Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2003

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

loop_
_publ_author_name
'Lawrence F. Dahl'
'Eugeny Mednikov'

_publ_contact_author_name        'Prof Lawrence F Dahl'
_publ_contact_author_address     
;
Department of Chemistry
University of Wisconsin-Madison
Madison
WI
53706
UNITED STATES OF AMERICA
;

_publ_contact_author_email       DAHL@CHEM.WISC.EDU

_publ_section_title              
;
Formation of Open Thallium(I) Sandwich M3TlM3 Clusters, 
[(µ6-Tl)M6(µ2-CO)6(PEt3)6]+ (M = Pt, Pd), with Two Unconnected Triangular 
M3(µ2-CO)3(PEt3)3 Units: Implications of Comparative Analysis of Isostructural 
5d106s2 Tl(I)-(M3)2 Sandwiches (M = Pt, Pd) with known 5d10  Au(I)-(Pt3)2 
Sandwich
;

data_dahl160
_database_code_CSD               202091

_chemical_name_common            
'Platinum-Thallium Carbonyl Phosphine Sandwich Cluster'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H90 F6 O6 P7 Pt6 Tl'
_chemical_formula_weight         2396.84

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   C2/c

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

_cell_length_a                   22.9611(13)
_cell_length_b                   24.4812(14)
_cell_length_c                   22.4513(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.7950(10)
_cell_angle_gamma                90.00
_cell_volume                     12576.0(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'block-shaped crystal'
_exptl_crystal_colour            'dark red-green'
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8784
_exptl_absorpt_coefficient_mu    16.082
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.0565
_exptl_absorpt_correction_T_max  0.1599
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      100(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  'SMART CCD 1000 area detector difractometer'
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        <1%
_diffrn_reflns_number            12832
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         26.39
_reflns_number_total             12832
_reflns_number_gt                11620
_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.   
[(m6-Tl)Pt6(m2-CO)6L6]+ structure contains two disordered C2H5 groups, 
attached to P1 atom with site occupancies, 0.6/0.4 and 0.5/0.5.
All non-hydrogen atoms with the exception of the C atoms of the two 
disordered C2H5 groups, were refined anisotropically. 
Distance restraints were applied to all Et-substituents 
connected to P1 atom. The hydrogen atoms were generated geometrically. 
;

