 
C56 C 1.8894(13) -0.1381(9) 1.1190(12) 0.072(8) Uiso 1 1 d G . . 
H56 H 1.9292 -0.1553 1.1727 0.087 Uiso 1 1 calc R . . 
C51A C 1.8529(12) -0.1283(8) 1.3185(10) 0.052(7) Uiso 1 1 d G . . 
C52A C 1.8944(14) -0.0850(6) 1.3820(13) 0.071(8) Uiso 1 1 d G . . 
H52A H 1.8715 -0.0470 1.3712 0.085 Uiso 1 1 calc R . . 
C53A C 1.9702(14) -0.0984(8) 1.4616(12) 0.077(9) Uiso 1 1 d G . . 
H53A H 1.9980 -0.0695 1.5041 0.093 Uiso 1 1 calc R . . 
C54A C 2.0044(12) -0.1552(9) 1.4777(11) 0.101(11) Uiso 1 1 d G . . 
H54A H 2.0552 -0.1642 1.5310 0.121 Uiso 1 1 calc R . . 
C55A C 1.9629(12) -0.1985(7) 1.4143(13) 0.050(6) Uiso 1 1 d G . . 
H55A H 1.9858 -0.2364 1.4250 0.060 Uiso 1 1 calc R . . 
C56A C 1.8871(12) -0.1850(7) 1.3347(11) 0.051(6) Uiso 1 1 d G . . 
H56A H 1.8593 -0.2140 1.2922 0.061 Uiso 1 1 calc R . . 
C61 C 1.6558(12) -0.2000(8) 1.3896(11) 0.060(7) Uiso 1 1 d G . . 
C62 C 1.6958(14) -0.1626(7) 1.4634(14) 0.062(7) Uiso 1 1 d G . . 
H62 H 1.6783 -0.1235 1.4585 0.074 Uiso 1 1 calc R . . 
C63 C 1.7618(16) -0.1835(9) 1.5443(12) 0.128(15) Uiso 1 1 d G . . 
H63 H 1.7885 -0.1584 1.5937 0.153 Uiso 1 1 calc R . . 
C64 C 1.7879(15) -0.2418(10) 1.5516(12) 0.098(11) Uiso 1 1 d G . . 
H64 H 1.8321 -0.2558 1.6058 0.117 Uiso 1 1 calc R . . 
C65 C 1.7480(15) -0.2793(7) 1.4779(15) 0.076(8) Uiso 1 1 d G . . 
H65 H 1.7655 -0.3183 1.4827 0.091 Uiso 1 1 calc R . . 
C66 C 1.6820(14) -0.2584(8) 1.3969(12) 0.072(8) Uiso 1 1 d G . . 
H66 H 1.6552 -0.2834 1.3476 0.087 Uiso 1 1 calc R . . 
C61A C 1.4898(13) -0.2352(8) 1.2352(14) 0.060(7) Uiso 1 1 d G . . 
C62A C 1.4302(14) -0.2566(9) 1.2927(11) 0.061(7) Uiso 1 1 d G . . 
H62A H 1.4348 -0.2401 1.3513 0.073 Uiso 1 1 calc R . . 
C63A C 1.3639(14) -0.3026(9) 1.2628(16) 0.095(10) Uiso 1 1 d G . . 
H63A H 1.3240 -0.3170 1.3013 0.114 Uiso 1 1 calc R . . 
C64A C 1.3570(18) -0.3273(9) 1.1754(18) 0.109(12) Uiso 1 1 d G . . 
H64A H 1.3126 -0.3581 1.1553 0.131 Uiso 1 1 calc R . . 
C65A C 1.417(2) -0.3058(12) 1.1178(14) 0.17(2) Uiso 1 1 d G . . 
H65A H 1.4120 -0.3223 1.0593 0.210 Uiso 1 1 calc R . . 
C66A C 1.4829(17) -0.2598(11) 1.1477(14) 0.103(11) Uiso 1 1 d G . . 
H66A H 1.5228 -0.2455 1.1093 0.124 Uiso 1 1 calc R . . 
P8 P 1.0947(16) -0.1883(11) 0.7798(15) 0.118(7) Uani 1 1 d . . . 
P7 P 0.913(2) -0.3624(10) 0.2275(14) 0.154(10) Uani 1 1 d . . . 
F1 F 0.984(3) -0.330(2) 0.298(2) 0.23(2) Uani 1 1 d . . . 
F2 F 0.839(6) -0.374(3) 0.272(8) 0.42(7) Uani 1 1 d . . . 
F3 F 0.891(3) -0.3021(15) 0.170(2) 0.168(16) Uani 1 1 d . . . 
F4 F 0.962(5) -0.332(5) 0.151(4) 0.56(4) Uani 1 1 d . . . 
F5 F 0.888(5) -0.393(2) 0.128(3) 0.32(3) Uani 1 1 d . . . 
F6 F 0.949(5) -0.412(2) 0.274(4) 0.36(5) Uani 1 1 d . . . 
F7 F 1.178(6) -0.208(2) 0.722(4) 0.39(6) Uani 1 1 d . . . 
F8 F 1.092(3) -0.1269(17) 0.714(2) 0.180(16) Uani 1 1 d . . . 
F9 F 1.154(4) -0.251(3) 0.806(4) 0.27(3) Uani 1 1 d . . . 
F10 F 1.175(2) -0.1617(16) 0.851(2) 0.141(13) Uani 1 1 d . . . 
F11 F 0.999(5) -0.211(4) 0.719(8) 0.78(7) Uani 1 1 d . . . 
F12 F 1.025(5) -0.159(4) 0.826(6) 0.57(9) Uani 1 1 d . . . 
O2 O 1.4626(18) -0.1220(12) 1.0169(18) 0.103(7) Uiso 1 1 d . . . 
O3 O 1.514(3) 0.0128(15) 0.978(2) 0.129(12) Uiso 1 1 d . . . 
O100 O 1.2843(18) -0.028(3) 1.0069(17) 0.149(10) Uiso 1 1 d . . . 
C7 C 1.5161(18) -0.019(3) 0.9027(18) 0.107(8) Uiso 1 1 d . . . 
C5 C 1.463(2) -0.1191(16) 0.930(2) 0.108(9) Uiso 1 1 d . . . 
C6 C 1.491(3) -0.0770(17) 0.870(3) 0.117(10) Uiso 1 1 d . . . 
C8 C 1.432(3) -0.1738(17) 0.893(3) 0.136(10) Uiso 1 1 d . . . 
C9 C 1.5454(17) 0.0102(11) 0.8135(16) 0.098(6) Uiso 1 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 0.0432(10) 0.0501(14) 0.0561(14) -0.0061(11) 0.0189(10) -0.0069(10) 
Pt2 0.0456(11) 0.0544(15) 0.0517(13) 0.0103(11) 0.0119(10) 0.0054(10) 
Pt3 0.0385(3) 0.0535(5) 0.0455(4) -0.0063(14) 0.0090(3) -0.0023(13) 
Tl 0.0629(5) 0.1267(9) 0.0442(5) -0.002(2) 0.0076(4) 0.004(2) 
P1 0.050(6) 0.063(9) 0.047(7) -0.010(6) 0.036(5) -0.012(6) 
P2 0.047(6) 0.075(10) 0.051(8) 0.005(7) -0.011(5) 0.009(6) 
P3 0.129(11) 0.054(9) 0.162(12) 0.020(8) 0.095(9) 0.012(7) 
P4 0.044(7) 0.088(12) 0.062(9) 0.026(8) 0.007(6) 0.003(7) 
P5 0.041(7) 0.046(8) 0.053(8) 0.008(6) 0.018(6) 0.004(5) 
P6 0.070(8) 0.057(9) 0.196(16) -0.059(9) 0.089(9) -0.027(6) 
O1 0.032(5) 0.043(8) 0.019(5) 0.003(17) -0.002(4) -0.001(16) 
C2 0.063(13) 0.12(2) 0.045(12) 0.01(3) 0.012(11) -0.07(2) 
C3 0.10(3) 0.15(5) 0.56(12) 0.16(6) 0.22(5) 0.10(3) 
P8 0.133(13) 0.134(19) 0.093(13) 0.020(13) 0.039(11) -0.020(12) 
P7 0.24(2) 0.138(18) 0.072(11) -0.032(12) 0.015(13) -0.118(17) 
F1 0.27(5) 0.28(5) 0.080(19) -0.06(3) -0.06(2) -0.09(4) 
F2 0.41(9) 0.25(7) 0.77(19) -0.07(9) 0.47(12) -0.09(6) 
F3 0.29(4) 0.11(2) 0.13(2) 0.04(2) 0.10(3) 0.03(3) 
F4 0.37(4) 1.09(13) 0.33(5) -0.47(5) 0.31(4) -0.502 
F5 0.67(8) 0.20(4) 0.12(2) -0.10(3) 0.13(4) -0.22(5) 
F6 0.38(7) 0.18(4) 0.35(6) 0.21(5) -0.25(5) -0.15(4) 
F7 0.75(14) 0.15(4) 0.42(8) 0.14(5) 0.46(10) 0.20(6) 
F8 0.27(4) 0.14(3) 0.15(3) -0.05(2) 0.10(3) -0.10(3) 
F9 0.25(5) 0.25(5) 0.29(6) -0.17(5) 0.05(4) -0.02(4) 
F10 0.127(19) 0.15(3) 0.12(3) -0.01(2) -0.027(18) -0.047(18) 
F11 0.41(4) 0.81(8) 0.82(17) 0.70(11) -0.42(6) -0.512 
F12 0.26(6) 0.82(18) 0.60(13) -0.66(14) 0.06(7) -0.14(8) 

_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 C1 2.17(4) . ? 
Pt1 P1 2.276(9) . ? 
Pt1 P6 2.288(14) . ? 
Pt1 Pt2 2.6417(12) . ? 
Pt1 Pt3 2.655(2) . ? 
Pt1 Tl 2.894(3) . ? 
Pt2 C1 2.17(4) . ? 
Pt2 P3 2.296(18) . ? 
Pt2 P2 2.312(12) . ? 
Pt2 Pt3 2.639(2) . ? 
Pt2 Tl 2.891(3) . ? 
Pt3 C1 2.26(2) . ? 
Pt3 P4 2.286(14) . ? 
Pt3 P5 2.297(12) . ? 
Pt3 Tl 2.9470(15) . ? 
Tl O3 2.26(3) . ? 
Tl O100 2.51(2) . ? 
Tl O2 2.58(3) . ? 
P1 C2 1.82(5) . ? 
P1 C11A 1.881(19) . ? 
P1 C11 1.882(18) . ? 
P2 C21 1.76(2) . ? 
P2 C21A 1.77(2) . ? 
P2 C2 1.87(4) . ? 
P3 C36 1.39(3) . ? 
P3 C3 1.82(5) . ? 
P3 C31A 2.19(3) . ? 
P3 C31 2.31(4) . ? 
P4 C3 1.72(4) . ? 
P4 C41 1.72(2) . ? 
P4 C41A 1.86(2) . ? 
P5 C51 1.782(18) . ? 
P5 C51A 1.890(17) . ? 
P5 C4 1.90(3) . ? 
P6 C61A 1.76(2) . ? 
P6 C4 1.81(3) . ? 
P6 C61 2.22(2) . ? 
O1 C1 0.97(2) . ? 
C11 C12 1.3900 . ? 
C11 C16 1.3900 . ? 
C12 C13 1.3900 . ? 
C13 C14 1.3900 . ? 
C14 C15 1.3900 . ? 
C15 C16 1.3900 . ? 
C11A C12A 1.3900 . ? 
C11A C16A 1.3900 . ? 
C12A C13A 1.3900 . ? 
C13A C14A 1.3900 . ? 
C14A C15A 1.3900 . ? 
C15A C16A 1.3900 . ? 
C21 C22 1.3900 . ? 
C21 C26 1.3900 . ? 
C22 C23 1.3900 . ? 
C23 C24 1.3900 . ? 
C24 C25 1.3900 . ? 
C25 C26 1.3900 . ? 
C21A C22A 1.3900 . ? 
C21A C26A 1.3900 . ? 
C22A C23A 1.3900 . ? 
C23A C24A 1.3900 . ? 
C24A C25A 1.3900 . ? 
C25A C26A 1.3900 . ? 
C31 C32 1.3900 . ? 
C31 C36 1.3900 . ? 
C32 C33 1.3900 . ? 
C33 C34 1.3900 . ? 
C34 C35 1.3900 . ? 
C35 C36 1.3900 . ? 
C31A C32A 1.3900 . ? 
C31A C36A 1.3900 . ? 
C32A C33A 1.3900 . ? 
C33A C34A 1.3900 . ? 
C34A C35A 1.3900 . ? 
C35A C36A 1.3900 . ? 
C41 C42 1.3900 . ? 
C41 C46 1.3900 . ? 
C42 C43 1.3900 . ? 
C43 C44 1.3900 . ? 
C44 C45 1.3900 . ? 
C45 C46 1.3900 . ? 
C41A C42A 1.3900 . ? 
C41A C46A 1.3900 . ? 
C42A C43A 1.3900 . ? 
C43A C44A 1.3900 . ? 
C44A C45A 1.3900 . ? 
C45A C46A 1.3900 . ? 
C51 C52 1.3900 . ? 
C51 C56 1.3900 . ? 
C52 C53 1.3900 . ? 
C53 C54 1.3900 . ? 
C54 C55 1.3900 . ? 
C55 C56 1.3900 . ? 
C51A C52A 1.3900 . ? 
C51A C56A 1.3900 . ? 
C52A C53A 1.3900 . ? 
C53A C54A 1.3900 . ? 
C54A C55A 1.3900 . ? 
C55A C56A 1.3900 . ? 
C61 C62 1.3900 . ? 
C61 C66 1.3900 . ? 
C62 C63 1.3900 . ? 
C63 C64 1.3900 . ? 
C64 C65 1.3900 . ? 
C65 C66 1.3900 . ? 
C61A C62A 1.3900 . ? 
C61A C66A 1.3900 . ? 
C62A C63A 1.3900 . ? 
C63A C64A 1.3900 . ? 
C64A C65A 1.3900 . ? 
C65A C66A 1.3900 . ? 
P8 F10 1.44(3) . ? 
P8 F11 1.48(5) . ? 
P8 F12 1.45(6) . ? 
P8 F7 1.63(5) . ? 
P8 F9 1.66(6) . ? 
P8 F8 1.71(4) . ? 
P7 F6 1.36(4) . ? 
P7 F2 1.34(5) . ? 
P7 F1 1.43(3) . ? 
P7 F4 1.60(6) . ? 
P7 F5 1.59(4) . ? 
P7 F3 1.62(4) . ? 
F2 F6 1.71(8) . ? 
F3 F4 1.26(8) . ? 
F4 F5 1.71(7) . ? 
F7 F9 1.68(7) . ? 
O2 C5 1.29(4) . ? 
O3 C7 1.34(5) . ? 
C7 C6 1.43(7) . ? 
C7 C9 1.61(4) . ? 
C5 C6 1.42(5) . ? 
C5 C8 1.40(5) . ? 