_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^)+(0.0178P)^2^+52.5361P] 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_number_reflns         12832
_refine_ls_number_parameters     633
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0558
_refine_ls_wR_factor_gt          0.0544
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_restrained_S_all      1.116
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_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_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 -0.001974(8) 0.261510(8) 0.501332(8) 0.01867(5) Uani 1 1 d . . .
Pt1 Pt 0.009031(8) 0.325726(8) 0.614662(8) 0.01566(5) Uani 1 1 d . A .
Pt2 Pt -0.064935(8) 0.241701(7) 0.606223(8) 0.01310(5) Uani 1 1 d . A .
Pt3 Pt -0.091568(8) 0.333556(7) 0.546367(8) 0.01368(5) Uani 1 1 d . A .
Pt4 Pt -0.015805(8) 0.201545(7) 0.377966(8) 0.01340(5) Uani 1 1 d . . .
Pt5 Pt 0.065379(8) 0.278581(7) 0.400306(8) 0.01341(5) Uani 1 1 d . . .
Pt6 Pt 0.076531(8) 0.182092(7) 0.454731(8) 0.01347(5) Uani 1 1 d . . .
P1 P 0.09270(7) 0.36306(6) 0.65828(8) 0.0345(4) Uani 1 1 d D . .
P2 P -0.09076(6) 0.15726(5) 0.63718(6) 0.0171(3) Uani 1 1 d . . .
P3 P -0.15920(5) 0.38400(5) 0.49032(6) 0.0145(3) Uani 1 1 d . . .
P4 P -0.09838(5) 0.17479(5) 0.32254(6) 0.0155(3) Uani 1 1 d . . .
P5 P 0.09882(6) 0.36208(5) 0.37489(6) 0.0169(3) Uani 1 1 d . . .
P6 P 0.13312(6) 0.12224(5) 0.51105(6) 0.0163(3) Uani 1 1 d . . .
P7 P 0.26092(6) 0.48146(6) 0.23998(6) 0.0218(3) Uani 1 1 d . . .
F1 F 0.2592(2) 0.51719(17) 0.29901(18) 0.0573(12) Uani 1 1 d . . .
F2 F 0.27150(18) 0.42761(15) 0.27939(17) 0.0448(10) Uani 1 1 d . . .
F3 F 0.32907(16) 0.49085(19) 0.2411(2) 0.0578(12) Uani 1 1 d . . .
F4 F 0.2644(2) 0.44606(16) 0.18044(16) 0.0533(11) Uani 1 1 d . . .
F5 F 0.24927(17) 0.53528(15) 0.19995(17) 0.0458(10) Uani 1 1 d . . .
F6 F 0.19230(16) 0.47247(17) 0.2383(2) 0.0586(12) Uani 1 1 d . . .
O1 O 0.03930(16) 0.23057(16) 0.69999(17) 0.0276(9) Uani 1 1 d . A .
O2 O -0.19015(16) 0.24931(15) 0.54823(16) 0.0225(8) Uani 1 1 d . A .
O3 O -0.0226(2) 0.43967(16) 0.5670(2) 0.0467(13) Uani 1 1 d . A .
O4 O -0.03125(16) 0.30497(15) 0.30185(16) 0.0236(8) Uani 1 1 d . . .
O5 O 0.18772(16) 0.25202(15) 0.45827(18) 0.0261(9) Uani 1 1 d . . .
O6 O -0.00482(16) 0.08454(15) 0.42715(17) 0.0251(8) Uani 1 1 d . . .
C1 C 0.0113(2) 0.2523(2) 0.6606(2) 0.0171(10) Uani 1 1 d . . .
C2 C -0.1419(2) 0.2640(2) 0.5580(2) 0.0162(10) Uani 1 1 d . . .
C3 C -0.0292(2) 0.3929(2) 0.5708(3) 0.0251(12) Uani 1 1 d . . .
C4 C -0.0087(2) 0.2773(2) 0.3396(2) 0.0167(10) Uani 1 1 d . . .
C5 C 0.1374(2) 0.2453(2) 0.4489(2) 0.0178(11) Uani 1 1 d . . .
C6 C 0.0083(2) 0.1308(2) 0.4229(2) 0.0177(10) Uani 1 1 d . . .
C11 C 0.0978(2) 0.43774(10) 0.6587(3) 0.0339(14) Uani 1 1 d D A .
H11A H 0.1381 0.4486 0.6728 0.041 Uiso 1 1 calc R . .
H11B H 0.0897 0.4515 0.6174 0.041 Uiso 1 1 calc R . .
C12 C 0.1621(3) 0.3271(5) 0.6533(5) 0.034(4) Uiso 0.433(13) 1 d PD A -1
H12A H 0.1945 0.3450 0.6779 0.040 Uiso 0.433(13) 1 calc PR A -1
H12B H 0.1595 0.2884 0.6652 0.040 Uiso 0.433(13) 1 calc PR A -1
C15 C 0.1691(6) 0.3331(6) 0.5862(4) 0.030(4) Uiso 0.433(13) 1 d PD A -1
H15A H 0.1346 0.3180 0.5633 0.044 Uiso 0.433(13) 1 calc PR A -1
H15B H 0.2040 0.3133 0.5762 0.044 Uiso 0.433(13) 1 calc PR A -1
H15C H 0.1730 0.3719 0.5763 0.044 Uiso 0.433(13) 1 calc PR A -1
C102 C 0.1535(3) 0.3575(4) 0.6102(4) 0.035(3) Uiso 0.567(13) 1 d PD A -2
H10A H 0.1407 0.3747 0.5714 0.043 Uiso 0.567(13) 1 calc PR A -2
H10B H 0.1862 0.3799 0.6286 0.043 Uiso 0.567(13) 1 calc PR A -2
C105 C 0.1780(5) 0.3009(4) 0.5971(5) 0.037(3) Uiso 0.567(13) 1 d PD A -2
H10C H 0.1981 0.2858 0.6338 0.055 Uiso 0.567(13) 1 calc PR A -2
H10D H 0.2058 0.3041 0.5664 0.055 Uiso 0.567(13) 1 calc PR A -2
H10E H 0.1460 0.2766 0.5829 0.055 Uiso 0.567(13) 1 calc PR A -2
C13 C 0.1235(4) 0.3328(4) 0.7286(3) 0.028(3) Uiso 0.494(11) 1 d PD A -3
H13A H 0.0940 0.3354 0.7582 0.033 Uiso 0.494(11) 1 calc PR A -3
H13B H 0.1309 0.2936 0.7218 0.033 Uiso 0.494(11) 1 calc PR A -3
C16 C 0.1804(4) 0.3593(5) 0.7552(5) 0.032(3) Uiso 0.494(11) 1 d PD A -3
H16A H 0.2114 0.3527 0.7287 0.048 Uiso 0.494(11) 1 calc PR A -3
H16B H 0.1916 0.3433 0.7945 0.048 Uiso 0.494(11) 1 calc PR A -3
H16C H 0.1745 0.3987 0.7594 0.048 Uiso 0.494(11) 1 calc PR A -3
C103 C 0.0875(5) 0.3548(6) 0.73908(15) 0.047(4) Uiso 0.506(11) 1 d PD A -4
H10F H 0.0506 0.3727 0.7483 0.057 Uiso 0.506(11) 1 calc PR A -4
H10G H 0.0824 0.3153 0.7462 0.057 Uiso 0.506(11) 1 calc PR A -4
C106 C 0.1349(5) 0.3748(6) 0.7863(5) 0.044(4) Uiso 0.506(11) 1 d PD A -4
H10H H 0.1707 0.3535 0.7833 0.066 Uiso 0.506(11) 1 calc PR A -4
H10I H 0.1214 0.3701 0.8263 0.066 Uiso 0.506(11) 1 calc PR A -4
H10J H 0.1430 0.4135 0.7796 0.066 Uiso 0.506(11) 1 calc PR A -4
C14 C 0.0550(3) 0.4645(4) 0.6988(4) 0.089(4) Uani 1 1 d D . .
H14A H 0.0150 0.4535 0.6856 0.134 Uiso 1 1 calc R A .
H14B H 0.0584 0.5044 0.6963 0.134 Uiso 1 1 calc R . .
H14C H 0.0644 0.4529 0.7403 0.134 Uiso 1 1 calc R . .
C21 C -0.0298(2) 0.1120(2) 0.6598(3) 0.0275(13) Uani 1 1 d . . .
H21A H -0.0040 0.1101 0.6267 0.033 Uiso 1 1 calc R . .
H21B H -0.0070 0.1287 0.6945 0.033 Uiso 1 1 calc R . .
C22 C -0.1325(2) 0.1593(2) 0.7030(2) 0.0227(12) Uani 1 1 d . . .
H22A H -0.1474 0.1222 0.7105 0.027 Uiso 1 1 calc R . .
H22B H -0.1061 0.1701 0.7381 0.027 Uiso 1 1 calc R . .
C23 C -0.1373(2) 0.1184(2) 0.5818(2) 0.0206(11) Uani 1 1 d . . .
H23A H -0.1505 0.0844 0.6005 0.025 Uiso 1 1 calc R . .
H23B H -0.1724 0.1403 0.5690 0.025 Uiso 1 1 calc R . .
C24 C -0.0457(3) 0.0537(3) 0.6766(4) 0.0486(19) Uani 1 1 d . . .
H24A H -0.0711 0.0546 0.7096 0.073 Uiso 1 1 calc R . .
H24B H -0.0100 0.0333 0.6891 0.073 Uiso 1 1 calc R . .
H24C H -0.0663 0.0357 0.6420 0.073 Uiso 1 1 calc R . .
C25 C -0.1838(3) 0.1988(3) 0.6965(3) 0.0350(15) Uani 1 1 d . . .
H25A H -0.1694 0.2358 0.6898 0.053 Uiso 1 1 calc R . .
H25B H -0.2043 0.1983 0.7331 0.053 Uiso 1 1 calc R . .
H25C H -0.2108 0.1878 0.6625 0.053 Uiso 1 1 calc R . .
C26 C -0.1049(3) 0.1036(2) 0.5265(3) 0.0317(14) Uani 1 1 d . . .
H26A H -0.0901 0.1369 0.5090 0.048 Uiso 1 1 calc R . .
H26B H -0.1319 0.0851 0.4970 0.048 Uiso 1 1 calc R . .
H26C H -0.0721 0.0792 0.5385 0.048 Uiso 1 1 calc R . .
C31 C -0.1800(3) 0.3619(2) 0.4137(2) 0.0248(12) Uani 1 1 d . . .
H31A H -0.1955 0.3242 0.4145 0.030 Uiso 1 1 calc R . .
H31B H -0.2118 0.3858 0.3962 0.030 Uiso 1 1 calc R . .
C32 C -0.1408(2) 0.4562(2) 0.4837(2) 0.0185(10) Uani 1 1 d . . .
H32A H -0.1336 0.4716 0.5244 0.022 Uiso 1 1 calc R . .
H32B H -0.1038 0.4589 0.4642 0.022 Uiso 1 1 calc R . .
C33 C -0.2296(2) 0.3844(2) 0.5220(2) 0.0239(12) Uani 1 1 d . . .
H33A H -0.2564 0.4088 0.4975 0.029 Uiso 1 1 calc R . .
H33B H -0.2462 0.3471 0.5189 0.029 Uiso 1 1 calc R . .
C34 C -0.1298(3) 0.3633(3) 0.3739(3) 0.0394(16) Uani 1 1 d . . .
H34A H -0.1166 0.4011 0.3698 0.059 Uiso 1 1 calc R . .
H34B H -0.1429 0.3487 0.3344 0.059 Uiso 1 1 calc R . .
H34C H -0.0975 0.3411 0.3918 0.059 Uiso 1 1 calc R . .
C35 C -0.1868(2) 0.4918(2) 0.4485(2) 0.0238(12) Uani 1 1 d . . .
H35A H -0.1874 0.4832 0.4059 0.036 Uiso 1 1 calc R . .
H35B H -0.1769 0.5304 0.4549 0.036 Uiso 1 1 calc R . .
H35C H -0.2253 0.4845 0.4625 0.036 Uiso 1 1 calc R . .
C36 C -0.2282(3) 0.4026(3) 0.5863(3) 0.0367(15) Uani 1 1 d . . .
H36A H -0.2026 0.3783 0.6114 0.055 Uiso 1 1 calc R . .
H36B H -0.2678 0.4013 0.5995 0.055 Uiso 1 1 calc R . .
H36C H -0.2133 0.4401 0.5899 0.055 Uiso 1 1 calc R . .
C41 C -0.1649(2) 0.2087(2) 0.3432(2) 0.0218(11) Uani 1 1 d . . .
H41A H -0.1658 0.2464 0.3274 0.026 Uiso 1 1 calc R . .
H41B H -0.1993 0.1891 0.3242 0.026 Uiso 1 1 calc R . .
C42 C -0.1150(2) 0.1017(2) 0.3261(2) 0.0211(11) Uani 1 1 d . . .
H42A H -0.1146 0.0904 0.3685 0.025 Uiso 1 1 calc R . .
H42B H -0.1548 0.0951 0.3069 0.025 Uiso 1 1 calc R . .
C43 C -0.0982(2) 0.1890(2) 0.2423(2) 0.0229(11) Uani 1 1 d . . .
H43A H -0.0944 0.2290 0.2368 0.027 Uiso 1 1 calc R . .
H43B H -0.0633 0.1716 0.2274 0.027 Uiso 1 1 calc R . .
C44 C -0.1693(2) 0.2106(2) 0.4103(3) 0.0261(12) Uani 1 1 d . . .
H44A H -0.1643 0.1737 0.4269 0.039 Uiso 1 1 calc R . .
H44B H -0.2077 0.2249 0.4185 0.039 Uiso 1 1 calc R . .
H44C H -0.1386 0.2345 0.4287 0.039 Uiso 1 1 calc R . .
C45 C -0.0710(3) 0.0668(2) 0.2949(3) 0.0278(13) Uani 1 1 d . . .
H45A H -0.0767 0.0727 0.2517 0.042 Uiso 1 1 calc R . .
H45B H -0.0771 0.0282 0.3038 0.042 Uiso 1 1 calc R . .
H45C H -0.0312 0.0774 0.3094 0.042 Uiso 1 1 calc R . .
C46 C -0.1525(3) 0.1691(2) 0.2042(2) 0.0302(13) Uani 1 1 d . . .
H46A H -0.1564 0.1295 0.2087 0.045 Uiso 1 1 calc R . .
H46B H -0.1486 0.1779 0.1621 0.045 Uiso 1 1 calc R . .
H46C H -0.1873 0.1873 0.2173 0.045 Uiso 1 1 calc R . .
C51 C 0.1564(2) 0.3916(2) 0.4254(2) 0.0229(11) Uani 1 1 d . . .
H51A H 0.1401 0.4001 0.4638 0.027 Uiso 1 1 calc R . .
H51B H 0.1874 0.3638 0.4337 0.027 Uiso 1 1 calc R . .
C52 C 0.1301(2) 0.3606(2) 0.3024(2) 0.0256(12) Uani 1 1 d . . .
H52A H 0.1001 0.3473 0.2715 0.031 Uiso 1 1 calc R . .
H52B H 0.1411 0.3981 0.2915 0.031 Uiso 1 1 calc R . .
C53 C 0.0435(3) 0.4153(2) 0.3652(3) 0.0369(16) Uani 1 1 d . . .
H53A H 0.0615 0.4489 0.3506 0.044 Uiso 1 1 calc R . .
H53B H 0.0126 0.4035 0.3345 0.044 Uiso 1 1 calc R . .
C54 C 0.1844(2) 0.4436(2) 0.4024(2) 0.0253(12) Uani 1 1 d . . .
H54A H 0.2058 0.4346 0.3677 0.038 Uiso 1 1 calc R . .
H54B H 0.2115 0.4590 0.4341 0.038 Uiso 1 1 calc R . .
H54C H 0.1538 0.4703 0.3907 0.038 Uiso 1 1 calc R . .
C55 C 0.1839(3) 0.3237(3) 0.3031(3) 0.0347(15) Uani 1 1 d . . .
H55A H 0.2148 0.3383 0.3314 0.052 Uiso 1 1 calc R . .
H55B H 0.1977 0.3225 0.2630 0.052 Uiso 1 1 calc R . .
H55C H 0.1735 0.2868 0.3154 0.052 Uiso 1 1 calc R . .
C56 C 0.0156(3) 0.4282(3) 0.4234(4) 0.052(2) Uani 1 1 d . . .
H56A H 0.0006 0.3945 0.4400 0.078 Uiso 1 1 calc R . .
H56B H -0.0166 0.4541 0.4151 0.078 Uiso 1 1 calc R . .
H56C H 0.0451 0.4443 0.4523 0.078 Uiso 1 1 calc R . .
C61 C 0.0955(3) 0.0643(2) 0.5407(2) 0.0258(12) Uani 1 1 d . . .
H61A H 0.0662 0.0784 0.5667 0.031 Uiso 1 1 calc R . .
H61B H 0.0740 0.0451 0.5068 0.031 Uiso 1 1 calc R . .
C62 C 0.1772(2) 0.1505(2) 0.5755(2) 0.0273(13) Uani 1 1 d . . .
H62A H 0.2051 0.1225 0.5919 0.033 Uiso 1 1 calc R . .
H62B H 0.2000 0.1820 0.5624 0.033 Uiso 1 1 calc R . .
C63 C 0.1876(2) 0.0921(2) 0.4658(3) 0.0272(13) Uani 1 1 d . . .
H63A H 0.2093 0.1218 0.4474 0.033 Uiso 1 1 calc R . .
H63B H 0.2160 0.0709 0.4921 0.033 Uiso 1 1 calc R . .
C64 C 0.1339(3) 0.0221(2) 0.5766(3) 0.0362(15) Uani 1 1 d . . .
H64A H 0.1638 0.0082 0.5518 0.054 Uiso 1 1 calc R . .
H64B H 0.1095 -0.0082 0.5884 0.054 Uiso 1 1 calc R . .
H64C H 0.1529 0.0396 0.6124 0.054 Uiso 1 1 calc R . .
C65 C 0.1389(3) 0.1694(3) 0.6249(3) 0.054(2) Uani 1 1 d . . .
H65A H 0.1079 0.1935 0.6076 0.081 Uiso 1 1 calc R . .
H65B H 0.1631 0.1891 0.6559 0.081 Uiso 1 1 calc R . .
H65C H 0.1213 0.1374 0.6427 0.081 Uiso 1 1 calc R . .
C66 C 0.1605(3) 0.0542(3) 0.4158(3) 0.0387(16) Uani 1 1 d . . .
H66A H 0.1395 0.0244 0.4336 0.058 Uiso 1 1 calc R . .
H66B H 0.1916 0.0392 0.3933 0.058 Uiso 1 1 calc R . .
H66C H 0.1332 0.0752 0.3888 0.058 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Tl 0.02078(11) 0.01777(10) 0.01826(10) 0.00035(7) 0.00632(8) 0.00235(8)
Pt1 0.01511(10) 0.01343(9) 0.01759(10) 0.00093(7) -0.00370(7) -0.00151(7)
Pt2 0.01200(9) 0.01242(9) 0.01469(9) 0.00195(7) 0.00002(7) -0.00013(7)
Pt3 0.01353(9) 0.01147(9) 0.01555(9) 0.00092(7) -0.00168(7) 0.00036(7)
Pt4 0.01169(9) 0.01259(9) 0.01580(9) 0.00095(7) 0.00033(7) -0.00045(7)
Pt5 0.01249(9) 0.01131(9) 0.01645(9) 0.00115(7) 0.00126(7) -0.00035(7)
Pt6 0.01306(9) 0.01111(9) 0.01598(9) 0.00042(7) -0.00034(7) 0.00106(7)
P1 0.0255(8) 0.0196(8) 0.0540(10) -0.0041(7) -0.0229(7) -0.0004(6)
P2 0.0155(6) 0.0149(6) 0.0205(7) 0.0046(5) -0.0014(5) -0.0023(5)
P3 0.0151(6) 0.0119(6) 0.0160(6) 0.0007(5) -0.0013(5) 0.0016(5)
P4 0.0139(6) 0.0164(6) 0.0160(6) 0.0012(5) -0.0008(5) -0.0017(5)
P5 0.0153(6) 0.0136(6) 0.0216(7) 0.0023(5) 0.0000(5) -0.0029(5)
P6 0.0172(7) 0.0129(6) 0.0183(6) -0.0012(5) -0.0011(5) 0.0030(5)
P7 0.0197(7) 0.0212(7) 0.0244(7) -0.0008(6) 0.0009(6) -0.0010(6)
F1 0.085(3) 0.046(3) 0.042(2) -0.0187(19) 0.011(2) 0.008(2)
F2 0.056(2) 0.039(2) 0.040(2) 0.0141(17) 0.0068(19) 0.0185(19)
F3 0.021(2) 0.074(3) 0.078(3) -0.011(2) 0.004(2) -0.0110(19)
F4 0.081(3) 0.043(2) 0.033(2) -0.0133(18) -0.013(2) 0.018(2)
F5 0.055(3) 0.031(2) 0.055(2) 0.0170(18) 0.024(2) 0.0074(18)
F6 0.0202(19) 0.050(3) 0.105(4) 0.024(2) 0.006(2) -0.0032(18)
O1 0.026(2) 0.029(2) 0.026(2) 0.0123(17) -0.0067(17) -0.0034(17)
O2 0.017(2) 0.0209(19) 0.029(2) 0.0042(16) -0.0032(16) 0.0001(15)
O3 0.045(3) 0.015(2) 0.073(3) 0.009(2) -0.038(2) -0.0111(19)
O4 0.027(2) 0.0198(19) 0.0225(19) 0.0053(16) -0.0050(16) -0.0005(16)
O5 0.0131(19) 0.027(2) 0.038(2) 0.0065(17) -0.0022(16) -0.0005(16)
O6 0.025(2) 0.017(2) 0.032(2) 0.0044(16) -0.0049(17) -0.0018(16)
C1 0.013(2) 0.019(3) 0.019(3) -0.004(2) 0.002(2) -0.004(2)
C2 0.017(3) 0.016(3) 0.016(2) 0.0012(19) 0.0005(19) 0.003(2)
C3 0.017(3) 0.024(3) 0.032(3) 0.002(2) -0.009(2) -0.002(2)
C4 0.013(2) 0.021(3) 0.017(2) -0.002(2) 0.0034(19) -0.001(2)
C5 0.021(3) 0.014(2) 0.019(3) 0.001(2) 0.003(2) 0.003(2)
C6 0.013(2) 0.021(3) 0.019(3) 0.000(2) 0.0014(19) -0.001(2)
C11 0.033(3) 0.025(3) 0.041(4) 0.000(3) -0.013(3) -0.011(3)
C14 0.053(5) 0.076(6) 0.131(9) -0.076(6) -0.038(5) 0.032(5)
C21 0.020(3) 0.024(3) 0.038(3) 0.013(2) -0.002(2) 0.000(2)
C22 0.027(3) 0.027(3) 0.014(2) 0.002(2) 0.002(2) -0.014(2)
C23 0.022(3) 0.017(3) 0.023(3) -0.001(2) -0.001(2) -0.004(2)
C24 0.032(4) 0.028(4) 0.083(5) 0.022(4) -0.015(4) 0.002(3)
C25 0.026(3) 0.055(4) 0.025(3) -0.005(3) 0.011(3) -0.007(3)
C26 0.043(4) 0.019(3) 0.033(3) -0.005(2) 0.008(3) -0.006(3)
C31 0.037(3) 0.013(3) 0.022(3) -0.001(2) -0.010(2) 0.008(2)
C32 0.020(3) 0.015(3) 0.020(3) 0.000(2) 0.003(2) 0.002(2)
C33 0.017(3) 0.022(3) 0.033(3) 0.004(2) 0.004(2) -0.001(2)
C34 0.051(4) 0.045(4) 0.022(3) -0.005(3) 0.005(3) 0.010(3)
C35 0.031(3) 0.012(2) 0.028(3) 0.005(2) -0.003(2) -0.001(2)
C36 0.039(4) 0.032(3) 0.042(4) -0.002(3) 0.020(3) -0.002(3)
C41 0.016(3) 0.020(3) 0.029(3) 0.000(2) -0.003(2) 0.003(2)
C42 0.022(3) 0.017(3) 0.023(3) 0.001(2) -0.001(2) -0.004(2)
C43 0.027(3) 0.022(3) 0.019(3) 0.004(2) -0.001(2) -0.004(2)
C44 0.020(3) 0.023(3) 0.036(3) -0.002(2) 0.007(2) 0.002(2)
C45 0.030(3) 0.021(3) 0.032(3) -0.005(2) -0.003(2) 0.000(2)
C46 0.035(3) 0.034(3) 0.020(3) 0.003(2) -0.008(2) -0.010(3)
C51 0.026(3) 0.024(3) 0.019(3) 0.001(2) 0.002(2) -0.002(2)
C52 0.031(3) 0.030(3) 0.015(3) -0.003(2) 0.004(2) -0.015(2)
C53 0.020(3) 0.017(3) 0.073(5) 0.013(3) -0.001(3) -0.006(2)
C54 0.029(3) 0.021(3) 0.026(3) -0.004(2) 0.000(2) -0.005(2)
C55 0.028(3) 0.040(4) 0.038(4) -0.015(3) 0.012(3) -0.007(3)
C56 0.037(4) 0.022(3) 0.102(6) -0.001(4) 0.033(4) -0.001(3)
C61 0.032(3) 0.021(3) 0.025(3) 0.005(2) 0.003(2) -0.002(2)
C62 0.029(3) 0.019(3) 0.032(3) -0.004(2) -0.014(2) 0.008(2)
C63 0.021(3) 0.024(3) 0.036(3) 0.003(2) 0.003(2) 0.015(2)
C64 0.053(4) 0.020(3) 0.033(3) 0.010(3) -0.008(3) -0.002(3)
C65 0.068(5) 0.063(5) 0.028(3) -0.021(3) -0.014(3) 0.027(4)
C66 0.048(4) 0.043(4) 0.026(3) -0.006(3) 0.009(3) 0.015(3)