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 
C1 Pt1 P1 113.9(7) . . ? 
C1 Pt1 P6 118.8(13) . . ? 
P1 Pt1 P6 110.9(5) . . ? 
C1 Pt1 Pt2 52.5(14) . . ? 
P1 Pt1 Pt2 95.0(4) . . ? 
P6 Pt1 Pt2 152.9(3) . . ? 
C1 Pt1 Pt3 54.9(6) . . ? 
P1 Pt1 Pt3 154.6(4) . . ? 
P6 Pt1 Pt3 93.8(3) . . ? 
Pt2 Pt1 Pt3 59.76(8) . . ? 
C1 Pt1 Tl 105.7(12) . . ? 
P1 Pt1 Tl 103.2(3) . . ? 
P6 Pt1 Tl 102.2(5) . . ? 
Pt2 Pt1 Tl 62.76(10) . . ? 
Pt3 Pt1 Tl 63.99(6) . . ? 
C1 Pt2 P3 114.4(14) . . ? 
C1 Pt2 P2 114.6(7) . . ? 
P3 Pt2 P2 107.4(5) . . ? 
C1 Pt2 Pt3 55.2(6) . . ? 
P3 Pt2 Pt3 96.0(4) . . ? 
P2 Pt2 Pt3 156.4(4) . . ? 
C1 Pt2 Pt1 52.6(14) . . ? 
P3 Pt2 Pt1 156.4(4) . . ? 
P2 Pt2 Pt1 96.2(4) . . ? 
Pt3 Pt2 Pt1 60.37(8) . . ? 
C1 Pt2 Tl 105.9(12) . . ? 
P3 Pt2 Tl 110.1(5) . . ? 
P2 Pt2 Tl 103.9(3) . . ? 
Pt3 Pt2 Tl 64.22(6) . . ? 
Pt1 Pt2 Tl 62.89(10) . . ? 
C1 Pt3 P4 117.5(16) . . ? 
C1 Pt3 P5 118.4(16) . . ? 
P4 Pt3 P5 108.8(2) . . ? 
C1 Pt3 Pt2 51.9(11) . . ? 
P4 Pt3 Pt2 95.1(3) . . ? 
P5 Pt3 Pt2 155.0(3) . . ? 
C1 Pt3 Pt1 51.7(11) . . ? 
P4 Pt3 Pt1 154.7(3) . . ? 
P5 Pt3 Pt1 95.7(3) . . ? 
Pt2 Pt3 Pt1 59.87(3) . . ? 
C1 Pt3 Tl 101.6(5) . . ? 
P4 Pt3 Tl 104.5(3) . . ? 
P5 Pt3 Tl 103.6(3) . . ? 
Pt2 Pt3 Tl 62.04(6) . . ? 
Pt1 Pt3 Tl 61.95(7) . . ? 
O3 Tl O100 88.9(12) . . ? 
O3 Tl O2 84.6(11) . . ? 
O100 Tl O2 78.2(14) . . ? 
O3 Tl Pt2 123.8(9) . . ? 
O100 Tl Pt2 116.3(8) . . ? 
O2 Tl Pt2 146.2(6) . . ? 
O3 Tl Pt1 155.5(9) . . ? 
O100 Tl Pt1 114.2(9) . . ? 
O2 Tl Pt1 92.1(6) . . ? 
Pt2 Tl Pt1 54.34(3) . . ? 
O3 Tl Pt3 103.5(9) . . ? 
O100 Tl Pt3 167.1(6) . . ? 
O2 Tl Pt3 106.0(6) . . ? 
Pt2 Tl Pt3 53.73(5) . . ? 
Pt1 Tl Pt3 54.06(5) . . ? 
C2 P1 C11A 94.6(12) . . ? 
C2 P1 C11 109.7(11) . . ? 
C11A P1 C11 103.5(11) . . ? 
C2 P1 Pt1 111.1(8) . . ? 
C11A P1 Pt1 123.6(8) . . ? 
C11 P1 Pt1 112.7(8) . . ? 
C21 P2 C21A 107.2(14) . . ? 
C21 P2 C2 100.6(13) . . ? 
C21A P2 C2 109.1(15) . . ? 
C21 P2 Pt2 116.0(9) . . ? 
C21A P2 Pt2 114.9(10) . . ? 
C2 P2 Pt2 108.1(13) . . ? 
C36 P3 C3 107(3) . . ? 
C36 P3 C31A 107.9(17) . . ? 
C3 P3 C31A 91(2) . . ? 
C36 P3 C31 33.9(14) . . ? 
C3 P3 C31 133(3) . . ? 
C31A P3 C31 120.6(14) . . ? 
C36 P3 Pt2 135.7(17) . . ? 
C3 P3 Pt2 101(2) . . ? 
C31A P3 Pt2 105.2(11) . . ? 
C31 P3 Pt2 102.9(11) . . ? 
C3 P4 C41 100(3) . . ? 
C3 P4 C41A 112(2) . . ? 
C41 P4 C41A 108.5(12) . . ? 
C3 P4 Pt3 105.5(19) . . ? 
C41 P4 Pt3 117.0(10) . . ? 
C41A P4 Pt3 113.4(11) . . ? 
C51 P5 C51A 101.3(10) . . ? 
C51 P5 C4 94.4(13) . . ? 
C51A P5 C4 110.6(12) . . ? 
C51 P5 Pt3 123.7(9) . . ? 
C51A P5 Pt3 114.2(8) . . ? 
C4 P5 Pt3 110.6(10) . . ? 
C61A P6 C4 110.3(15) . . ? 
C61A P6 C61 92.5(11) . . ? 
C4 P6 C61 102.2(12) . . ? 
C61A P6 Pt1 126.4(9) . . ? 
C4 P6 Pt1 114.3(13) . . ? 
C61 P6 Pt1 105.4(8) . . ? 
O1 C1 Pt1 136(5) . . ? 
O1 C1 Pt2 141(5) . . ? 
Pt1 C1 Pt2 74.9(7) . . ? 
O1 C1 Pt3 130.9(16) . . ? 
Pt1 C1 Pt3 73.5(10) . . ? 
Pt2 C1 Pt3 73.0(10) . . ? 
P1 C2 P2 113.6(11) . . ? 
P4 C3 P3 121(4) . . ? 
P6 C4 P5 109.7(17) . . ? 
C12 C11 C16 120.0 . . ? 
C12 C11 P1 120.3(12) . . ? 
C16 C11 P1 119.7(12) . . ? 
C11 C12 C13 120.0 . . ? 
C14 C13 C12 120.0 . . ? 
C13 C14 C15 120.0 . . ? 
C16 C15 C14 120.0 . . ? 
C15 C16 C11 120.0 . . ? 
C12A C11A C16A 120.0 . . ? 
C12A C11A P1 123.6(11) . . ? 
C16A C11A P1 115.8(11) . . ? 
C13A C12A C11A 120.0 . . ? 
C12A C13A C14A 120.0 . . ? 
C15A C14A C13A 120.0 . . ? 
C16A C15A C14A 120.0 . . ? 
C15A C16A C11A 120.0 . . ? 
C22 C21 C26 120.0 . . ? 
C22 C21 P2 118.4(13) . . ? 
C26 C21 P2 121.5(13) . . ? 
C21 C22 C23 120.0 . . ? 
C22 C23 C24 120.0 . . ? 
C23 C24 C25 120.0 . . ? 
C26 C25 C24 120.0 . . ? 
C25 C26 C21 120.0 . . ? 
C22A C21A C26A 120.0 . . ? 
C22A C21A P2 120.5(14) . . ? 
C26A C21A P2 119.3(15) . . ? 
C23A C22A C21A 120.0 . . ? 
C22A C23A C24A 120.0 . . ? 
C25A C24A C23A 120.0 . . ? 
C24A C25A C26A 120.0 . . ? 
C25A C26A C21A 120.0 . . ? 
C32 C31 C36 120.0 . . ? 
C32 C31 P3 153.8(13) . . ? 
C36 C31 P3 34.0(13) . . ? 
C31 C32 C33 120.0 . . ? 
C32 C33 C34 120.0 . . ? 
C35 C34 C33 120.0 . . ? 
C34 C35 C36 120.0 . . ? 
P3 C36 C35 128(3) . . ? 
P3 C36 C31 112(3) . . ? 
C35 C36 C31 120.0 . . ? 
C32A C31A C36A 120.0 . . ? 
C32A C31A P3 110.0(15) . . ? 
C36A C31A P3 129.9(15) . . ? 
C31A C32A C33A 120.0 . . ? 
C32A C33A C34A 120.0 . . ? 
C35A C34A C33A 120.0 . . ? 
C36A C35A C34A 120.0 . . ? 
C35A C36A C31A 120.0 . . ? 
C42 C41 C46 120.0 . . ? 
C42 C41 P4 120.9(14) . . ? 
C46 C41 P4 119.0(14) . . ? 
C41 C42 C43 120.0 . . ? 
C42 C43 C44 120.0 . . ? 
C45 C44 C43 120.0 . . ? 
C46 C45 C44 120.0 . . ? 
C45 C46 C41 120.0 . . ? 
C42A C41A C46A 120.0 . . ? 
C42A C41A P4 123.7(17) . . ? 
C46A C41A P4 115.4(16) . . ? 
C41A C42A C43A 120.0 . . ? 
C44A C43A C42A 120.0 . . ? 
C43A C44A C45A 120.0 . . ? 
C46A C45A C44A 120.0 . . ? 
C45A C46A C41A 120.0 . . ? 
C52 C51 C56 120.0 . . ? 
C52 C51 P5 112.8(11) . . ? 
C56 C51 P5 127.2(11) . . ? 
C53 C52 C51 120.0 . . ? 
C52 C53 C54 120.0 . . ? 
C53 C54 C55 120.0 . . ? 
C56 C55 C54 120.0 . . ? 
C55 C56 C51 120.0 . . ? 
C52A C51A C56A 120.0 . . ? 
C52A C51A P5 115.2(11) . . ? 
C56A C51A P5 124.5(11) . . ? 
C51A C52A C53A 120.0 . . ? 
C52A C53A C54A 120.0 . . ? 
C55A C54A C53A 120.0 . . ? 
C56A C55A C54A 120.0 . . ? 
C55A C56A C51A 120.0 . . ? 
C62 C61 C66 120.0 . . ? 
C62 C61 P6 122.8(11) . . ? 
C66 C61 P6 117.0(11) . . ? 
C63 C62 C61 120.0 . . ? 
C62 C63 C64 120.0 . . ? 
C65 C64 C63 120.0 . . ? 
C66 C65 C64 120.0 . . ? 
C65 C66 C61 120.0 . . ? 
C62A C61A C66A 120.0 . . ? 
C62A C61A P6 125.0(13) . . ? 
C66A C61A P6 114.0(14) . . ? 
C61A C62A C63A 120.0 . . ? 
C62A C63A C64A 120.0 . . ? 
C65A C64A C63A 120.0 . . ? 
C64A C65A C66A 120.0 . . ? 
C65A C66A C61A 120.0 . . ? 
F10 P8 F11 168(7) . . ? 
F10 P8 F12 86(3) . . ? 
F11 P8 F12 83(6) . . ? 
F10 P8 F7 91(4) . . ? 
F11 P8 F7 101(6) . . ? 
F12 P8 F7 169(6) . . ? 
F10 P8 F9 88(2) . . ? 
F11 P8 F9 97(5) . . ? 
F12 P8 F9 129(6) . . ? 
F7 P8 F9 61(3) . . ? 
F10 P8 F8 88(2) . . ? 
F11 P8 F8 94(3) . . ? 
F12 P8 F8 87(5) . . ? 
F7 P8 F8 82(2) . . ? 
F9 P8 F8 143(3) . . ? 
F6 P7 F2 78(4) . . ? 
F6 P7 F1 89(3) . . ? 
F2 P7 F1 101(5) . . ? 
F6 P7 F4 125(6) . . ? 
F2 P7 F4 156(7) . . ? 
F1 P7 F4 89(3) . . ? 
F6 P7 F5 93(4) . . ? 
F2 P7 F5 110(4) . . ? 
F1 P7 F5 149(3) . . ? 
F4 P7 F5 65(2) . . ? 
F6 P7 F3 170(4) . . ? 
F2 P7 F3 112(5) . . ? 
F1 P7 F3 87(3) . . ? 
F4 P7 F3 46(4) . . ? 
F5 P7 F3 86(2) . . ? 
P7 F2 F6 51(2) . . ? 
F4 F3 P7 66(4) . . ? 
F3 F4 P7 68(2) . . ? 
F3 F4 F5 94(3) . . ? 
P7 F4 F5 57(3) . . ? 
P7 F5 F4 57.9(19) . . ? 
P7 F6 F2 50(3) . . ? 
P8 F7 F9 60(2) . . ? 
P8 F9 F7 58(3) . . ? 
C5 O2 Tl 116(2) . . ? 
C7 O3 Tl 122(3) . . ? 
O3 C7 C6 137(4) . . ? 
O3 C7 C9 120(4) . . ? 
C6 C7 C9 102(3) . . ? 
O2 C5 C6 136(4) . . ? 
O2 C5 C8 106(3) . . ? 
C6 C5 C8 118(3) . . ? 
C5 C6 C7 121(3) . . ? 

_diffrn_measured_fraction_theta_max    0.961 
_diffrn_reflns_theta_full              26.39 
_diffrn_measured_fraction_theta_full   0.961 
_refine_diff_density_max    6.620 
_refine_diff_density_min   -1.033 
_refine_diff_density_rms    0.240 

#===END

data_complex3

_database_code_CSD	169370


_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
'C88.25 H83.50 F9 O5.75 P7 Pt3 Tl' 
_chemical_formula_weight          2413.48 

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' 
'O'  'O'   0.0106   0.0060 
'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' 
'P'  'P'   0.1023   0.0942 
'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' 
'Tl'  'Tl'  -2.8358   9.6688 
'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                    14.6918(17) 
_cell_length_b                    29.713(3) 
_cell_length_c                    21.744(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  99.054(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      9373.6(18) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 

_exptl_crystal_description        block
_exptl_crystal_colour             'dark orange' 
_exptl_crystal_size_max           0.30 
_exptl_crystal_size_mid           0.23 
_exptl_crystal_size_min           0.09 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.710 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              4640 
_exptl_absorpt_coefficient_mu     6.362 
_exptl_absorpt_correction_type    integration 
_exptl_absorpt_correction_T_min   0.2512 
_exptl_absorpt_correction_T_max   0.6044 
_exptl_absorpt_process_details    ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       150(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_type   'Nonius Kappa CCD' 
_diffrn_measurement_method        'phi/omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             30507 
_diffrn_reflns_av_R_equivalents   0.0650 
_diffrn_reflns_av_sigmaI/netI     0.0751 
_diffrn_reflns_limit_h_min        -19 
_diffrn_reflns_limit_h_max        19 
_diffrn_reflns_limit_k_min        -38 
_diffrn_reflns_limit_k_max        35 
_diffrn_reflns_limit_l_min        -28 
_diffrn_reflns_limit_l_max        28 
_diffrn_reflns_theta_min          2.57 
_diffrn_reflns_theta_max          27.60 
_reflns_number_total              16840 
_reflns_number_gt                 12302 
_reflns_threshold_expression      >2sigma(I) 

_computing_data_collection        'Nonius COLLECT' 
_computing_cell_refinement        'Nonius DENZO' 
_computing_data_reduction         'Nonius DENZO' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 

_refine_special_details 
; 
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
goodness 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 threshold expression of 
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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 
_refine_ls_weighting_details 
'calc w=1/[\s^2^(Fo^2^)+(0.1416P)^2^+285.1339P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      Patterson 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          16840 
_refine_ls_number_parameters      486 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1239 
_refine_ls_R_factor_gt            0.0944 
_refine_ls_wR_factor_ref          0.2891 
_refine_ls_wR_factor_gt           0.2625 
_refine_ls_goodness_of_fit_ref    1.096 
_refine_ls_restrained_S_all       1.096 
_refine_ls_shift/su_max           1.809 
_refine_ls_shift/su_mean          0.060 

loop_ 
_atom_site_label 
_atom_site_type_symbol 
_atom_site_fract_x 
_atom_site_fract_y 
_atom_site_fract_z 
_atom_site_U_iso_or_equiv 
_atom_site_adp_type 
_atom_site_occupancy 
_atom_site_symmetry_multiplicity 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_assembly 
_atom_site_disorder_group 
Tl Tl 0.29014(5) -0.08465(2) 0.20407(4) 0.0387(2) Uani 1 1 d . . . 
Pt1 Pt 0.26006(5) -0.16188(2) 0.27733(3) 0.03243(18) Uani 1 1 d . . . 
Pt2 Pt 0.11140(5) -0.11955(2) 0.22201(3) 0.03184(18) Uani 1 1 d . . . 
Pt3 Pt 0.20829(5) -0.17036(2) 0.15639(3) 0.03202(18) Uani 1 1 d . . . 
O1 O 0.2968(14) -0.0397(6) 0.1202(8) 0.072(5) Uani 1 1 d . A . 
C2 C 0.359(2) -0.0136(8) 0.1133(10) 0.059(6) Uani 1 1 d . . . 
C3 C 0.4525(18) -0.0155(10) 0.1450(15) 0.073(8) Uani 1 1 d . A . 
H3A H 0.4924 0.0079 0.1359 0.088 Uiso 1 1 calc R . . 
C4 C 0.4907(17) -0.0473(9) 0.1869(14) 0.062(7) Uani 1 1 d . . . 
O5 O 0.4471(11) -0.0814(5) 0.2056(9) 0.063(5) Uani 1 1 d . A . 
C6 C 0.322(3) 0.0291(15) 0.066(2) 0.042(10) Uiso 0.50 1 d P A 1 
H6A H 0.2647 0.0410 0.0777 0.063 Uiso 0.50 1 calc PR A 1 
H6B H 0.3110 0.0186 0.0232 0.063 Uiso 0.50 1 calc PR A 1 
H6C H 0.3689 0.0529 0.0710 0.063 Uiso 0.50 1 calc PR A 1 
C7 C 0.591(4) -0.0421(17) 0.207(2) 0.046(11) Uiso 0.50 1 d P A 1 
C71 C 0.643(3) -0.0875(12) 0.1915(19) 0.040(8) Uiso 0.50 1 d P A 1 
H71A H 0.6058 -0.1136 0.1999 0.060 Uiso 0.50 1 calc PR A 1 
H71B H 0.7034 -0.0891 0.2176 0.060 Uiso 0.50 1 calc PR A 1 
H71C H 0.6503 -0.0874 0.1475 0.060 Uiso 0.50 1 calc PR A 1 
C72 C 0.599(3) -0.0449(14) 0.281(2) 0.049(10) Uiso 0.50 1 d P A 1 
H72A H 0.5646 -0.0711 0.2922 0.074 Uiso 0.50 1 calc PR A 1 
H72B H 0.5729 -0.0175 0.2965 0.074 Uiso 0.50 1 calc PR A 1 
H72C H 0.6638 -0.0476 0.2999 0.074 Uiso 0.50 1 calc PR A 1 
C73 C 0.638(3) -0.0057(14) 0.195(2) 0.052(10) Uiso 0.50 1 d P A 1 
H73A H 0.6354 -0.0027 0.1496 0.078 Uiso 0.50 1 calc PR A 1 
H73B H 0.7027 -0.0087 0.2144 0.078 Uiso 0.50 1 calc PR A 1 
H73C H 0.6112 0.0210 0.2110 0.078 Uiso 0.50 1 calc PR A 1 
C6 C 0.352(4) 0.0185(18) 0.064(3) 0.054(13) Uiso 0.50 1 d P A 2 
C61 C 0.370(4) 0.016(2) 0.009(3) 0.077(16) Uiso 0.50 1 d P A 2 
H61A H 0.4365 0.0100 0.0105 0.115 Uiso 0.50 1 calc PR A 2 
H61B H 0.3536 0.0437 -0.0136 0.115 Uiso 0.50 1 calc PR A 2 
H61C H 0.3354 -0.0094 -0.0132 0.115 Uiso 0.50 1 calc PR A 2 
C62 C 0.349(5) 0.071(2) 0.086(4) 0.11(2) Uiso 0.50 1 d P A 2 
H62A H 0.4120 0.0817 0.0992 0.158 Uiso 0.50 1 calc PR A 2 
H62B H 0.3149 0.0729 0.1216 0.158 Uiso 0.50 1 calc PR A 2 
H62C H 0.3182 0.0892 0.0519 0.158 Uiso 0.50 1 calc PR A 2 
C63 C 0.229(4) 0.027(2) 0.050(3) 0.083(17) Uiso 0.50 1 d P A 2 
H63A H 0.1987 -0.0007 0.0333 0.125 Uiso 0.50 1 calc PR A 2 
H63B H 0.2141 0.0515 0.0203 0.125 Uiso 0.50 1 calc PR A 2 
H63C H 0.2082 0.0347 0.0894 0.125 Uiso 0.50 1 calc PR A 2 
C7 C 0.595(4) -0.0547(19) 0.223(3) 0.054(14) Uiso 0.50 1 d P A 2 
H7A H 0.5979 -0.0819 0.2486 0.081 Uiso 0.50 1 calc PR A 2 
H7B H 0.6141 -0.0287 0.2495 0.081 Uiso 0.50 1 calc PR A 2 
H7C H 0.6372 -0.0581 0.1922 0.081 Uiso 0.50 1 calc PR A 2 
O21 O 0.322(2) -0.0235(8) 0.2757(11) 0.104(8) Uani 1 1 d . . . 
O22 O 0.264(3) 0.0364(14) 0.223(3) 0.24(2) Uani 1 1 d . . . 
C23 C 0.306(3) 0.0118(15) 0.259(2) 0.125(18) Uani 1 1 d . . . 
C24 C 0.3594(11) 0.0413(6) 0.3091(7) 0.026(3) Uani 1 1 d . . . 
F25 F 0.3224(16) 0.0377(10) 0.3676(11) 0.135(9) Uani 1 1 d . . . 
F26 F 0.4412(17) 0.0339(11) 0.3264(16) 0.187(15) Uani 1 1 d . . . 
F27 F 0.348(4) 0.0855(12) 0.300(2) 0.26(2) Uani 1 1 d . . . 
C C 0.1310(14) -0.1908(7) 0.2310(8) 0.039(4) Uani 1 1 d . . . 
O O 0.0886(8) -0.2199(4) 0.2388(6) 0.038(3) Uani 1 1 d . . . 
P1 P 0.2517(3) -0.13339(19) 0.3748(2) 0.0395(11) Uani 1 1 d . . . 
P2 P 0.0782(4) -0.08447(18) 0.3099(2) 0.0410(11) Uani 1 1 d . . . 
P3 P 0.0083(4) -0.09561(17) 0.1379(2) 0.0380(11) Uani 1 1 d . . . 
P4 P 0.1169(3) -0.15856(17) 0.0634(2) 0.0356(10) Uani 1 1 d . . . 
P5 P 0.3370(3) -0.20906(17) 0.1378(2) 0.0375(11) Uani 1 1 d . . . 
P6 P 0.3860(3) -0.20725(17) 0.2793(2) 0.0357(10) Uani 1 1 d . . . 
C12 C 0.1827(16) -0.0816(7) 0.3658(11) 0.050(5) Uiso 1 1 d . . . 
H12A H 0.1662 -0.0735 0.4069 0.060 Uiso 1 1 calc R . . 
H12B H 0.2215 -0.0569 0.3534 0.060 Uiso 1 1 calc R . . 
C34 C 0.0621(14) -0.1036(6) 0.0672(9) 0.037(4) Uiso 1 1 d . . . 
H34A H 0.0144 -0.0998 0.0301 0.045 Uiso 1 1 calc R . . 
H34B H 0.1090 -0.0798 0.0659 0.045 Uiso 1 1 calc R . . 
C56 C 0.4275(17) -0.2036(8) 0.2032(11) 0.057(6) Uiso 1 1 d . . . 
H56A H 0.4586 -0.1742 0.2005 0.068 Uiso 1 1 calc R . . 
H56B H 0.4737 -0.2275 0.2010 0.068 Uiso 1 1 calc R . . 
C1A C 0.3568(10) -0.1147(5) 0.4256(7) 0.051(5) Uiso 1 1 d G . . 
C1B C 0.4171(14) -0.0865(6) 0.4007(7) 0.086(9) Uiso 1 1 d G . . 
H1BA H 0.4055 -0.0789 0.3578 0.104 Uiso 1 1 calc R . . 
C1C C 0.4946(13) -0.0696(7) 0.4386(10) 0.118(13) Uiso 1 1 d G . . 
H1CA H 0.5359 -0.0504 0.4215 0.141 Uiso 1 1 calc R . . 
C1D C 0.5117(11) -0.0808(7) 0.5014(10) 0.090(9) Uiso 1 1 d G . . 
H1DA H 0.5646 -0.0692 0.5273 0.109 Uiso 1 1 calc R . . 
C1E C 0.4513(13) -0.1090(6) 0.5263(7) 0.080(8) Uiso 1 1 d G . . 
H1EA H 0.4630 -0.1166 0.5693 0.095 Uiso 1 1 calc R . . 
C1F C 0.3738(11) -0.1259(5) 0.4885(7) 0.055(5) Uiso 1 1 d G . . 
H1FA H 0.3326 -0.1451 0.5055 0.066 Uiso 1 1 calc R . . 
C1G C 0.1907(10) -0.1706(4) 0.4197(6) 0.038(4) Uiso 1 1 d G . . 
C1H C 0.1589(11) -0.1548(3) 0.4726(7) 0.056(5) Uiso 1 1 d G . . 
H1HA H 0.1671 -0.1241 0.4843 0.067 Uiso 1 1 calc R . . 
C1I C 0.1151(12) -0.1840(5) 0.5085(6) 0.069(7) Uiso 1 1 d G . . 
H1IA H 0.0934 -0.1733 0.5446 0.082 Uiso 1 1 calc R . . 
C1J C 0.1031(11) -0.2290(4) 0.4913(7) 0.062(6) Uiso 1 1 d G . . 
H1JA H 0.0731 -0.2489 0.5158 0.074 Uiso 1 1 calc R . . 
C1K C 0.1349(11) -0.2447(3) 0.4384(7) 0.045(5) Uiso 1 1 d G . . 
H1KA H 0.1267 -0.2754 0.4267 0.054 Uiso 1 1 calc R . . 
C1L C 0.1787(10) -0.2155(4) 0.4026(6) 0.053(5) Uiso 1 1 d G . . 
H1LA H 0.2005 -0.2263 0.3664 0.064 Uiso 1 1 calc R . . 
C2A C 0.0337(12) -0.0271(4) 0.3012(9) 0.056(6) Uiso 1 1 d G . . 
C2B C -0.0606(11) -0.0197(5) 0.2860(10) 0.086(9) Uiso 1 1 d G . . 
H2BA H -0.1020 -0.0444 0.2817 0.103 Uiso 1 1 calc R . . 
C2C C -0.0942(9) 0.0239(7) 0.2772(10) 0.089(9) Uiso 1 1 d G . . 
H2CA H -0.1586 0.0290 0.2668 0.107 Uiso 1 1 calc R . . 
C2D C -0.0335(13) 0.0601(5) 0.2835(10) 0.083(8) Uiso 1 1 d G . . 
H2DA H -0.0565 0.0900 0.2774 0.099 Uiso 1 1 calc R . . 
C2E C 0.0608(12) 0.0527(5) 0.2986(9) 0.074(7) Uiso 1 1 d G . . 
H2EA H 0.1022 0.0775 0.3029 0.088 Uiso 1 1 calc R . . 
C2F C 0.0944(9) 0.0091(6) 0.3075(9) 0.070(7) Uiso 1 1 d G . . 
H2FA H 0.1588 0.0040 0.3178 0.084 Uiso 1 1 calc R . . 
C2G C -0.0023(12) -0.1137(5) 0.3529(8) 0.059(6) Uiso 1 1 d G . . 