_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 Pt5 2.8805(3) . ?
Tl Pt6 2.9050(3) . ?
Tl Pt2 2.9052(3) . ?
Tl Pt3 2.9518(3) . ?
Tl Pt1 2.9836(3) . ?
Tl Pt4 3.1273(3) . ?
Pt1 C1 2.071(5) . ?
Pt1 C3 2.074(5) . ?
Pt1 P1 2.2739(14) . ?
Pt1 Pt2 2.6642(3) . ?
Pt1 Pt3 2.6704(3) . ?
Pt2 C1 2.065(5) . ?
Pt2 C2 2.067(5) . ?
Pt2 P2 2.2754(13) . ?
Pt2 Pt3 2.6644(3) . ?
Pt3 C3 2.080(5) . ?
Pt3 C2 2.087(5) . ?
Pt3 P3 2.2790(12) . ?
Pt4 C4 2.056(5) . ?
Pt4 C6 2.058(5) . ?
Pt4 P4 2.2756(13) . ?
Pt4 Pt6 2.6611(3) . ?
Pt4 Pt5 2.6696(3) . ?
Pt5 C5 2.071(5) . ?
Pt5 C4 2.089(5) . ?
Pt5 P5 2.2732(13) . ?
Pt5 Pt6 2.6620(3) . ?
Pt6 C6 2.087(5) . ?
Pt6 C5 2.097(5) . ?
Pt6 P6 2.2714(13) . ?
P1 C13 1.831(2) . ?
P1 C11 1.8319(19) . ?
P1 C12 1.832(2) . ?
P1 C103 1.839(2) . ?
P1 C102 1.840(2) . ?
P2 C21 1.824(5) . ?
P2 C22 1.828(5) . ?
P2 C23 1.836(5) . ?
P3 C33 1.819(5) . ?
P3 C32 1.826(5) . ?
P3 C31 1.829(5) . ?
P4 C41 1.831(5) . ?
P4 C42 1.833(5) . ?
P4 C43 1.834(5) . ?
P5 C51 1.819(5) . ?
P5 C53 1.820(6) . ?
P5 C52 1.832(5) . ?
P6 C61 1.816(5) . ?
P6 C63 1.832(5) . ?
P6 C62 1.832(5) . ?
P7 F3 1.580(4) . ?
P7 F6 1.588(4) . ?
P7 F1 1.591(4) . ?
P7 F2 1.595(4) . ?
P7 F4 1.601(4) . ?
P7 F5 1.605(4) . ?
O1 C1 1.176(6) . ?
O2 C2 1.168(6) . ?
O3 C3 1.160(7) . ?
O4 C4 1.172(6) . ?
O5 C5 1.168(6) . ?
O6 C6 1.177(6) . ?
C11 C14 1.533(2) . ?
C12 C15 1.534(2) . ?
C102 C105 1.535(2) . ?
C13 C16 1.534(2) . ?
C103 C106 1.536(2) . ?
C21 C24 1.529(8) . ?
C22 C25 1.521(8) . ?
C23 C26 1.542(7) . ?
C31 C34 1.516(8) . ?
C32 C35 1.534(7) . ?
C33 C36 1.510(8) . ?
C41 C44 1.518(7) . ?
C42 C45 1.535(7) . ?
C43 C46 1.534(7) . ?
C51 C54 1.535(7) . ?
C52 C55 1.528(8) . ?
C53 C56 1.535(10) . ?
C61 C64 1.541(8) . ?
C62 C65 1.542(9) . ?
C63 C66 1.546(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
Pt5 Tl Pt6 54.786(7) . . ?
Pt5 Tl Pt2 177.190(9) . . ?
Pt6 Tl Pt2 123.094(9) . . ?
Pt5 Tl Pt3 128.203(9) . . ?
Pt6 Tl Pt3 173.968(9) . . ?
Pt2 Tl Pt3 54.113(6) . . ?
Pt5 Tl Pt1 125.612(9) . . ?
Pt6 Tl Pt1 130.460(9) . . ?
Pt2 Tl Pt1 53.778(7) . . ?
Pt3 Tl Pt1 53.473(6) . . ?
Pt5 Tl Pt4 52.568(6) . . ?
Pt6 Tl Pt4 52.193(6) . . ?
Pt2 Tl Pt4 128.241(9) . . ?
Pt3 Tl Pt4 124.178(8) . . ?
Pt1 Tl Pt4 176.123(9) . . ?
C1 Pt1 C3 156.5(2) . . ?
C1 Pt1 P1 98.58(14) . . ?
C3 Pt1 P1 101.26(15) . . ?
C1 Pt1 Pt2 49.80(13) . . ?
C3 Pt1 Pt2 109.63(15) . . ?
P1 Pt1 Pt2 148.39(4) . . ?
C1 Pt1 Pt3 109.44(13) . . ?
C3 Pt1 Pt3 50.09(15) . . ?
P1 Pt1 Pt3 151.34(4) . . ?
Pt2 Pt1 Pt3 59.929(7) . . ?
C1 Pt1 Tl 87.92(13) . . ?
C3 Pt1 Tl 90.57(16) . . ?
P1 Pt1 Tl 125.97(5) . . ?
Pt2 Pt1 Tl 61.607(7) . . ?
Pt3 Pt1 Tl 62.654(7) . . ?
C1 Pt2 C2 157.2(2) . . ?
C1 Pt2 P2 99.39(14) . . ?
C2 Pt2 P2 99.58(14) . . ?
C1 Pt2 Pt1 50.00(14) . . ?
C2 Pt2 Pt1 110.22(14) . . ?
P2 Pt2 Pt1 149.39(3) . . ?
C1 Pt2 Pt3 109.86(14) . . ?
C2 Pt2 Pt3 50.44(14) . . ?
P2 Pt2 Pt3 150.02(3) . . ?
Pt1 Pt2 Pt3 60.151(8) . . ?
C1 Pt2 Tl 90.18(14) . . ?
C2 Pt2 Tl 89.60(14) . . ?
P2 Pt2 Tl 124.01(4) . . ?
Pt1 Pt2 Tl 64.615(7) . . ?
Pt3 Pt2 Tl 63.836(7) . . ?
C3 Pt3 C2 155.9(2) . . ?
C3 Pt3 P3 100.91(15) . . ?
C2 Pt3 P3 98.77(14) . . ?
C3 Pt3 Pt2 109.42(15) . . ?
C2 Pt3 Pt2 49.78(13) . . ?
P3 Pt3 Pt2 148.53(3) . . ?
C3 Pt3 Pt1 49.89(15) . . ?
C2 Pt3 Pt1 109.33(13) . . ?
P3 Pt3 Pt1 150.78(3) . . ?
Pt2 Pt3 Pt1 59.920(7) . . ?
C3 Pt3 Tl 91.33(16) . . ?
C2 Pt3 Tl 87.96(13) . . ?
P3 Pt3 Tl 126.65(3) . . ?
Pt2 Pt3 Tl 62.051(7) . . ?
Pt1 Pt3 Tl 63.873(8) . . ?
C4 Pt4 C6 159.57(19) . . ?
C4 Pt4 P4 97.01(14) . . ?
C6 Pt4 P4 101.75(14) . . ?
C4 Pt4 Pt6 110.24(14) . . ?
C6 Pt4 Pt6 50.53(14) . . ?
P4 Pt4 Pt6 152.25(3) . . ?
C4 Pt4 Pt5 50.46(14) . . ?
C6 Pt4 Pt5 110.34(14) . . ?
P4 Pt4 Pt5 147.45(3) . . ?
Pt6 Pt4 Pt5 59.917(7) . . ?
C4 Pt4 Tl 86.67(14) . . ?
C6 Pt4 Tl 87.58(14) . . ?
P4 Pt4 Tl 129.62(3) . . ?
Pt6 Pt4 Tl 59.601(7) . . ?
Pt5 Pt4 Tl 58.961(6) . . ?
C5 Pt5 C4 155.30(19) . . ?
C5 Pt5 P5 102.39(14) . . ?
C4 Pt5 P5 97.11(14) . . ?
C5 Pt5 Pt6 50.73(14) . . ?
C4 Pt5 Pt6 109.12(14) . . ?
P5 Pt5 Pt6 153.09(3) . . ?
C5 Pt5 Pt4 109.59(14) . . ?
C4 Pt5 Pt4 49.37(14) . . ?
P5 Pt5 Pt4 146.44(3) . . ?
Pt6 Pt5 Pt4 59.882(7) . . ?
C5 Pt5 Tl 89.20(14) . . ?
C4 Pt5 Tl 92.85(13) . . ?
P5 Pt5 Tl 122.89(3) . . ?
Pt6 Pt5 Tl 63.076(7) . . ?
Pt4 Pt5 Tl 68.471(7) . . ?
C6 Pt6 C5 155.25(19) . . ?
C6 Pt6 P6 100.38(14) . . ?
C5 Pt6 P6 99.05(14) . . ?
C6 Pt6 Pt4 49.57(14) . . ?
C5 Pt6 Pt4 109.08(14) . . ?
P6 Pt6 Pt4 149.73(3) . . ?
C6 Pt6 Pt5 109.67(14) . . ?
C5 Pt6 Pt5 49.88(14) . . ?
P6 Pt6 Pt5 148.93(3) . . ?
Pt4 Pt6 Pt5 60.201(7) . . ?
C6 Pt6 Tl 93.20(14) . . ?
C5 Pt6 Tl 88.05(13) . . ?
P6 Pt6 Tl 125.07(3) . . ?
Pt4 Pt6 Tl 68.206(8) . . ?
Pt5 Pt6 Tl 62.138(7) . . ?
C13 P1 C11 112.3(4) . . ?
C13 P1 C12 65.4(5) . . ?
C11 P1 C12 115.1(5) . . ?
C13 P1 C103 32.6(5) . . ?
C11 P1 C103 96.5(5) . . ?
C12 P1 C103 97.8(6) . . ?
C13 P1 C102 102.6(5) . . ?
C11 P1 C102 91.5(3) . . ?
C12 P1 C102 38.9(4) . . ?
C103 P1 C102 133.3(6) . . ?
C13 P1 Pt1 117.4(3) . . ?
C11 P1 Pt1 117.04(19) . . ?
C12 P1 Pt1 119.3(5) . . ?
C103 P1 Pt1 105.0(4) . . ?
C102 P1 Pt1 111.9(4) . . ?
C21 P2 C22 103.5(3) . . ?
C21 P2 C23 105.3(3) . . ?
C22 P2 C23 104.3(2) . . ?
C21 P2 Pt2 115.06(18) . . ?
C22 P2 Pt2 112.90(18) . . ?
C23 P2 Pt2 114.57(17) . . ?
C33 P3 C32 104.2(2) . . ?
C33 P3 C31 101.4(3) . . ?
C32 P3 C31 104.7(2) . . ?
C33 P3 Pt3 111.95(18) . . ?
C32 P3 Pt3 114.72(17) . . ?
C31 P3 Pt3 118.14(17) . . ?
C41 P4 C42 104.5(2) . . ?
C41 P4 C43 103.5(3) . . ?
C42 P4 C43 104.3(2) . . ?
C41 P4 Pt4 113.91(18) . . ?
C42 P4 Pt4 115.11(18) . . ?
C43 P4 Pt4 114.29(18) . . ?
C51 P5 C53 104.7(3) . . ?
C51 P5 C52 104.1(2) . . ?
C53 P5 C52 103.3(3) . . ?
C51 P5 Pt5 116.34(18) . . ?
C53 P5 Pt5 115.26(19) . . ?
C52 P5 Pt5 111.72(19) . . ?
C61 P6 C63 104.9(3) . . ?
C61 P6 C62 104.7(3) . . ?
C63 P6 C62 103.5(3) . . ?
C61 P6 Pt6 116.14(19) . . ?
C63 P6 Pt6 109.65(19) . . ?
C62 P6 Pt6 116.64(18) . . ?
F3 P7 F6 179.4(3) . . ?
F3 P7 F1 90.0(3) . . ?
F6 P7 F1 90.2(3) . . ?
F3 P7 F2 90.4(2) . . ?
F6 P7 F2 90.2(2) . . ?
F1 P7 F2 90.3(2) . . ?
F3 P7 F4 88.5(2) . . ?
F6 P7 F4 91.3(3) . . ?
F1 P7 F4 178.5(3) . . ?
F2 P7 F4 90.0(2) . . ?
F3 P7 F5 90.5(2) . . ?
F6 P7 F5 88.9(2) . . ?
F1 P7 F5 90.0(2) . . ?
F2 P7 F5 179.1(2) . . ?
F4 P7 F5 89.7(2) . . ?
O1 C1 Pt2 140.4(4) . . ?
O1 C1 Pt1 139.1(4) . . ?
Pt2 C1 Pt1 80.20(18) . . ?
O2 C2 Pt2 140.7(4) . . ?
O2 C2 Pt3 138.9(4) . . ?
Pt2 C2 Pt3 79.78(18) . . ?
O3 C3 Pt1 139.9(4) . . ?
O3 C3 Pt3 139.6(4) . . ?
Pt1 C3 Pt3 80.0(2) . . ?
O4 C4 Pt4 141.2(4) . . ?
O4 C4 Pt5 138.5(4) . . ?
Pt4 C4 Pt5 80.17(18) . . ?
O5 C5 Pt5 140.7(4) . . ?
O5 C5 Pt6 138.4(4) . . ?