C2H C -0.0318(14) -0.0918(5) 0.4027(9) 0.079(8) Uiso 1 1 d G . . 
H2HA H -0.0150 -0.0613 0.4115 0.095 Uiso 1 1 calc R . . 
C2I C -0.0857(16) -0.1145(7) 0.4397(8) 0.099(11) Uiso 1 1 d G . . 
H2IA H -0.1059 -0.0995 0.4738 0.119 Uiso 1 1 calc R . . 
C2J C -0.1102(15) -0.1591(7) 0.4270(9) 0.105(11) Uiso 1 1 d G . . 
H2JA H -0.1471 -0.1746 0.4522 0.126 Uiso 1 1 calc R . . 
C2K C -0.0807(14) -0.1810(5) 0.3772(10) 0.082(8) Uiso 1 1 d G . . 
H2KA H -0.0975 -0.2115 0.3684 0.098 Uiso 1 1 calc R . . 
C2L C -0.0267(13) -0.1583(5) 0.3401(8) 0.063(6) Uiso 1 1 d G . . 
H2LA H -0.0066 -0.1733 0.3061 0.075 Uiso 1 1 calc R . . 
C3A C -0.1021(9) -0.1259(5) 0.1266(7) 0.046(5) Uiso 1 1 d G . . 
C3B C -0.1235(10) -0.1514(5) 0.1760(6) 0.059(6) Uiso 1 1 d G . . 
H3BA H -0.0821 -0.1523 0.2143 0.071 Uiso 1 1 calc R . . 
C3C C -0.2054(11) -0.1757(5) 0.1694(7) 0.060(6) Uiso 1 1 d G . . 
H3CA H -0.2200 -0.1931 0.2032 0.073 Uiso 1 1 calc R . . 
C3D C -0.2658(9) -0.1744(5) 0.1134(8) 0.071(7) Uiso 1 1 d G . . 
H3DA H -0.3218 -0.1910 0.1089 0.085 Uiso 1 1 calc R . . 
C3E C -0.2444(10) -0.1489(6) 0.0641(6) 0.073(7) Uiso 1 1 d G . . 
H3EA H -0.2858 -0.1481 0.0258 0.088 Uiso 1 1 calc R . . 
C3F C -0.1626(11) -0.1247(5) 0.0707(6) 0.060(6) Uiso 1 1 d G . . 
H3FA H -0.1479 -0.1072 0.0369 0.072 Uiso 1 1 calc R . . 
C3G C -0.0210(10) -0.0368(4) 0.1335(8) 0.045(5) Uiso 1 1 d G . . 
C3H C -0.1126(9) -0.0231(4) 0.1252(8) 0.059(6) Uiso 1 1 d G . . 
H3HA H -0.1602 -0.0446 0.1259 0.071 Uiso 1 1 calc R . . 
C3I C -0.1345(9) 0.0222(5) 0.1159(9) 0.070(7) Uiso 1 1 d G . . 
H3IA H -0.1970 0.0316 0.1102 0.084 Uiso 1 1 calc R . . 
C3J C -0.0648(12) 0.0537(4) 0.1148(9) 0.066(6) Uiso 1 1 d G . . 
H3JA H -0.0798 0.0846 0.1084 0.079 Uiso 1 1 calc R . . 
C3K C 0.0268(10) 0.0400(5) 0.1232(9) 0.080(8) Uiso 1 1 d G . . 
H3KA H 0.0744 0.0615 0.1225 0.096 Uiso 1 1 calc R . . 
C3L C 0.0486(8) -0.0053(5) 0.1325(9) 0.073(7) Uiso 1 1 d G . . 
H3LA H 0.1112 -0.0147 0.1382 0.087 Uiso 1 1 calc R . . 
C4A C 0.1714(10) -0.1554(4) -0.0066(6) 0.043(4) Uiso 1 1 d G . . 
C4B C 0.1524(10) -0.1851(4) -0.0562(7) 0.057(6) Uiso 1 1 d G . . 
H4BA H 0.1119 -0.2098 -0.0539 0.068 Uiso 1 1 calc R . . 
C4C C 0.1926(12) -0.1789(5) -0.1093(6) 0.078(8) Uiso 1 1 d G . . 
H4CA H 0.1796 -0.1992 -0.1433 0.094 Uiso 1 1 calc R . . 
C4D C 0.2519(12) -0.1428(5) -0.1128(6) 0.067(7) Uiso 1 1 d G . . 
H4DA H 0.2794 -0.1385 -0.1491 0.080 Uiso 1 1 calc R . . 
C4E C 0.2710(10) -0.1130(4) -0.0631(7) 0.054(5) Uiso 1 1 d G . . 
H4EA H 0.3115 -0.0884 -0.0655 0.065 Uiso 1 1 calc R . . 
C4F C 0.2307(10) -0.1193(4) -0.0100(6) 0.049(5) Uiso 1 1 d G . . 
H4FA H 0.2437 -0.0989 0.0239 0.059 Uiso 1 1 calc R . . 
C4G C 0.0183(7) -0.1961(4) 0.0427(6) 0.038(4) Uiso 1 1 d G . . 
C4H C 0.0005(8) -0.2284(4) 0.0854(5) 0.041(4) Uiso 1 1 d G . . 
H4HA H 0.0425 -0.2327 0.1229 0.050 Uiso 1 1 calc R . . 
C4I C -0.0789(9) -0.2545(4) 0.0734(6) 0.056(5) Uiso 1 1 d G . . 
H4IA H -0.0911 -0.2765 0.1026 0.067 Uiso 1 1 calc R . . 
C4J C -0.1404(8) -0.2482(4) 0.0186(7) 0.051(5) Uiso 1 1 d G . . 
H4JA H -0.1947 -0.2660 0.0104 0.061 Uiso 1 1 calc R . . 
C4K C -0.1226(8) -0.2159(5) -0.0242(5) 0.055(5) Uiso 1 1 d G . . 
H4KA H -0.1646 -0.2116 -0.0616 0.066 Uiso 1 1 calc R . . 
C4L C -0.0432(9) -0.1898(4) -0.0121(5) 0.045(5) Uiso 1 1 d G . . 
H4LA H -0.0310 -0.1677 -0.0414 0.054 Uiso 1 1 calc R . . 
C5A C 0.3917(9) -0.1890(4) 0.0727(5) 0.036(4) Uiso 1 1 d G . . 
C5B C 0.3813(9) -0.2126(4) 0.0168(6) 0.047(5) Uiso 1 1 d G . . 
H5BA H 0.3440 -0.2388 0.0116 0.057 Uiso 1 1 calc R . . 
C5C C 0.4256(10) -0.1978(4) -0.0314(5) 0.057(6) Uiso 1 1 d G . . 
H5CA H 0.4185 -0.2139 -0.0696 0.068 Uiso 1 1 calc R . . 
C5D C 0.4803(10) -0.1594(5) -0.0238(6) 0.054(5) Uiso 1 1 d G . . 
H5DA H 0.5105 -0.1493 -0.0568 0.064 Uiso 1 1 calc R . . 
C5E C 0.4907(9) -0.1358(4) 0.0320(7) 0.058(6) Uiso 1 1 d G . . 
H5EA H 0.5280 -0.1095 0.0372 0.070 Uiso 1 1 calc R . . 
C5F C 0.4464(10) -0.1506(4) 0.0803(5) 0.048(5) Uiso 1 1 d G . . 
H5FA H 0.4535 -0.1344 0.1185 0.057 Uiso 1 1 calc R . . 
C5G C 0.3214(8) -0.2690(3) 0.1237(6) 0.038(4) Uiso 1 1 d G . . 
C5H C 0.2330(7) -0.2869(4) 0.1121(7) 0.044(4) Uiso 1 1 d G . . 
H5HA H 0.1811 -0.2679 0.1125 0.052 Uiso 1 1 calc R . . 
C5I C 0.2204(8) -0.3326(4) 0.1001(8) 0.056(6) Uiso 1 1 d G . . 
H5IA H 0.1600 -0.3448 0.0922 0.068 Uiso 1 1 calc R . . 
C5J C 0.2964(10) -0.3604(3) 0.0996(8) 0.067(7) Uiso 1 1 d G . . 
H5JA H 0.2878 -0.3917 0.0914 0.081 Uiso 1 1 calc R . . 
C5K C 0.3848(8) -0.3425(4) 0.1111(8) 0.055(5) Uiso 1 1 d G . . 
H5KA H 0.4367 -0.3615 0.1108 0.066 Uiso 1 1 calc R . . 
C5L C 0.3974(7) -0.2968(4) 0.1232(7) 0.048(5) Uiso 1 1 d G . . 
H5LA H 0.4578 -0.2846 0.1311 0.057 Uiso 1 1 calc R . . 
C6A C 0.4886(10) -0.1964(5) 0.3363(7) 0.051(5) Uiso 1 1 d G . . 
C6B C 0.5729(13) -0.1852(6) 0.3190(7) 0.081(8) Uiso 1 1 d G . . 
H6BA H 0.5782 -0.1826 0.2762 0.097 Uiso 1 1 calc R . . 
C6C C 0.6493(10) -0.1779(7) 0.3644(10) 0.105(11) Uiso 1 1 d G . . 
H6CA H 0.7069 -0.1703 0.3525 0.126 Uiso 1 1 calc R . . 
C6D C 0.6414(10) -0.1818(7) 0.4270(9) 0.091(9) Uiso 1 1 d G . . 
H6DA H 0.6936 -0.1768 0.4580 0.109 Uiso 1 1 calc R . . 
C6E C 0.5571(12) -0.1930(6) 0.4443(6) 0.065(6) Uiso 1 1 d G . . 
H6EA H 0.5517 -0.1957 0.4871 0.078 Uiso 1 1 calc R . . 
C6F C 0.4807(9) -0.2003(5) 0.3989(7) 0.053(5) Uiso 1 1 d G . . 
H6FA H 0.4231 -0.2080 0.4108 0.064 Uiso 1 1 calc R . . 
C6G C 0.3675(9) -0.2671(3) 0.2912(7) 0.046(5) Uiso 1 1 d G . . 
C6H C 0.4419(7) -0.2963(5) 0.3036(8) 0.055(5) Uiso 1 1 d G . . 
H6HA H 0.5031 -0.2849 0.3091 0.066 Uiso 1 1 calc R . . 
C6I C 0.4270(9) -0.3423(4) 0.3080(8) 0.068(7) Uiso 1 1 d G . . 
H6IA H 0.4779 -0.3623 0.3165 0.082 Uiso 1 1 calc R . . 
C6J C 0.3376(11) -0.3591(3) 0.3000(9) 0.073(7) Uiso 1 1 d G . . 
H6JA H 0.3274 -0.3905 0.3030 0.088 Uiso 1 1 calc R . . 
C6K C 0.2631(8) -0.3298(5) 0.2876(8) 0.064(7) Uiso 1 1 d G . . 
H6KA H 0.2020 -0.3413 0.2821 0.077 Uiso 1 1 calc R . . 
C6L C 0.2780(8) -0.2838(4) 0.2832(7) 0.047(5) Uiso 1 1 d G . . 
H6LA H 0.2271 -0.2639 0.2747 0.057 Uiso 1 1 calc R . . 
P10 P 0.3184(5) 0.3041(3) -0.1980(3) 0.079(2) Uani 1 1 d . . . 
F11 F 0.400(3) 0.2997(13) -0.2416(17) 0.105(10) Uiso 0.60 1 d P B 1 
F12 F 0.380(2) 0.2701(12) -0.1523(17) 0.086(9) Uiso 0.60 1 d P B 1 
F13 F 0.261(2) 0.3350(11) -0.2432(18) 0.091(9) Uiso 0.60 1 d P B 1 
F14 F 0.393(2) 0.3320(10) -0.1558(15) 0.078(8) Uiso 0.60 1 d P B 1 
F15 F 0.242(2) 0.2916(10) -0.1589(14) 0.072(7) Uiso 0.60 1 d P B 1 
F16 F 0.277(3) 0.2627(13) -0.2445(19) 0.114(12) Uiso 0.60 1 d P B 1 
F11 F 0.382(4) 0.3289(19) -0.243(3) 0.104(16) Uiso 0.40 1 d P B 2 
F12 F 0.361(5) 0.252(2) -0.168(3) 0.13(2) Uiso 0.40 1 d P B 2 
F13 F 0.265(4) 0.358(2) -0.220(3) 0.120(19) Uiso 0.40 1 d P B 2 
F14 F 0.362(3) 0.3471(16) -0.148(2) 0.085(13) Uiso 0.40 1 d P B 2 
F15 F 0.251(3) 0.3122(17) -0.144(2) 0.084(13) Uiso 0.40 1 d P B 2 
F16 F 0.236(5) 0.284(2) -0.242(3) 0.120(19) Uiso 0.40 1 d P B 2 
O91 O -0.018(4) 0.3265(19) 0.674(3) 0.21(2) Uiso 0.75 1 d P . . 
C92 C 0.014(5) 0.349(2) 0.714(3) 0.142(19) Uiso 0.75 1 d P . . 
C93 C 0.059(4) 0.387(2) 0.705(3) 0.139(19) Uiso 0.75 1 d P . . 
H93A H 0.0494 0.3947 0.6608 0.209 Uiso 0.75 1 calc PR . . 
H93B H 0.1249 0.3839 0.7204 0.209 Uiso 0.75 1 calc PR . . 
H93C H 0.0344 0.4119 0.7282 0.209 Uiso 0.75 1 calc PR . . 
C94 C 0.018(4) 0.3247(17) 0.774(3) 0.117(16) Uiso 0.75 1 d P . . 
H94A H -0.0164 0.2965 0.7676 0.176 Uiso 0.75 1 calc PR . . 
H94B H -0.0086 0.3436 0.8037 0.176 Uiso 0.75 1 calc PR . . 
H94C H 0.0827 0.3180 0.7915 0.176 Uiso 0.75 1 calc PR . . 

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 
Tl 0.0312(4) 0.0425(4) 0.0399(4) 0.0032(3) -0.0024(3) -0.0040(3) 
Pt1 0.0245(4) 0.0413(4) 0.0287(3) 0.0021(3) -0.0047(3) 0.0008(3) 
Pt2 0.0229(3) 0.0407(4) 0.0294(3) -0.0003(3) -0.0036(3) 0.0014(3) 
Pt3 0.0253(4) 0.0392(4) 0.0288(3) -0.0014(3) -0.0041(3) 0.0018(3) 
O1 0.098(15) 0.068(11) 0.050(10) 0.007(8) 0.016(10) -0.032(10) 
C2 0.084(19) 0.059(14) 0.028(10) 0.000(9) -0.011(12) -0.005(13) 
C3 0.046(15) 0.090(19) 0.09(2) 0.002(16) 0.022(16) -0.004(14) 
C4 0.039(13) 0.066(15) 0.080(19) -0.026(14) 0.002(13) -0.014(11) 
O5 0.046(9) 0.048(9) 0.103(15) -0.011(8) 0.037(10) 0.005(7) 
O21 0.15(2) 0.078(15) 0.084(16) 0.014(12) 0.033(16) -0.017(15) 
O22 0.25(5) 0.15(3) 0.32(6) 0.07(3) 0.07(4) 0.11(3) 
C23 0.15(4) 0.09(3) 0.17(4) 0.00(3) 0.13(4) -0.01(3) 
C24 0.014(8) 0.041(9) 0.020(7) -0.003(7) -0.006(7) 0.004(7) 
F25 0.091(15) 0.21(3) 0.099(17) -0.031(17) -0.003(13) 0.013(16) 
F26 0.076(16) 0.24(3) 0.23(4) -0.13(3) -0.011(19) -0.017(18) 
F27 0.37(6) 0.16(3) 0.26(5) -0.01(3) 0.11(4) 0.09(3) 
C 0.046(12) 0.050(11) 0.016(7) -0.008(7) -0.008(8) -0.022(9) 
O 0.019(6) 0.051(8) 0.038(7) -0.002(6) -0.015(6) -0.011(6) 
P1 0.028(2) 0.059(3) 0.028(2) 0.003(2) -0.006(2) 0.001(2) 
P2 0.034(3) 0.056(3) 0.032(2) -0.003(2) 0.003(2) 0.008(2) 
P3 0.031(3) 0.043(3) 0.037(3) 0.002(2) -0.004(2) 0.008(2) 
P4 0.031(2) 0.045(3) 0.027(2) -0.0026(19) -0.005(2) 0.000(2) 
P5 0.029(2) 0.047(3) 0.035(2) -0.001(2) -0.001(2) 0.005(2) 
P6 0.032(3) 0.042(3) 0.029(2) 0.0034(19) -0.004(2) 0.002(2) 
P10 0.048(4) 0.143(8) 0.043(3) 0.025(4) -0.006(3) -0.010(4) 