Pt5 C5 Pt6 79.39(18) . . ?
O6 C6 Pt4 142.1(4) . . ?
O6 C6 Pt6 137.8(4) . . ?
Pt4 C6 Pt6 79.89(18) . . ?
C14 C11 P1 112.8(4) . . ?
C15 C12 P1 100.2(7) . . ?
C105 C102 P1 119.2(6) . . ?
C16 C13 P1 114.8(6) . . ?
C106 C103 P1 123.1(8) . . ?
C24 C21 P2 116.2(4) . . ?
C25 C22 P2 113.3(4) . . ?
C26 C23 P2 112.0(4) . . ?
C34 C31 P3 113.3(4) . . ?
C35 C32 P3 116.0(4) . . ?
C36 C33 P3 115.3(4) . . ?
C44 C41 P4 113.0(4) . . ?
C45 C42 P4 112.0(4) . . ?
C46 C43 P4 114.8(4) . . ?
C54 C51 P5 115.0(4) . . ?
C55 C52 P5 112.3(4) . . ?
C56 C53 P5 112.5(5) . . ?
C64 C61 P6 116.5(4) . . ?
C65 C62 P6 111.8(4) . . ?
C66 C63 P6 113.1(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt5 Tl Pt1 C1 -132.22(14) . . . . ?
Pt6 Tl Pt1 C1 -60.96(14) . . . . ?
Pt2 Tl Pt1 C1 44.39(14) . . . . ?
Pt3 Tl Pt1 C1 113.19(14) . . . . ?
Pt4 Tl Pt1 C1 167.02(18) . . . . ?
Pt5 Tl Pt1 C3 71.27(15) . . . . ?
Pt6 Tl Pt1 C3 142.52(15) . . . . ?
Pt2 Tl Pt1 C3 -112.12(15) . . . . ?
Pt3 Tl Pt1 C3 -43.33(15) . . . . ?
Pt4 Tl Pt1 C3 10.5(2) . . . . ?
Pt5 Tl Pt1 P1 -33.12(5) . . . . ?
Pt6 Tl Pt1 P1 38.14(5) . . . . ?
Pt2 Tl Pt1 P1 143.50(5) . . . . ?
Pt3 Tl Pt1 P1 -147.71(5) . . . . ?
Pt4 Tl Pt1 P1 -93.87(14) . . . . ?
Pt5 Tl Pt1 Pt2 -176.613(11) . . . . ?
Pt6 Tl Pt1 Pt2 -105.357(12) . . . . ?
Pt3 Tl Pt1 Pt2 68.795(8) . . . . ?
Pt4 Tl Pt1 Pt2 122.63(13) . . . . ?
Pt5 Tl Pt1 Pt3 114.592(11) . . . . ?
Pt6 Tl Pt1 Pt3 -174.152(12) . . . . ?
Pt2 Tl Pt1 Pt3 -68.795(8) . . . . ?
Pt4 Tl Pt1 Pt3 53.84(13) . . . . ?
C3 Pt1 Pt2 C1 -166.7(2) . . . . ?
P1 Pt1 Pt2 C1 0.5(2) . . . . ?
Pt3 Pt1 Pt2 C1 -173.13(18) . . . . ?
Tl Pt1 Pt2 C1 113.75(18) . . . . ?
C1 Pt1 Pt2 C2 166.8(2) . . . . ?
C3 Pt1 Pt2 C2 0.1(2) . . . . ?
P1 Pt1 Pt2 C2 167.24(17) . . . . ?
Pt3 Pt1 Pt2 C2 -6.35(14) . . . . ?
Tl Pt1 Pt2 C2 -79.46(14) . . . . ?
C1 Pt1 Pt2 P2 0.69(19) . . . . ?
C3 Pt1 Pt2 P2 -165.97(19) . . . . ?
P1 Pt1 Pt2 P2 1.15(12) . . . . ?
Pt3 Pt1 Pt2 P2 -172.43(7) . . . . ?
Tl Pt1 Pt2 P2 114.45(7) . . . . ?
C1 Pt1 Pt2 Pt3 173.13(18) . . . . ?
C3 Pt1 Pt2 Pt3 6.46(17) . . . . ?
P1 Pt1 Pt2 Pt3 173.58(9) . . . . ?
Tl Pt1 Pt2 Pt3 -73.117(8) . . . . ?
C1 Pt1 Pt2 Tl -113.75(18) . . . . ?
C3 Pt1 Pt2 Tl 79.58(17) . . . . ?
P1 Pt1 Pt2 Tl -113.30(9) . . . . ?
Pt3 Pt1 Pt2 Tl 73.117(8) . . . . ?
Pt5 Tl Pt2 C1 33.9(2) . . . . ?
Pt6 Tl Pt2 C1 74.35(14) . . . . ?
Pt3 Tl Pt2 C1 -112.14(14) . . . . ?
Pt1 Tl Pt2 C1 -44.52(14) . . . . ?
Pt4 Tl Pt2 C1 139.64(14) . . . . ?
Pt5 Tl Pt2 C2 -168.8(2) . . . . ?
Pt6 Tl Pt2 C2 -128.44(14) . . . . ?
Pt3 Tl Pt2 C2 45.07(14) . . . . ?
Pt1 Tl Pt2 C2 112.69(14) . . . . ?
Pt4 Tl Pt2 C2 -63.15(14) . . . . ?
Pt5 Tl Pt2 P2 -67.5(2) . . . . ?
Pt6 Tl Pt2 P2 -27.13(4) . . . . ?
Pt3 Tl Pt2 P2 146.38(4) . . . . ?
Pt1 Tl Pt2 P2 -146.00(4) . . . . ?
Pt4 Tl Pt2 P2 38.16(4) . . . . ?
Pt5 Tl Pt2 Pt1 78.46(19) . . . . ?
Pt6 Tl Pt2 Pt1 118.865(11) . . . . ?
Pt3 Tl Pt2 Pt1 -67.624(8) . . . . ?
Pt4 Tl Pt2 Pt1 -175.842(11) . . . . ?
Pt5 Tl Pt2 Pt3 146.08(19) . . . . ?
Pt6 Tl Pt2 Pt3 -173.510(11) . . . . ?
Pt1 Tl Pt2 Pt3 67.624(8) . . . . ?
Pt4 Tl Pt2 Pt3 -108.218(11) . . . . ?
C1 Pt2 Pt3 C3 -0.8(2) . . . . ?
C2 Pt2 Pt3 C3 165.8(2) . . . . ?
P2 Pt2 Pt3 C3 165.86(19) . . . . ?
Pt1 Pt2 Pt3 C3 -6.43(17) . . . . ?
Tl Pt2 Pt3 C3 -80.84(17) . . . . ?
C1 Pt2 Pt3 C2 -166.7(2) . . . . ?
P2 Pt2 Pt3 C2 0.02(19) . . . . ?
Pt1 Pt2 Pt3 C2 -172.27(17) . . . . ?
Tl Pt2 Pt3 C2 113.32(17) . . . . ?
C1 Pt2 Pt3 P3 -164.68(16) . . . . ?
C2 Pt2 Pt3 P3 1.99(18) . . . . ?
P2 Pt2 Pt3 P3 2.02(10) . . . . ?
Pt1 Pt2 Pt3 P3 -170.28(6) . . . . ?
Tl Pt2 Pt3 P3 115.32(6) . . . . ?
C1 Pt2 Pt3 Pt1 5.59(15) . . . . ?
C2 Pt2 Pt3 Pt1 172.27(17) . . . . ?
P2 Pt2 Pt3 Pt1 172.29(7) . . . . ?
Tl Pt2 Pt3 Pt1 -74.409(8) . . . . ?
C1 Pt2 Pt3 Tl 80.00(15) . . . . ?
C2 Pt2 Pt3 Tl -113.32(17) . . . . ?
P2 Pt2 Pt3 Tl -113.30(7) . . . . ?
Pt1 Pt2 Pt3 Tl 74.409(8) . . . . ?
C1 Pt1 Pt3 C3 166.5(3) . . . . ?
P1 Pt1 Pt3 C3 -0.9(2) . . . . ?
Pt2 Pt1 Pt3 C3 172.1(2) . . . . ?
Tl Pt1 Pt3 C3 -116.6(2) . . . . ?
C1 Pt1 Pt3 C2 0.7(2) . . . . ?
C3 Pt1 Pt3 C2 -165.8(3) . . . . ?
P1 Pt1 Pt3 C2 -166.73(17) . . . . ?
Pt2 Pt1 Pt3 C2 6.25(14) . . . . ?
Tl Pt1 Pt3 C2 77.64(14) . . . . ?
C1 Pt1 Pt3 P3 164.03(16) . . . . ?
C3 Pt1 Pt3 P3 -2.5(2) . . . . ?
P1 Pt1 Pt3 P3 -3.39(12) . . . . ?
Pt2 Pt1 Pt3 P3 169.59(7) . . . . ?
Tl Pt1 Pt3 P3 -119.02(7) . . . . ?
C1 Pt1 Pt3 Pt2 -5.56(14) . . . . ?
C3 Pt1 Pt3 Pt2 -172.1(2) . . . . ?
P1 Pt1 Pt3 Pt2 -172.98(10) . . . . ?
Tl Pt1 Pt3 Pt2 71.387(8) . . . . ?
C1 Pt1 Pt3 Tl -76.95(14) . . . . ?
C3 Pt1 Pt3 Tl 116.6(2) . . . . ?
P1 Pt1 Pt3 Tl 115.63(10) . . . . ?
Pt2 Pt1 Pt3 Tl -71.387(8) . . . . ?
Pt5 Tl Pt3 C3 -66.65(15) . . . . ?
Pt6 Tl Pt3 C3 175.65(17) . . . . ?
Pt2 Tl Pt3 C3 111.36(15) . . . . ?
Pt1 Tl Pt3 C3 43.18(15) . . . . ?
Pt4 Tl Pt3 C3 -133.04(15) . . . . ?
Pt5 Tl Pt3 C2 137.44(13) . . . . ?
Pt6 Tl Pt3 C2 19.74(16) . . . . ?
Pt2 Tl Pt3 C2 -44.56(13) . . . . ?
Pt1 Tl Pt3 C2 -112.73(13) . . . . ?
Pt4 Tl Pt3 C2 71.05(13) . . . . ?
Pt5 Tl Pt3 P3 38.02(4) . . . . ?
Pt6 Tl Pt3 P3 -79.68(9) . . . . ?
Pt2 Tl Pt3 P3 -143.97(4) . . . . ?
Pt1 Tl Pt3 P3 147.85(4) . . . . ?
Pt4 Tl Pt3 P3 -28.36(4) . . . . ?
Pt5 Tl Pt3 Pt2 -178.005(12) . . . . ?
Pt6 Tl Pt3 Pt2 64.29(8) . . . . ?
Pt1 Tl Pt3 Pt2 -68.177(8) . . . . ?
Pt4 Tl Pt3 Pt2 115.606(11) . . . . ?
Pt5 Tl Pt3 Pt1 -109.828(12) . . . . ?
Pt6 Tl Pt3 Pt1 132.47(8) . . . . ?
Pt2 Tl Pt3 Pt1 68.177(8) . . . . ?
Pt4 Tl Pt3 Pt1 -176.216(10) . . . . ?
Pt5 Tl Pt4 C4 -44.82(13) . . . . ?
Pt6 Tl Pt4 C4 -115.85(13) . . . . ?
Pt2 Tl Pt4 C4 138.58(13) . . . . ?
Pt3 Tl Pt4 C4 70.11(13) . . . . ?
Pt1 Tl Pt4 C4 18.47(19) . . . . ?
Pt5 Tl Pt4 C6 115.56(13) . . . . ?
Pt6 Tl Pt4 C6 44.54(13) . . . . ?
Pt2 Tl Pt4 C6 -61.03(13) . . . . ?
Pt3 Tl Pt4 C6 -129.50(13) . . . . ?
Pt1 Tl Pt4 C6 179(20) . . . . ?
Pt5 Tl Pt4 P4 -141.16(4) . . . . ?
Pt6 Tl Pt4 P4 147.82(4) . . . . ?
Pt2 Tl Pt4 P4 42.24(4) . . . . ?
Pt3 Tl Pt4 P4 -26.22(4) . . . . ?
Pt1 Tl Pt4 P4 -77.87(13) . . . . ?
Pt5 Tl Pt4 Pt6 71.021(8) . . . . ?
Pt2 Tl Pt4 Pt6 -105.572(12) . . . . ?
Pt3 Tl Pt4 Pt6 -174.040(11) . . . . ?
Pt1 Tl Pt4 Pt6 134.31(13) . . . . ?
Pt6 Tl Pt4 Pt5 -71.021(8) . . . . ?
Pt2 Tl Pt4 Pt5 -176.593(11) . . . . ?
Pt3 Tl Pt4 Pt5 114.938(11) . . . . ?
Pt1 Tl Pt4 Pt5 63.29(13) . . . . ?
C4 Pt4 Pt5 C5 -164.9(2) . . . . ?
C6 Pt4 Pt5 C5 7.0(2) . . . . ?
P4 Pt4 Pt5 C5 -162.85(16) . . . . ?
Pt6 Pt4 Pt5 C5 10.51(15) . . . . ?
Tl Pt4 Pt5 C5 81.00(15) . . . . ?
C6 Pt4 Pt5 C4 171.9(2) . . . . ?
P4 Pt4 Pt5 C4 2.01(18) . . . . ?
Pt6 Pt4 Pt5 C4 175.37(17) . . . . ?
Tl Pt4 Pt5 C4 -114.13(17) . . . . ?
C4 Pt4 Pt5 P5 -3.33(18) . . . . ?
C6 Pt4 Pt5 P5 168.54(16) . . . . ?
P4 Pt4 Pt5 P5 -1.32(9) . . . . ?
Pt6 Pt4 Pt5 P5 172.04(6) . . . . ?
Tl Pt4 Pt5 P5 -117.46(6) . . . . ?
C4 Pt4 Pt5 Pt6 -175.37(17) . . . . ?
C6 Pt4 Pt5 Pt6 -3.50(15) . . . . ?
P4 Pt4 Pt5 Pt6 -173.36(6) . . . . ?
Tl Pt4 Pt5 Pt6 70.494(8) . . . . ?
C4 Pt4 Pt5 Tl 114.13(17) . . . . ?
C6 Pt4 Pt5 Tl -73.99(15) . . . . ?
P4 Pt4 Pt5 Tl 116.14(6) . . . . ?
Pt6 Pt4 Pt5 Tl -70.494(8) . . . . ?
Pt6 Tl Pt5 C5 -45.34(14) . . . . ?
Pt2 Tl Pt5 C5 -3.7(2) . . . . ?
Pt3 Tl Pt5 C5 141.20(14) . . . . ?
Pt1 Tl Pt5 C5 72.79(14) . . . . ?
Pt4 Tl Pt5 C5 -111.47(14) . . . . ?
Pt6 Tl Pt5 C4 110.04(14) . . . . ?
Pt2 Tl Pt5 C4 151.7(2) . . . . ?
Pt3 Tl Pt5 C4 -63.42(14) . . . . ?
Pt1 Tl Pt5 C4 -131.83(14) . . . . ?
Pt4 Tl Pt5 C4 43.91(14) . . . . ?
Pt6 Tl Pt5 P5 -149.61(4) . . . . ?
Pt2 Tl Pt5 P5 -107.95(19) . . . . ?
Pt3 Tl Pt5 P5 36.93(4) . . . . ?
Pt1 Tl Pt5 P5 -31.48(4) . . . . ?
Pt4 Tl Pt5 P5 144.26(4) . . . . ?
Pt2 Tl Pt5 Pt6 41.66(19) . . . . ?
Pt3 Tl Pt5 Pt6 -173.461(12) . . . . ?
Pt1 Tl Pt5 Pt6 118.130(11) . . . . ?
Pt4 Tl Pt5 Pt6 -66.131(8) . . . . ?
Pt6 Tl Pt5 Pt4 66.131(8) . . . . ?
Pt2 Tl Pt5 Pt4 107.79(19) . . . . ?
Pt3 Tl Pt5 Pt4 -107.329(11) . . . . ?
Pt1 Tl Pt5 Pt4 -175.739(11) . . . . ?
C4 Pt4 Pt6 C6 -171.9(2) . . . . ?
P4 Pt4 Pt6 C6 -3.42(19) . . . . ?
Pt5 Pt4 Pt6 C6 -175.75(18) . . . . ?
Tl Pt4 Pt6 C6 114.80(18) . . . . ?
C4 Pt4 Pt6 C5 -6.5(2) . . . . ?
C6 Pt4 Pt6 C5 165.4(2) . . . . ?
P4 Pt4 Pt6 C5 161.98(16) . . . . ?
Pt5 Pt4 Pt6 C5 -10.35(14) . . . . ?
Tl Pt4 Pt6 C5 -79.80(14) . . . . ?
C4 Pt4 Pt6 P6 -163.90(16) . . . . ?
C6 Pt4 Pt6 P6 8.05(19) . . . . ?
P4 Pt4 Pt6 P6 4.63(10) . . . . ?
Pt5 Pt4 Pt6 P6 -167.70(7) . . . . ?
Tl Pt4 Pt6 P6 122.85(7) . . . . ?
C4 Pt4 Pt6 Pt5 3.80(14) . . . . ?
C6 Pt4 Pt6 Pt5 175.75(18) . . . . ?
P4 Pt4 Pt6 Pt5 172.32(7) . . . . ?
Tl Pt4 Pt6 Pt5 -69.450(8) . . . . ?
C4 Pt4 Pt6 Tl 73.25(14) . . . . ?
C6 Pt4 Pt6 Tl -114.80(18) . . . . ?
P4 Pt4 Pt6 Tl -118.23(7) . . . . ?
Pt5 Pt4 Pt6 Tl 69.450(8) . . . . ?
C5 Pt5 Pt6 C6 -163.7(2) . . . . ?
C4 Pt5 Pt6 C6 -0.3(2) . . . . ?
P5 Pt5 Pt6 C6 -166.83(16) . . . . ?
Pt4 Pt5 Pt6 C6 3.44(14) . . . . ?
Tl Pt5 Pt6 C6 83.00(14) . . . . ?
C4 Pt5 Pt6 C5 163.5(2) . . . . ?
P5 Pt5 Pt6 C5 -3.09(19) . . . . ?
Pt4 Pt5 Pt6 C5 167.18(18) . . . . ?
Tl Pt5 Pt6 C5 -113.27(18) . . . . ?
C5 Pt5 Pt6 P6 0.81(19) . . . . ?
C4 Pt5 Pt6 P6 164.27(15) . . . . ?
P5 Pt5 Pt6 P6 -2.28(10) . . . . ?
Pt4 Pt5 Pt6 P6 167.99(7) . . . . ?
Tl Pt5 Pt6 P6 -112.45(7) . . . . ?
C5 Pt5 Pt6 Pt4 -167.18(18) . . . . ?
C4 Pt5 Pt6 Pt4 -3.72(14) . . . . ?
P5 Pt5 Pt6 Pt4 -170.27(8) . . . . ?
Tl Pt5 Pt6 Pt4 79.559(8) . . . . ?
C5 Pt5 Pt6 Tl 113.27(18) . . . . ?
C4 Pt5 Pt6 Tl -83.27(14) . . . . ?
P5 Pt5 Pt6 Tl 110.17(8) . . . . ?
Pt4 Pt5 Pt6 Tl -79.559(8) . . . . ?
Pt5 Tl Pt6 C6 -110.59(14) . . . . ?
Pt2 Tl Pt6 C6 71.64(14) . . . . ?
Pt3 Tl Pt6 C6 11.02(16) . . . . ?
Pt1 Tl Pt6 C6 139.85(14) . . . . ?
Pt4 Tl Pt6 C6 -43.80(14) . . . . ?
Pt5 Tl Pt6 C5 44.66(14) . . . . ?
Pt2 Tl Pt6 C5 -133.11(14) . . . . ?
Pt3 Tl Pt6 C5 166.28(16) . . . . ?
Pt1 Tl Pt6 C5 -64.89(14) . . . . ?
Pt4 Tl Pt6 C5 111.46(14) . . . . ?
Pt5 Tl Pt6 P6 144.36(4) . . . . ?
Pt2 Tl Pt6 P6 -33.41(4) . . . . ?
Pt3 Tl Pt6 P6 -94.03(9) . . . . ?
Pt1 Tl Pt6 P6 34.80(4) . . . . ?
Pt4 Tl Pt6 P6 -148.85(4) . . . . ?
Pt5 Tl Pt6 Pt4 -66.795(8) . . . . ?
Pt2 Tl Pt6 Pt4 115.434(11) . . . . ?
Pt3 Tl Pt6 Pt4 54.82(8) . . . . ?
Pt1 Tl Pt6 Pt4 -176.354(11) . . . . ?
Pt2 Tl Pt6 Pt5 -177.771(11) . . . . ?
Pt3 Tl Pt6 Pt5 121.62(8) . . . . ?
Pt1 Tl Pt6 Pt5 -109.559(12) . . . . ?
Pt4 Tl Pt6 Pt5 66.795(8) . . . . ?
C1 Pt1 P1 C13 -16.8(5) . . . . ?
C3 Pt1 P1 C13 150.5(5) . . . . ?
Pt2 Pt1 P1 C13 -17.1(5) . . . . ?
Pt3 Pt1 P1 C13 151.3(4) . . . . ?
Tl Pt1 P1 C13 -110.4(4) . . . . ?
C1 Pt1 P1 C11 -154.8(3) . . . . ?
C3 Pt1 P1 C11 12.5(3) . . . . ?
Pt2 Pt1 P1 C11 -155.1(2) . . . . ?
Pt3 Pt1 P1 C11 13.2(3) . . . . ?
Tl Pt1 P1 C11 111.5(2) . . . . ?
C1 Pt1 P1 C12 58.9(4) . . . . ?
C3 Pt1 P1 C12 -133.8(4) . . . . ?
Pt2 Pt1 P1 C12 58.6(4) . . . . ?
Pt3 Pt1 P1 C12 -133.1(4) . . . . ?
Tl Pt1 P1 C12 -34.8(4) . . . . ?
C1 Pt1 P1 C103 -49.2(5) . . . . ?
C3 Pt1 P1 C103 118.0(5) . . . . ?
Pt2 Pt1 P1 C103 -49.6(5) . . . . ?
Pt3 Pt1 P1 C103 118.8(5) . . . . ?
Tl Pt1 P1 C103 -142.9(5) . . . . ?
C1 Pt1 P1 C102 101.5(3) . . . . ?
C3 Pt1 P1 C102 -91.2(4) . . . . ?
Pt2 Pt1 P1 C102 101.2(3) . . . . ?
Pt3 Pt1 P1 C102 -90.4(3) . . . . ?
Tl Pt1 P1 C102 7.9(3) . . . . ?
C1 Pt2 P2 C21 -32.9(3) . . . . ?
C2 Pt2 P2 C21 159.8(3) . . . . ?
Pt1 Pt2 P2 C21 -33.4(2) . . . . ?
Pt3 Pt2 P2 C21 159.8(2) . . . . ?
Tl Pt2 P2 C21 63.8(2) . . . . ?
C1 Pt2 P2 C22 85.7(2) . . . . ?
C2 Pt2 P2 C22 -81.6(2) . . . . ?
Pt1 Pt2 P2 C22 85.1(2) . . . . ?
Pt3 Pt2 P2 C22 -81.6(2) . . . . ?
Tl Pt2 P2 C22 -177.68(19) . . . . ?
C1 Pt2 P2 C23 -155.1(2) . . . . ?
C2 Pt2 P2 C23 37.6(2) . . . . ?
Pt1 Pt2 P2 C23 -155.65(18) . . . . ?
Pt3 Pt2 P2 C23 37.6(2) . . . . ?
Tl Pt2 P2 C23 -58.5(2) . . . . ?
C3 Pt3 P3 C33 -118.7(3) . . . . ?
C2 Pt3 P3 C33 47.3(2) . . . . ?
Pt2 Pt3 P3 C33 45.8(2) . . . . ?
Pt1 Pt3 P3 C33 -116.8(2) . . . . ?
Tl Pt3 P3 C33 141.35(19) . . . . ?
C3 Pt3 P3 C32 -0.2(2) . . . . ?
C2 Pt3 P3 C32 165.9(2) . . . . ?
Pt2 Pt3 P3 C32 164.31(18) . . . . ?
Pt1 Pt3 P3 C32 1.7(2) . . . . ?
Tl Pt3 P3 C32 -100.14(18) . . . . ?
C3 Pt3 P3 C31 124.1(3) . . . . ?
C2 Pt3 P3 C31 -69.9(3) . . . . ?
Pt2 Pt3 P3 C31 -71.4(2) . . . . ?
Pt1 Pt3 P3 C31 126.0(2) . . . . ?
Tl Pt3 P3 C31 24.1(2) . . . . ?
C4 Pt4 P4 C41 -73.7(2) . . . . ?
C6 Pt4 P4 C41 114.5(2) . . . . ?
Pt6 Pt4 P4 C41 117.1(2) . . . . ?
Pt5 Pt4 P4 C41 -75.3(2) . . . . ?
Tl Pt4 P4 C41 17.8(2) . . . . ?
C4 Pt4 P4 C42 165.7(2) . . . . ?
C6 Pt4 P4 C42 -6.2(2) . . . . ?
Pt6 Pt4 P4 C42 -3.5(2) . . . . ?
Pt5 Pt4 P4 C42 164.12(19) . . . . ?
Tl Pt4 P4 C42 -102.85(19) . . . . ?
C4 Pt4 P4 C43 45.0(2) . . . . ?
C6 Pt4 P4 C43 -126.8(2) . . . . ?
Pt6 Pt4 P4 C43 -124.1(2) . . . . ?
Pt5 Pt4 P4 C43 43.5(2) . . . . ?
Tl Pt4 P4 C43 136.5(2) . . . . ?
C5 Pt5 P5 C51 -27.8(2) . . . . ?
C4 Pt5 P5 C51 167.5(2) . . . . ?
Pt6 Pt5 P5 C51 -25.3(2) . . . . ?
Pt4 Pt5 P5 C51 170.0(2) . . . . ?
Tl Pt5 P5 C51 69.4(2) . . . . ?
C5 Pt5 P5 C53 -150.9(3) . . . . ?
C4 Pt5 P5 C53 44.3(3) . . . . ?
Pt6 Pt5 P5 C53 -148.5(3) . . . . ?
Pt4 Pt5 P5 C53 46.9(3) . . . . ?
Tl Pt5 P5 C53 -53.7(3) . . . . ?
C5 Pt5 P5 C52 91.6(2) . . . . ?
C4 Pt5 P5 C52 -73.2(2) . . . . ?
Pt6 Pt5 P5 C52 94.0(2) . . . . ?
Pt4 Pt5 P5 C52 -70.6(2) . . . . ?
Tl Pt5 P5 C52 -171.2(2) . . . . ?
C6 Pt6 P6 C61 -26.4(3) . . . . ?
C5 Pt6 P6 C61 169.0(3) . . . . ?
Pt4 Pt6 P6 C61 -32.7(2) . . . . ?
Pt5 Pt6 P6 C61 168.3(2) . . . . ?