_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 
Tl O1 2.275(16) . ? 
Tl O5 2.304(15) . ? 
Tl O21 2.39(2) . ? 
Tl Pt1 2.8672(10) . ? 
Tl Pt2 2.9062(10) . ? 
Tl Pt3 2.9350(10) . ? 
Pt1 C 2.178(19) . ? 
Pt1 P6 2.285(5) . ? 
Pt1 P1 2.303(5) . ? 
Pt1 Pt3 2.6321(10) . ? 
Pt1 Pt2 2.6405(10) . ? 
Pt2 C 2.14(2) . ? 
Pt2 P2 2.295(5) . ? 
Pt2 P3 2.297(5) . ? 
Pt2 Pt3 2.6420(9) . ? 
Pt3 C 2.207(18) . ? 
Pt3 P4 2.272(5) . ? 
Pt3 P5 2.303(5) . ? 
O1 C2 1.22(3) . ? 
C2 C6 1.42(6) . ? 
C2 C3 1.44(4) . ? 
C2 C6 1.66(5) . ? 
C3 C4 1.37(4) . ? 
C4 O5 1.30(3) . ? 
C4 C7 1.48(6) . ? 
C4 C7 1.63(6) . ? 
C7 C73 1.33(6) . ? 
C7 C71 1.61(6) . ? 
C7 C72 1.60(6) . ? 
C6 C61 1.28(7) . ? 
C6 C62 1.63(9) . ? 
C6 C63 1.79(8) . ? 
O21 C23 1.13(5) . ? 
O22 C23 1.16(6) . ? 
C23 C24 1.52(5) . ? 
C24 F26 1.22(3) . ? 
C24 F27 1.33(4) . ? 
C24 F25 1.46(3) . ? 
C O 1.09(2) . ? 
P1 C1G 1.803(11) . ? 
P1 C12 1.84(2) . ? 
P1 C1A 1.837(15) . ? 
P2 C12 1.81(2) . ? 
P2 C2A 1.824(14) . ? 
P2 C2G 1.838(14) . ? 
P3 C3G 1.798(12) . ? 
P3 C3A 1.837(12) . ? 
P3 C34 1.850(18) . ? 
P4 C4G 1.826(10) . ? 
P4 C34 1.829(19) . ? 
P4 C4A 1.831(11) . ? 
P5 C56 1.80(3) . ? 
P5 C5G 1.815(10) . ? 
P5 C5A 1.834(10) . ? 
P6 C6A 1.823(15) . ? 
P6 C6G 1.823(11) . ? 
P6 C56 1.85(2) . ? 
C1A C1B 1.3900 . ? 
C1A C1F 1.3900 . ? 
C1B C1C 1.3900 . ? 
C1C C1D 1.3900 . ? 
C1D C1E 1.3900 . ? 
C1E C1F 1.3900 . ? 
C1G C1H 1.3900 . ? 
C1G C1L 1.3900 . ? 
C1H C1I 1.3900 . ? 
C1I C1J 1.3900 . ? 
C1J C1K 1.3900 . ? 
C1K C1L 1.3900 . ? 
C2A C2B 1.3900 . ? 
C2A C2F 1.3900 . ? 
C2B C2C 1.3900 . ? 
C2C C2D 1.3900 . ? 
C2D C2E 1.3900 . ? 
C2E C2F 1.3900 . ? 
C2G C2H 1.3900 . ? 
C2G C2L 1.3900 . ? 
C2H C2I 1.3900 . ? 
C2I C2J 1.3900 . ? 
C2J C2K 1.3900 . ? 
C2K C2L 1.3900 . ? 
C3A C3B 1.3900 . ? 
C3A C3F 1.3900 . ? 
C3B C3C 1.3900 . ? 
C3C C3D 1.3900 . ? 
C3D C3E 1.3900 . ? 
C3E C3F 1.3900 . ? 
C3G C3H 1.3900 . ? 
C3G C3L 1.3900 . ? 
C3H C3I 1.3900 . ? 
C3I C3J 1.3900 . ? 
C3J C3K 1.3900 . ? 
C3K C3L 1.3900 . ? 
C4A C4B 1.3900 . ? 
C4A C4F 1.3900 . ? 
C4B C4C 1.3900 . ? 
C4C C4D 1.3900 . ? 
C4D C4E 1.3900 . ? 
C4E C4F 1.3900 . ? 
C4G C4H 1.3900 . ? 
C4G C4L 1.3900 . ? 
C4H C4I 1.3900 . ? 
C4I C4J 1.3900 . ? 
C4J C4K 1.3900 . ? 
C4K C4L 1.3900 . ? 
C5A C5B 1.3900 . ? 
C5A C5F 1.3900 . ? 
C5B C5C 1.3900 . ? 
C5C C5D 1.3900 . ? 
C5D C5E 1.3900 . ? 
C5E C5F 1.3900 . ? 
C5G C5H 1.3900 . ? 
C5G C5L 1.3900 . ? 
C5H C5I 1.3900 . ? 
C5I C5J 1.3900 . ? 
C5J C5K 1.3900 . ? 
C5K C5L 1.3900 . ? 
C6A C6B 1.3900 . ? 
C6A C6F 1.3900 . ? 
C6B C6C 1.3900 . ? 
C6C C6D 1.3900 . ? 
C6D C6E 1.3900 . ? 
C6E C6F 1.3900 . ? 
C6G C6H 1.3900 . ? 
C6G C6L 1.3900 . ? 
C6H C6I 1.3900 . ? 
C6I C6J 1.3900 . ? 
C6J C6K 1.3900 . ? 
C6K C6L 1.3900 . ? 
P10 F13 1.50(4) . ? 
P10 F16 1.54(7) . ? 
P10 F14 1.55(3) . ? 
P10 F15 1.56(3) . ? 
P10 F12 1.60(4) . ? 
P10 F11 1.63(5) . ? 
P10 F16 1.65(4) . ? 
P10 F11 1.65(4) . ? 
P10 F15 1.67(5) . ? 
P10 F14 1.73(5) . ? 
P10 F12 1.75(7) . ? 
P10 F13 1.80(7) . ? 
O91 C92 1.14(8) . ? 
O91 C94 2.16(8) . ? 
C92 C93 1.35(7) . ? 
C92 C94 1.48(8) . ? 