Tl Pt6 P6 C61 75.0(2) . . . . ?
C6 Pt6 P6 C63 92.2(2) . . . . ?
C5 Pt6 P6 C63 -72.4(2) . . . . ?
Pt4 Pt6 P6 C63 85.9(2) . . . . ?
Pt5 Pt6 P6 C63 -73.1(2) . . . . ?
Tl Pt6 P6 C63 -166.4(2) . . . . ?
C6 Pt6 P6 C62 -150.7(3) . . . . ?
C5 Pt6 P6 C62 44.7(3) . . . . ?
Pt4 Pt6 P6 C62 -156.9(2) . . . . ?
Pt5 Pt6 P6 C62 44.1(2) . . . . ?
Tl Pt6 P6 C62 -49.3(2) . . . . ?
C2 Pt2 C1 O1 141.1(6) . . . . ?
P2 Pt2 C1 O1 -4.9(7) . . . . ?
Pt1 Pt2 C1 O1 174.7(7) . . . . ?
Pt3 Pt2 C1 O1 168.4(6) . . . . ?
Tl Pt2 C1 O1 -129.5(6) . . . . ?
C2 Pt2 C1 Pt1 -33.6(5) . . . . ?
P2 Pt2 C1 Pt1 -179.64(10) . . . . ?
Pt3 Pt2 C1 Pt1 -6.33(16) . . . . ?
Tl Pt2 C1 Pt1 55.78(12) . . . . ?
C3 Pt1 C1 O1 -141.9(6) . . . . ?
P1 Pt1 C1 O1 5.4(6) . . . . ?
Pt2 Pt1 C1 O1 -174.8(7) . . . . ?
Pt3 Pt1 C1 O1 -168.5(6) . . . . ?
Tl Pt1 C1 O1 131.5(6) . . . . ?
C3 Pt1 C1 Pt2 33.0(6) . . . . ?
P1 Pt1 C1 Pt2 -179.76(11) . . . . ?
Pt3 Pt1 C1 Pt2 6.30(16) . . . . ?
Tl Pt1 C1 Pt2 -53.68(11) . . . . ?
C1 Pt2 C2 O2 -137.4(6) . . . . ?
P2 Pt2 C2 O2 8.6(6) . . . . ?
Pt1 Pt2 C2 O2 -164.3(6) . . . . ?
Pt3 Pt2 C2 O2 -171.4(7) . . . . ?
Tl Pt2 C2 O2 133.1(6) . . . . ?
C1 Pt2 C2 Pt3 34.0(5) . . . . ?
P2 Pt2 C2 Pt3 -179.99(9) . . . . ?
Pt1 Pt2 C2 Pt3 7.14(16) . . . . ?
Tl Pt2 C2 Pt3 -55.51(11) . . . . ?
C3 Pt3 C2 O2 137.3(6) . . . . ?
P3 Pt3 C2 O2 -7.2(6) . . . . ?
Pt2 Pt3 C2 O2 171.7(7) . . . . ?
Pt1 Pt3 C2 O2 164.7(6) . . . . ?
Tl Pt3 C2 O2 -134.0(6) . . . . ?
C3 Pt3 C2 Pt2 -34.4(6) . . . . ?
P3 Pt3 C2 Pt2 -178.95(10) . . . . ?
Pt1 Pt3 C2 Pt2 -7.09(16) . . . . ?
Tl Pt3 C2 Pt2 54.26(11) . . . . ?
C1 Pt1 C3 O3 139.2(7) . . . . ?
P1 Pt1 C3 O3 -7.8(8) . . . . ?
Pt2 Pt1 C3 O3 165.4(8) . . . . ?
Pt3 Pt1 C3 O3 172.7(9) . . . . ?
Tl Pt1 C3 O3 -134.7(8) . . . . ?
C1 Pt1 C3 Pt3 -33.5(6) . . . . ?
P1 Pt1 C3 Pt3 179.55(11) . . . . ?
Pt2 Pt1 C3 Pt3 -7.29(19) . . . . ?
Tl Pt1 C3 Pt3 52.62(14) . . . . ?
C2 Pt3 C3 O3 -138.2(7) . . . . ?
P3 Pt3 C3 O3 6.1(8) . . . . ?
Pt2 Pt3 C3 O3 -165.4(7) . . . . ?
Pt1 Pt3 C3 O3 -172.7(9) . . . . ?
Tl Pt3 C3 O3 133.8(8) . . . . ?
C2 Pt3 C3 Pt1 34.5(6) . . . . ?
P3 Pt3 C3 Pt1 178.78(11) . . . . ?
Pt2 Pt3 C3 Pt1 7.28(19) . . . . ?
Tl Pt3 C3 Pt1 -53.45(14) . . . . ?
C6 Pt4 C4 O4 153.9(6) . . . . ?
P4 Pt4 C4 O4 -2.7(6) . . . . ?
Pt6 Pt4 C4 O4 171.9(6) . . . . ?
Pt5 Pt4 C4 O4 176.2(7) . . . . ?
Tl Pt4 C4 O4 -132.2(6) . . . . ?
C6 Pt4 C4 Pt5 -22.3(6) . . . . ?
P4 Pt4 C4 Pt5 -178.91(10) . . . . ?
Pt6 Pt4 C4 Pt5 -4.27(16) . . . . ?
Tl Pt4 C4 Pt5 51.56(11) . . . . ?
C5 Pt5 C4 O4 -140.3(6) . . . . ?
P5 Pt5 C4 O4 1.7(6) . . . . ?
Pt6 Pt5 C4 O4 -172.2(5) . . . . ?
Pt4 Pt5 C4 O4 -176.4(7) . . . . ?
Tl Pt5 C4 O4 125.4(6) . . . . ?
C5 Pt5 C4 Pt4 36.1(5) . . . . ?
P5 Pt5 C4 Pt4 178.14(10) . . . . ?
Pt6 Pt5 C4 Pt4 4.23(16) . . . . ?
Tl Pt5 C4 Pt4 -58.21(12) . . . . ?
C4 Pt5 C5 O5 126.1(6) . . . . ?
P5 Pt5 C5 O5 -15.3(7) . . . . ?
Pt6 Pt5 C5 O5 166.2(7) . . . . ?
Pt4 Pt5 C5 O5 154.4(6) . . . . ?
Tl Pt5 C5 O5 -138.8(6) . . . . ?
C4 Pt5 C5 Pt6 -40.1(5) . . . . ?
P5 Pt5 C5 Pt6 178.57(9) . . . . ?
Pt4 Pt5 C5 Pt6 -11.76(16) . . . . ?
Tl Pt5 C5 Pt6 55.00(11) . . . . ?
C6 Pt6 C5 O5 -127.8(6) . . . . ?
P6 Pt6 C5 O5 13.6(6) . . . . ?
Pt4 Pt6 C5 O5 -155.1(6) . . . . ?
Pt5 Pt6 C5 O5 -166.8(7) . . . . ?
Tl Pt6 C5 O5 138.8(6) . . . . ?
C6 Pt6 C5 Pt5 39.0(5) . . . . ?
P6 Pt6 C5 Pt5 -179.57(10) . . . . ?
Pt4 Pt6 C5 Pt5 11.76(16) . . . . ?
Tl Pt6 C5 Pt5 -54.36(11) . . . . ?
C4 Pt4 C6 O6 -153.0(6) . . . . ?
P4 Pt4 C6 O6 3.2(7) . . . . ?
Pt6 Pt4 C6 O6 -175.1(8) . . . . ?
Pt5 Pt4 C6 O6 -171.2(6) . . . . ?
Tl Pt4 C6 O6 133.3(7) . . . . ?
C4 Pt4 C6 Pt6 22.1(6) . . . . ?
P4 Pt4 C6 Pt6 178.37(9) . . . . ?
Pt5 Pt4 C6 Pt6 3.92(16) . . . . ?
Tl Pt4 C6 Pt6 -51.60(11) . . . . ?
C5 Pt6 C6 O6 140.9(6) . . . . ?
P6 Pt6 C6 O6 -0.3(6) . . . . ?
Pt4 Pt6 C6 O6 175.5(7) . . . . ?
Pt5 Pt6 C6 O6 171.6(6) . . . . ?
Tl Pt6 C6 O6 -126.9(6) . . . . ?
C5 Pt6 C6 Pt4 -34.7(5) . . . . ?
P6 Pt6 C6 Pt4 -175.89(10) . . . . ?
Pt5 Pt6 C6 Pt4 -3.92(16) . . . . ?
Tl Pt6 C6 Pt4 57.59(12) . . . . ?
C13 P1 C11 C14 -72.3(6) . . . . ?
C12 P1 C11 C14 -144.5(6) . . . . ?
C103 P1 C11 C14 -42.7(6) . . . . ?
C102 P1 C11 C14 -176.6(6) . . . . ?
Pt1 P1 C11 C14 67.8(5) . . . . ?
C13 P1 C12 C15 177.2(11) . . . . ?
C11 P1 C12 C15 -78.6(9) . . . . ?
C103 P1 C12 C15 -179.6(9) . . . . ?
C102 P1 C12 C15 -21.0(7) . . . . ?
Pt1 P1 C12 C15 68.3(9) . . . . ?
C13 P1 C102 C105 59.8(10) . . . . ?
C11 P1 C102 C105 173.0(9) . . . . ?
C12 P1 C102 C105 43.0(10) . . . . ?
C103 P1 C102 C105 72.7(12) . . . . ?
Pt1 P1 C102 C105 -67.0(9) . . . . ?
C11 P1 C13 C16 -41.0(10) . . . . ?
C12 P1 C13 C16 67.5(10) . . . . ?
C103 P1 C13 C16 -106.6(13) . . . . ?
C102 P1 C13 C16 56.0(9) . . . . ?
Pt1 P1 C13 C16 179.1(7) . . . . ?
C13 P1 C103 C106 62.6(12) . . . . ?
C11 P1 C103 C106 -59.4(12) . . . . ?
C12 P1 C103 C106 57.2(13) . . . . ?
C102 P1 C103 C106 38.8(16) . . . . ?
Pt1 P1 C103 C106 -179.6(11) . . . . ?
C22 P2 C21 C24 60.5(6) . . . . ?
C23 P2 C21 C24 -48.7(6) . . . . ?
Pt2 P2 C21 C24 -175.8(5) . . . . ?
C21 P2 C22 C25 175.4(4) . . . . ?
C23 P2 C22 C25 -74.7(4) . . . . ?
Pt2 P2 C22 C25 50.3(4) . . . . ?
C21 P2 C23 C26 -61.5(4) . . . . ?
C22 P2 C23 C26 -170.1(4) . . . . ?
Pt2 P2 C23 C26 66.0(4) . . . . ?
C33 P3 C31 C34 174.1(4) . . . . ?
C32 P3 C31 C34 65.9(5) . . . . ?
Pt3 P3 C31 C34 -63.2(5) . . . . ?
C33 P3 C32 C35 -54.6(4) . . . . ?
C31 P3 C32 C35 51.5(4) . . . . ?
Pt3 P3 C32 C35 -177.4(3) . . . . ?
C32 P3 C33 C36 -70.1(5) . . . . ?
C31 P3 C33 C36 -178.6(4) . . . . ?
Pt3 P3 C33 C36 54.5(5) . . . . ?
C42 P4 C41 C44 80.9(4) . . . . ?
C43 P4 C41 C44 -170.3(4) . . . . ?
Pt4 P4 C41 C44 -45.6(4) . . . . ?
C41 P4 C42 C45 165.3(4) . . . . ?
C43 P4 C42 C45 57.0(4) . . . . ?
Pt4 P4 C42 C45 -69.1(4) . . . . ?
C41 P4 C43 C46 -57.9(5) . . . . ?
C42 P4 C43 C46 51.1(5) . . . . ?
Pt4 P4 C43 C46 177.7(4) . . . . ?
C53 P5 C51 C54 -60.4(5) . . . . ?
C52 P5 C51 C54 47.8(5) . . . . ?
Pt5 P5 C51 C54 171.1(3) . . . . ?
C51 P5 C52 C55 62.9(4) . . . . ?
C53 P5 C52 C55 172.1(4) . . . . ?
Pt5 P5 C52 C55 -63.5(4) . . . . ?
C51 P5 C53 C56 -65.0(5) . . . . ?
C52 P5 C53 C56 -173.8(4) . . . . ?
Pt5 P5 C53 C56 64.1(5) . . . . ?
C63 P6 C61 C64 56.2(5) . . . . ?
C62 P6 C61 C64 -52.4(5) . . . . ?
Pt6 P6 C61 C64 177.4(4) . . . . ?
C61 P6 C62 C65 -60.5(5) . . . . ?
C63 P6 C62 C65 -170.2(5) . . . . ?
Pt6 P6 C62 C65 69.4(5) . . . . ?
C61 P6 C63 C66 57.5(5) . . . . ?
C62 P6 C63 C66 167.0(4) . . . . ?
Pt6 P6 C63 C66 -67.9(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.39
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.592
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.168

data_dahl168
_database_code_CSD               202092

_publ_section_abstract           
;
Two new isostructural thallium(I) sandwich M3TlM3 
clusters, [(m6-Tl)M6(m2-CO)6L6]+ (M = Pd(1), Pt(2); L = PEt3), 
have been synthesized in ~90% yields by reactions of M4(CO)5L4 
with TlPF6. 1 is the first example of a regular sandwich Pt3TlPt3 
cluster stabilized by only direct metal-metal bonding, while 2 
is the first reported example of any crystallographically determined 
sandwich Pd3M'Pd3 cluster (where M' denotes a metal within 
Groups 11, 12, and 13). Both 1 and 2 (without Et substituents) have an 
idealized trigonal-antiprismatic geometry of pseudo trigonal D3d 
(-32/m) symmetry.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
Bis[1,2; 2,3; 1,3-tri-m-carbonyl-1,2,3-
tris(triethylphosphine)tri-palladium]-thallium(I) (6 Pd-Pd) (6 Tl-Pd) 
hexafluorophosphate 
;
_chemical_name_common            
;
Bis(1,2; 2,3; 1,3-tri-m-carbonyl-1,2,3-
tris(triethylphosphine)tri-palladium)-thallium(i) (6 Pd-Pd) (6 Tl-Pd)
hexafluorophosphate
;
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H90 F6 O6 P7 Pd6 Tl'
_chemical_formula_weight         1864.70

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'
Pd Pd -0.9988 1.0072 '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   C2/c

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

_cell_length_a                   22.949(3)
_cell_length_b                   24.623(3)
_cell_length_c                   22.480(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.841(2)
_cell_angle_gamma                90.00
_cell_volume                     12658(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       'block-shaped crystal'
_exptl_crystal_colour            'dark red-green'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7248
_exptl_absorpt_coefficient_mu    4.435
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.3496
_exptl_absorpt_correction_T_max  0.4708
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
? 
;

_diffrn_ambient_temperature      100(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  'SMART CCD 1000 area detector difractometer'
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        <1%
_diffrn_reflns_number            57499
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.82
_diffrn_reflns_theta_max         28.50
_reflns_number_total             15576
_reflns_number_gt                13737
_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. 

The hydrogen atoms were generated geometrically. 
;