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 
O1 Tl O5 79.5(7) . . ? 
O1 Tl O21 92.7(7) . . ? 
O5 Tl O21 82.3(8) . . ? 
O1 Tl Pt1 160.9(4) . . ? 
O5 Tl Pt1 105.5(4) . . ? 
O21 Tl Pt1 106.1(5) . . ? 
O1 Tl Pt2 118.1(5) . . ? 
O5 Tl Pt2 159.5(4) . . ? 
O21 Tl Pt2 105.8(6) . . ? 
Pt1 Tl Pt2 54.43(2) . . ? 
O1 Tl Pt3 107.0(4) . . ? 
O5 Tl Pt3 113.3(4) . . ? 
O21 Tl Pt3 156.5(5) . . ? 
Pt1 Tl Pt3 53.94(2) . . ? 
Pt2 Tl Pt3 53.78(2) . . ? 
C Pt1 P6 114.8(6) . . ? 
C Pt1 P1 113.7(5) . . ? 
P6 Pt1 P1 111.12(18) . . ? 
C Pt1 Pt3 53.6(4) . . ? 
P6 Pt1 Pt3 93.88(12) . . ? 
P1 Pt1 Pt3 154.91(13) . . ? 
C Pt1 Pt2 51.7(6) . . ? 
P6 Pt1 Pt2 154.02(13) . . ? 
P1 Pt1 Pt2 94.83(13) . . ? 
Pt3 Pt1 Pt2 60.14(3) . . ? 
C Pt1 Tl 104.9(5) . . ? 
P6 Pt1 Tl 106.68(12) . . ? 
P1 Pt1 Tl 104.60(14) . . ? 
Pt3 Pt1 Tl 64.34(3) . . ? 
Pt2 Pt1 Tl 63.54(3) . . ? 
C Pt2 P2 114.6(5) . . ? 
C Pt2 P3 116.2(5) . . ? 
P2 Pt2 P3 108.80(18) . . ? 
C Pt2 Pt1 53.0(5) . . ? 
P2 Pt2 Pt1 96.08(14) . . ? 
P3 Pt2 Pt1 154.83(13) . . ? 
C Pt2 Pt3 53.7(5) . . ? 
P2 Pt2 Pt3 155.81(14) . . ? 
P3 Pt2 Pt3 95.21(12) . . ? 
Pt1 Pt2 Pt3 59.77(3) . . ? 
C Pt2 Tl 104.7(5) . . ? 
P2 Pt2 Tl 105.34(14) . . ? 
P3 Pt2 Tl 106.22(13) . . ? 
Pt1 Pt2 Tl 62.03(3) . . ? 
Pt3 Pt2 Tl 63.67(3) . . ? 
C Pt3 P4 113.3(5) . . ? 
C Pt3 P5 121.6(6) . . ? 
P4 Pt3 P5 107.90(18) . . ? 
C Pt3 Pt1 52.6(5) . . ? 
P4 Pt3 Pt1 155.77(13) . . ? 
P5 Pt3 Pt1 96.16(13) . . ? 
C Pt3 Pt2 51.4(5) . . ? 
P4 Pt3 Pt2 95.69(12) . . ? 
P5 Pt3 Pt2 155.15(14) . . ? 
Pt1 Pt3 Pt2 60.09(3) . . ? 
C Pt3 Tl 102.0(5) . . ? 
P4 Pt3 Tl 109.42(13) . . ? 
P5 Pt3 Tl 101.13(13) . . ? 
Pt1 Pt3 Tl 61.71(3) . . ? 
Pt2 Pt3 Tl 62.55(3) . . ? 
C2 O1 Tl 126.7(17) . . ? 
O1 C2 C6 123(3) . . ? 
O1 C2 C3 126(2) . . ? 
C6 C2 C3 110(3) . . ? 
O1 C2 C6 113(3) . . ? 
C6 C2 C6 18(2) . . ? 
C3 C2 C6 121(3) . . ? 
C4 C3 C2 127(2) . . ? 
O5 C4 C3 125(2) . . ? 
O5 C4 C7 120(3) . . ? 
C3 C4 C7 114(3) . . ? 
O5 C4 C7 103(3) . . ? 
C3 C4 C7 132(3) . . ? 
C7 C4 C7 18(2) . . ? 
C4 O5 Tl 124.8(16) . . ? 
C73 C7 C4 123(5) . . ? 
C73 C7 C71 111(4) . . ? 
C4 C7 C71 109(4) . . ? 
C73 C7 C72 107(4) . . ? 
C4 C7 C72 101(3) . . ? 
C71 C7 C72 102(4) . . ? 
C61 C6 C2 131(5) . . ? 
C61 C6 C62 111(5) . . ? 
C2 C6 C62 114(4) . . ? 
C61 C6 C63 102(5) . . ? 
C2 C6 C63 100(4) . . ? 
C62 C6 C63 81(4) . . ? 
C23 O21 Tl 119(3) . . ? 
O21 C23 O22 150(7) . . ? 
O21 C23 C24 104(5) . . ? 
O22 C23 C24 106(4) . . ? 
F26 C24 F27 108(3) . . ? 
F26 C24 F25 102(2) . . ? 
F27 C24 F25 98(2) . . ? 
F26 C24 C23 119(2) . . ? 
F27 C24 C23 115(3) . . ? 
F25 C24 C23 111.1(19) . . ? 
O C Pt2 136.4(18) . . ? 
O C Pt1 135.6(16) . . ? 
Pt2 C Pt1 75.4(6) . . ? 
O C Pt3 134.6(14) . . ? 
Pt2 C Pt3 74.8(6) . . ? 
Pt1 C Pt3 73.8(6) . . ? 
C1G P1 C12 104.9(8) . . ? 
C1G P1 C1A 107.5(7) . . ? 
C12 P1 C1A 102.0(9) . . ? 
C1G P1 Pt1 112.1(5) . . ? 
C12 P1 Pt1 108.6(8) . . ? 
C1A P1 Pt1 120.3(6) . . ? 
C12 P2 C2A 106.2(9) . . ? 
C12 P2 C2G 103.1(10) . . ? 
C2A P2 C2G 104.2(8) . . ? 
C12 P2 Pt2 108.3(7) . . ? 
C2A P2 Pt2 117.2(6) . . ? 
C2G P2 Pt2 116.6(6) . . ? 
C3G P3 C3A 105.7(7) . . ? 
C3G P3 C34 102.2(8) . . ? 
C3A P3 C34 108.1(8) . . ? 
C3G P3 Pt2 117.7(6) . . ? 
C3A P3 Pt2 114.3(5) . . ? 
C34 P3 Pt2 107.9(7) . . ? 
C4G P4 C34 102.7(8) . . ? 
C4G P4 C4A 105.1(6) . . ? 
C34 P4 C4A 104.2(8) . . ? 
C4G P4 Pt3 117.4(5) . . ? 
C34 P4 Pt3 107.4(7) . . ? 
C4A P4 Pt3 118.2(5) . . ? 
C56 P5 C5G 106.3(9) . . ? 
C56 P5 C5A 102.9(9) . . ? 
C5G P5 C5A 104.4(6) . . ? 
C56 P5 Pt3 109.9(8) . . ? 
C5G P5 Pt3 115.7(4) . . ? 
C5A P5 Pt3 116.4(5) . . ? 
C6A P6 C6G 101.6(7) . . ? 
C6A P6 C56 104.1(10) . . ? 
C6G P6 C56 105.2(9) . . ? 
C6A P6 Pt1 119.3(6) . . ? 
C6G P6 Pt1 116.0(5) . . ? 
C56 P6 Pt1 109.1(8) . . ? 
P2 C12 P1 115.3(12) . . ? 
P4 C34 P3 113.6(10) . . ? 
P5 C56 P6 113.3(13) . . ? 
C1B C1A C1F 120.0 . . ? 
C1B C1A P1 118.3(10) . . ? 
C1F C1A P1 121.6(10) . . ? 
C1A C1B C1C 120.0 . . ? 
C1D C1C C1B 120.0 . . ? 
C1E C1D C1C 120.0 . . ? 
C1D C1E C1F 120.0 . . ? 
C1E C1F C1A 120.0 . . ? 
C1H C1G C1L 120.0 . . ? 
C1H C1G P1 120.2(7) . . ? 
C1L C1G P1 119.8(7) . . ? 
C1G C1H C1I 120.0 . . ? 
C1J C1I C1H 120.0 . . ? 
C1I C1J C1K 120.0 . . ? 
C1L C1K C1J 120.0 . . ? 
C1K C1L C1G 120.0 . . ? 
C2B C2A C2F 120.0 . . ? 
C2B C2A P2 120.0(10) . . ? 
C2F C2A P2 119.9(10) . . ? 
C2A C2B C2C 120.0 . . ? 
C2B C2C C2D 120.0 . . ? 
C2E C2D C2C 120.0 . . ? 
C2F C2E C2D 120.0 . . ? 
C2E C2F C2A 120.0 . . ? 
C2H C2G C2L 120.0 . . ? 
C2H C2G P2 118.7(10) . . ? 
C2L C2G P2 121.0(10) . . ? 
C2G C2H C2I 120.0 . . ? 
C2J C2I C2H 120.0 . . ? 
C2K C2J C2I 120.0 . . ? 
C2J C2K C2L 120.0 . . ? 
C2K C2L C2G 120.0 . . ? 
C3B C3A C3F 120.0 . . ? 
C3B C3A P3 117.8(9) . . ? 
C3F C3A P3 122.2(9) . . ? 
C3A C3B C3C 120.0 . . ? 
C3D C3C C3B 120.0 . . ? 
C3C C3D C3E 120.0 . . ? 
C3F C3E C3D 120.0 . . ? 
C3E C3F C3A 120.0 . . ? 
C3H C3G C3L 120.0 . . ? 
C3H C3G P3 120.7(9) . . ? 
C3L C3G P3 119.0(9) . . ? 
C3G C3H C3I 120.0 . . ? 
C3J C3I C3H 120.0 . . ? 
C3K C3J C3I 120.0 . . ? 
C3J C3K C3L 120.0 . . ? 
C3K C3L C3G 120.0 . . ? 
C4B C4A C4F 120.0 . . ? 
C4B C4A P4 123.5(8) . . ? 
C4F C4A P4 116.4(8) . . ? 
C4C C4B C4A 120.0 . . ? 
C4B C4C C4D 120.0 . . ? 
C4E C4D C4C 120.0 . . ? 
C4F C4E C4D 120.0 . . ? 
C4E C4F C4A 120.0 . . ? 
C4H C4G C4L 120.0 . . ? 
C4H C4G P4 118.8(7) . . ? 
C4L C4G P4 120.9(7) . . ? 
C4G C4H C4I 120.0 . . ? 
C4H C4I C4J 120.0 . . ? 
C4K C4J C4I 120.0 . . ? 
C4J C4K C4L 120.0 . . ? 
C4K C4L C4G 120.0 . . ? 
C5B C5A C5F 120.0 . . ? 
C5B C5A P5 120.6(7) . . ? 
C5F C5A P5 119.4(7) . . ? 
C5C C5B C5A 120.0 . . ? 
C5B C5C C5D 120.0 . . ? 
C5E C5D C5C 120.0 . . ? 
C5D C5E C5F 120.0 . . ? 
C5E C5F C5A 120.0 . . ? 
C5H C5G C5L 120.0 . . ? 
C5H C5G P5 119.7(7) . . ? 
C5L C5G P5 120.3(7) . . ? 
C5G C5H C5I 120.0 . . ? 
C5J C5I C5H 120.0 . . ? 
C5I C5J C5K 120.0 . . ? 
C5L C5K C5J 120.0 . . ? 
C5K C5L C5G 120.0 . . ? 
C6B C6A C6F 120.0 . . ? 
C6B C6A P6 122.3(10) . . ? 
C6F C6A P6 117.7(9) . . ? 
C6C C6B C6A 120.0 . . ? 
C6B C6C C6D 120.0 . . ? 
C6E C6D C6C 120.0 . . ? 
C6D C6E C6F 120.0 . . ? 
C6E C6F C6A 120.0 . . ? 
C6H C6G C6L 120.0 . . ? 
C6H C6G P6 120.4(8) . . ? 
C6L C6G P6 119.4(8) . . ? 
C6G C6H C6I 120.0 . . ? 
C6J C6I C6H 120.0 . . ? 
C6K C6J C6I 120.0 . . ? 
C6L C6K C6J 120.0 . . ? 
C6K C6L C6G 120.0 . . ? 
F13 P10 F16 62(3) . . ? 
F13 P10 F14 109.5(19) . . ? 
F16 P10 F14 171(3) . . ? 
F13 P10 F15 97.0(17) . . ? 
F16 P10 F15 71(3) . . ? 
F14 P10 F15 107.8(17) . . ? 
F13 P10 F12 178(2) . . ? 
F16 P10 F12 117(3) . . ? 
F14 P10 F12 72.1(18) . . ? 
F15 P10 F12 84.0(16) . . ? 
F13 P10 F11 69(2) . . ? 
F16 P10 F11 106(3) . . ? 
F14 P10 F11 73(2) . . ? 
F15 P10 F11 165(2) . . ? 
F12 P10 F11 110(2) . . ? 
F13 P10 F16 87(2) . . ? 
F16 P10 F16 32(2) . . ? 
F14 P10 F16 157(2) . . ? 
F15 P10 F16 86.0(18) . . ? 
F12 P10 F16 91(2) . . ? 
F11 P10 F16 99(2) . . ? 
F13 P10 F11 93.4(19) . . ? 
F16 P10 F11 101(3) . . ? 
F14 P10 F11 82.8(18) . . ? 
F15 P10 F11 161.5(19) . . ? 
F12 P10 F11 85.1(18) . . ? 
F11 P10 F11 32.2(18) . . ? 
F16 P10 F11 79.4(19) . . ? 
F13 P10 F15 92(2) . . ? 
F16 P10 F15 90(3) . . ? 
F14 P10 F15 87(2) . . ? 
F15 P10 F15 24.5(17) . . ? 
F12 P10 F15 90(2) . . ? 
F11 P10 F15 145(3) . . ? 
F16 P10 F15 110(2) . . ? 
F11 P10 F15 170(2) . . ? 
F13 P10 F14 94(2) . . ? 
F16 P10 F14 148(3) . . ? 
F14 P10 F14 23.2(17) . . ? 
F15 P10 F14 93(2) . . ? 
F12 P10 F14 88(2) . . ? 
F11 P10 F14 82(3) . . ? 
F16 P10 F14 179(2) . . ? 
F11 P10 F14 101(2) . . ? 
F15 P10 F14 70(2) . . ? 
F13 P10 F12 156(3) . . ? 
F16 P10 F12 95(4) . . ? 
F14 P10 F12 94(3) . . ? 
F15 P10 F12 80(2) . . ? 
F12 P10 F12 22(3) . . ? 
F11 P10 F12 115(3) . . ? 
F16 P10 F12 69(3) . . ? 
F11 P10 F12 84(3) . . ? 
F15 P10 F12 94(3) . . ? 
F14 P10 F12 110(3) . . ? 
F13 P10 F13 28(2) . . ? 
F16 P10 F13 85(3) . . ? 
F14 P10 F13 86(2) . . ? 
F15 P10 F13 92(2) . . ? 
F12 P10 F13 155(3) . . ? 
F11 P10 F13 73(3) . . ? 
F16 P10 F13 113(3) . . ? 
F11 P10 F13 104(2) . . ? 
F15 P10 F13 77(3) . . ? 
F14 P10 F13 67(3) . . ? 
F12 P10 F13 171(3) . . ? 
C92 O91 C94 40(5) . . ? 
O91 C92 C93 122(7) . . ? 
O91 C92 C94 110(7) . . ? 
C93 C92 C94 126(7) . . ? 
C92 C94 O91 30(3) . . ? 

_diffrn_measured_fraction_theta_max    0.775 
_diffrn_reflns_theta_full              27.60 
_diffrn_measured_fraction_theta_full   0.775 
_refine_diff_density_max    6.201 
_refine_diff_density_min   -3.916 
_refine_diff_density_rms    0.350