_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^)+(0.1000P)^2^+0.0000P] 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_number_reflns         15576
_refine_ls_number_parameters     631
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0305
_refine_ls_wR_factor_ref         0.0972
_refine_ls_wR_factor_gt          0.0921
_refine_ls_goodness_of_fit_ref   0.769
_refine_ls_restrained_S_all      0.769
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_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_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 -0.001127(5) 0.261269(5) 0.500741(5) 0.02070(5) Uani 1 1 d . . .
Pd1 Pd 0.012651(11) 0.325656(10) 0.609771(11) 0.01719(6) Uani 1 1 d . . .
Pd2 Pd -0.062507(10) 0.242181(9) 0.603823(10) 0.01515(6) Uani 1 1 d . . .
Pd3 Pd -0.089328(10) 0.332714(9) 0.542153(10) 0.01542(6) Uani 1 1 d . . .
Pd4 Pd -0.016476(10) 0.201843(9) 0.377907(10) 0.01497(6) Uani 1 1 d . . .
Pd5 Pd 0.064444(10) 0.278926(9) 0.401944(10) 0.01465(6) Uani 1 1 d . . .
Pd6 Pd 0.075185(10) 0.182658(9) 0.456534(10) 0.01467(6) Uani 1 1 d . . .
P1 P 0.10010(4) 0.36467(4) 0.64948(4) 0.02302(18) Uani 1 1 d . . .
P2 P -0.08861(4) 0.15686(3) 0.63616(4) 0.01699(16) Uani 1 1 d . . .
P3 P -0.15998(3) 0.38383(3) 0.48673(3) 0.01525(15) Uani 1 1 d . . .
P4 P -0.09977(4) 0.17466(3) 0.31928(4) 0.01645(16) Uani 1 1 d . . .
P5 P 0.09839(4) 0.36328(3) 0.37493(4) 0.01691(16) Uani 1 1 d . . .
P6 P 0.13248(4) 0.12095(3) 0.51327(4) 0.01625(16) Uani 1 1 d . . .
P7 P 0.26310(4) 0.47890(4) 0.24251(4) 0.02194(18) Uani 1 1 d . . .
F1 F 0.26058(14) 0.51398(12) 0.30163(12) 0.0505(7) Uani 1 1 d . . .
F2 F 0.26839(12) 0.42461(10) 0.28126(11) 0.0449(6) Uani 1 1 d . . .
F3 F 0.33224(12) 0.48394(14) 0.24697(15) 0.0588(8) Uani 1 1 d . . .
F4 F 0.26671(13) 0.44383(11) 0.18299(11) 0.0483(7) Uani 1 1 d . . .
F5 F 0.25650(14) 0.53293(10) 0.20314(13) 0.0532(8) Uani 1 1 d . . .
F6 F 0.19388(10) 0.47369(11) 0.23733(14) 0.0517(7) Uani 1 1 d . . .
O1 O 0.03888(11) 0.23495(10) 0.70068(11) 0.0281(6) Uani 1 1 d . . .
O2 O -0.18799(11) 0.24950(10) 0.54694(12) 0.0246(5) Uani 1 1 d . . .
O3 O -0.02178(14) 0.43859(11) 0.56447(16) 0.0499(9) Uani 1 1 d . . .
O4 O -0.03054(11) 0.30439(10) 0.30261(10) 0.0243(5) Uani 1 1 d . . .
O5 O 0.18669(11) 0.25137(11) 0.45895(13) 0.0275(6) Uani 1 1 d . . .
O6 O -0.00530(11) 0.08564(10) 0.42618(12) 0.0277(6) Uani 1 1 d . . .
C1 C 0.01304(14) 0.25485(13) 0.65965(15) 0.0183(6) Uani 1 1 d . . .
C2 C -0.14071(15) 0.26451(13) 0.55639(15) 0.0183(6) Uani 1 1 d . . .
C3 C -0.02749(16) 0.39236(15) 0.56695(17) 0.0281(8) Uani 1 1 d . . .
C4 C -0.00916(14) 0.27730(14) 0.33980(15) 0.0192(6) Uani 1 1 d . . .
C5 C 0.13679(15) 0.24475(13) 0.44939(15) 0.0183(6) Uani 1 1 d . . .
C6 C 0.00718(14) 0.13096(14) 0.42212(14) 0.0202(6) Uani 1 1 d . . .
C11 C 0.09981(16) 0.43851(14) 0.65791(16) 0.0257(7) Uani 1 1 d . . .
H11A H 0.1397 0.4506 0.6721 0.031 Uiso 1 1 calc R . .
H11B H 0.0898 0.4551 0.6183 0.031 Uiso 1 1 calc R . .
C12 C 0.16456(16) 0.35634(16) 0.60585(17) 0.0293(8) Uani 1 1 d . . .
H12A H 0.1552 0.3714 0.5653 0.035 Uiso 1 1 calc R . .
H12B H 0.1975 0.3776 0.6252 0.035 Uiso 1 1 calc R . .
C13 C 0.12464(19) 0.33878(17) 0.72309(17) 0.0350(9) Uani 1 1 d . . .
H13A H 0.0930 0.3451 0.7497 0.042 Uiso 1 1 calc R . .
H13B H 0.1296 0.2990 0.7198 0.042 Uiso 1 1 calc R . .
C14 C 0.0570(2) 0.4595(2) 0.7013(2) 0.0492(12) Uani 1 1 d . . .
H14A H 0.0171 0.4484 0.6873 0.074 Uiso 1 1 calc R . .
H14B H 0.0590 0.4992 0.7032 0.074 Uiso 1 1 calc R . .
H14C H 0.0673 0.4443 0.7411 0.074 Uiso 1 1 calc R . .
C15 C 0.18369(19) 0.29758(17) 0.6004(2) 0.0404(10) Uani 1 1 d . . .
H15A H 0.1987 0.2840 0.6397 0.061 Uiso 1 1 calc R . .
H15B H 0.2145 0.2954 0.5728 0.061 Uiso 1 1 calc R . .
H15C H 0.1502 0.2755 0.5850 0.061 Uiso 1 1 calc R . .
C16 C 0.1812(2) 0.3621(2) 0.7536(2) 0.0475(12) Uani 1 1 d . . .
H16A H 0.2124 0.3594 0.7265 0.071 Uiso 1 1 calc R . .
H16B H 0.1923 0.3416 0.7902 0.071 Uiso 1 1 calc R . .
H16C H 0.1752 0.4003 0.7636 0.071 Uiso 1 1 calc R . .
C21 C -0.02808(16) 0.11084(14) 0.65863(18) 0.0281(8) Uani 1 1 d . . .
H21A H -0.0025 0.1086 0.6254 0.034 Uiso 1 1 calc R . .
H21B H -0.0048 0.1273 0.6931 0.034 Uiso 1 1 calc R . .
C22 C -0.12984(15) 0.15936(14) 0.70230(15) 0.0230(7) Uani 1 1 d . . .
H22A H -0.1451 0.1226 0.7099 0.028 Uiso 1 1 calc R . .
H22B H -0.1030 0.1698 0.7373 0.028 Uiso 1 1 calc R . .
C23 C -0.13620(15) 0.11826(14) 0.58206(15) 0.0224(7) Uani 1 1 d . . .
H23A H -0.1485 0.0843 0.6010 0.027 Uiso 1 1 calc R . .
H23B H -0.1717 0.1398 0.5704 0.027 Uiso 1 1 calc R . .
C24 C -0.04411(19) 0.05337(17) 0.6756(2) 0.0446(11) Uani 1 1 d . . .
H24A H -0.0696 0.0546 0.7084 0.067 Uiso 1 1 calc R . .
H24B H -0.0084 0.0331 0.6883 0.067 Uiso 1 1 calc R . .
H24C H -0.0646 0.0353 0.6411 0.067 Uiso 1 1 calc R . .
C25 C -0.18093(16) 0.19944(17) 0.69615(17) 0.0305(8) Uani 1 1 d . . .
H25A H -0.1661 0.2360 0.6888 0.046 Uiso 1 1 calc R . .
H25B H -0.2009 0.1995 0.7330 0.046 Uiso 1 1 calc R . .
H25C H -0.2085 0.1885 0.6626 0.046 Uiso 1 1 calc R . .
C26 C -0.10527(18) 0.10410(16) 0.52568(16) 0.0305(8) Uani 1 1 d . . .
H26A H -0.0896 0.1373 0.5091 0.046 Uiso 1 1 calc R . .
H26B H -0.1334 0.0873 0.4959 0.046 Uiso 1 1 calc R . .
H26C H -0.0732 0.0787 0.5362 0.046 Uiso 1 1 calc R . .
C31 C -0.18530(16) 0.36261(14) 0.41094(15) 0.0237(7) Uani 1 1 d . . .
H31A H -0.2005 0.3250 0.4123 0.028 Uiso 1 1 calc R . .
H31B H -0.2180 0.3864 0.3958 0.028 Uiso 1 1 calc R . .
C32 C -0.14297(14) 0.45625(12) 0.47932(14) 0.0191(6) Uani 1 1 d . . .
H32A H -0.1342 0.4715 0.5198 0.023 Uiso 1 1 calc R . .
H32B H -0.1070 0.4594 0.4582 0.023 Uiso 1 1 calc R . .
C33 C -0.22840(15) 0.38362(14) 0.52309(15) 0.0232(7) Uani 1 1 d . . .
H33A H -0.2562 0.4091 0.5017 0.028 Uiso 1 1 calc R . .
H33B H -0.2457 0.3468 0.5197 0.028 Uiso 1 1 calc R . .
C34 C -0.1381(2) 0.36466(19) 0.36786(17) 0.0387(10) Uani 1 1 d . . .
H34A H -0.1229 0.4018 0.3661 0.058 Uiso 1 1 calc R . .
H34B H -0.1546 0.3537 0.3280 0.058 Uiso 1 1 calc R . .
H34C H -0.1063 0.3399 0.3815 0.058 Uiso 1 1 calc R . .
C35 C -0.19046(17) 0.49103(14) 0.44651(17) 0.0258(7) Uani 1 1 d . . .
H35A H -0.1932 0.4822 0.4038 0.039 Uiso 1 1 calc R . .
H35B H -0.1806 0.5295 0.4520 0.039 Uiso 1 1 calc R . .
H35C H -0.2281 0.4837 0.4626 0.039 Uiso 1 1 calc R . .
C36 C -0.22097(19) 0.39959(17) 0.58862(17) 0.0359(9) Uani 1 1 d . . .
H36A H -0.1917 0.3761 0.6098 0.054 Uiso 1 1 calc R . .
H36B H -0.2584 0.3955 0.6062 0.054 Uiso 1 1 calc R . .
H36C H -0.2081 0.4375 0.5922 0.054 Uiso 1 1 calc R . .
C41 C -0.16681(15) 0.20837(14) 0.33851(15) 0.0226(7) Uani 1 1 d . . .
H41A H -0.1678 0.2457 0.3222 0.027 Uiso 1 1 calc R . .
H41B H -0.2010 0.1886 0.3195 0.027 Uiso 1 1 calc R . .
C42 C -0.11725(15) 0.10230(13) 0.32259(15) 0.0209(6) Uani 1 1 d . . .
H42A H -0.1183 0.0913 0.3648 0.025 Uiso 1 1 calc R . .
H42B H -0.1566 0.0960 0.3021 0.025 Uiso 1 1 calc R . .
C43 C -0.09902(16) 0.18833(15) 0.23916(15) 0.0251(7) Uani 1 1 d . . .
H43A H -0.0946 0.2280 0.2336 0.030 Uiso 1 1 calc R . .
H43B H -0.0641 0.1706 0.2248 0.030 Uiso 1 1 calc R . .
C44 C -0.17164(16) 0.21094(15) 0.40561(16) 0.0268(7) Uani 1 1 d . . .
H44A H -0.1677 0.1743 0.4225 0.040 Uiso 1 1 calc R . .
H44B H -0.2098 0.2259 0.4134 0.040 Uiso 1 1 calc R . .
H44C H -0.1406 0.2342 0.4241 0.040 Uiso 1 1 calc R . .
C45 C -0.07239(16) 0.06709(15) 0.29324(17) 0.0278(8) Uani 1 1 d . . .
H45A H -0.0748 0.0745 0.2503 0.042 Uiso 1 1 calc R . .
H45B H -0.0808 0.0286 0.2998 0.042 Uiso 1 1 calc R . .
H45C H -0.0330 0.0756 0.3109 0.042 Uiso 1 1 calc R . .
C46 C -0.15280(18) 0.16945(17) 0.20003(16) 0.0324(9) Uani 1 1 d . . .
H46A H -0.1592 0.1306 0.2066 0.049 Uiso 1 1 calc R . .
H46B H -0.1466 0.1756 0.1580 0.049 Uiso 1 1 calc R . .
H46C H -0.1871 0.1900 0.2104 0.049 Uiso 1 1 calc R . .
C51 C 0.15379(15) 0.39578(13) 0.42662(15) 0.0213(7) Uani 1 1 d . . .
H51A H 0.1355 0.4057 0.4634 0.026 Uiso 1 1 calc R . .
H51B H 0.1849 0.3689 0.4378 0.026 Uiso 1 1 calc R . .
C52 C 0.13245(16) 0.35877(15) 0.30456(15) 0.0246(7) Uani 1 1 d . . .
H52A H 0.1032 0.3455 0.2730 0.029 Uiso 1 1 calc R . .
H52B H 0.1448 0.3955 0.2929 0.029 Uiso 1 1 calc R . .
C53 C 0.04281(16) 0.41555(14) 0.35973(19) 0.0306(8) Uani 1 1 d . . .
H53A H 0.0617 0.4487 0.3454 0.037 Uiso 1 1 calc R . .
H53B H 0.0141 0.4028 0.3274 0.037 Uiso 1 1 calc R . .
C54 C 0.18207(15) 0.44657(14) 0.40256(15) 0.0229(7) Uani 1 1 d . . .
H54A H 0.2043 0.4366 0.3689 0.034 Uiso 1 1 calc R . .
H54B H 0.2084 0.4629 0.4342 0.034 Uiso 1 1 calc R . .
H54C H 0.1516 0.4728 0.3892 0.034 Uiso 1 1 calc R . .
C55 C 0.18538(16) 0.32109(16) 0.30824(17) 0.0295(8) Uani 1 1 d . . .
H55A H 0.2165 0.3365 0.3356 0.044 Uiso 1 1 calc R . .
H55B H 0.1994 0.3171 0.2685 0.044 Uiso 1 1 calc R . .
H55C H 0.1742 0.2854 0.3229 0.044 Uiso 1 1 calc R . .
C56 C 0.01047(19) 0.42995(17) 0.4142(2) 0.0432(11) Uani 1 1 d . . .
H56A H -0.0012 0.3965 0.4337 0.065 Uiso 1 1 calc R . .
H56B H -0.0244 0.4514 0.4016 0.065 Uiso 1 1 calc R . .
H56C H 0.0363 0.4512 0.4423 0.065 Uiso 1 1 calc R . .
C61 C 0.09593(15) 0.06104(14) 0.54077(16) 0.0241(7) Uani 1 1 d . . .
H61A H 0.0658 0.0735 0.5667 0.029 Uiso 1 1 calc R . .
H61B H 0.0754 0.0422 0.5061 0.029 Uiso 1 1 calc R . .
C62 C 0.17595(15) 0.14654(14) 0.57909(15) 0.0231(7) Uani 1 1 d . . .
H62A H 0.2042 0.1182 0.5940 0.028 Uiso 1 1 calc R . .
H62B H 0.1986 0.1786 0.5677 0.028 Uiso 1 1 calc R . .
C63 C 0.18779(15) 0.09298(15) 0.46783(15) 0.0240(7) Uani 1 1 d . . .
H63A H 0.2092 0.1233 0.4505 0.029 Uiso 1 1 calc R . .
H63B H 0.2163 0.0717 0.4938 0.029 Uiso 1 1 calc R . .
C64 C 0.13523(19) 0.01975(15) 0.57575(18) 0.0341(9) Uani 1 1 d . . .
H64A H 0.1667 0.0084 0.5516 0.051 Uiso 1 1 calc R . .
H64B H 0.1120 -0.0120 0.5852 0.051 Uiso 1 1 calc R . .
H64C H 0.1522 0.0364 0.6129 0.051 Uiso 1 1 calc R . .
C65 C 0.13822(18) 0.16248(17) 0.62907(16) 0.0331(9) Uani 1 1 d . . .
H65A H 0.1054 0.1849 0.6127 0.050 Uiso 1 1 calc R . .
H65B H 0.1619 0.1832 0.6596 0.050 Uiso 1 1 calc R . .
H65C H 0.1232 0.1296 0.6471 0.050 Uiso 1 1 calc R . .
C66 C 0.16152(18) 0.05639(16) 0.41708(16) 0.0329(9) Uani 1 1 d . . .
H66A H 0.1439 0.0242 0.4340 0.049 Uiso 1 1 calc R . .
H66B H 0.1924 0.0451 0.3922 0.049 Uiso 1 1 calc R . .
H66C H 0.1314 0.0765 0.3926 0.049 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Tl 0.02171(8) 0.02079(9) 0.02045(8) 0.00102(4) 0.00685(6) 0.00277(5)
Pd1 0.01568(12) 0.01493(12) 0.02012(12) 0.00247(8) -0.00351(9) -0.00110(9)
Pd2 0.01351(12) 0.01428(12) 0.01755(12) 0.00253(8) 0.00072(9) 0.00003(8)
Pd3 0.01436(12) 0.01358(11) 0.01780(12) 0.00166(8) -0.00173(9) 0.00062(8)
Pd4 0.01227(12) 0.01469(11) 0.01764(12) 0.00179(8) -0.00066(9) -0.00062(8)
Pd5 0.01249(12) 0.01335(12) 0.01803(12) 0.00222(8) 0.00086(9) -0.00003(8)
Pd6 0.01325(12) 0.01297(11) 0.01746(12) 0.00138(8) -0.00069(9) 0.00153(8)
P1 0.0200(4) 0.0197(4) 0.0278(4) 0.0001(3) -0.0068(3) -0.0011(3)
P2 0.0156(4) 0.0158(4) 0.0194(4) 0.0026(3) 0.0006(3) -0.0005(3)
P3 0.0145(4) 0.0144(4) 0.0166(4) 0.0008(3) 0.0000(3) 0.0012(3)
P4 0.0139(4) 0.0163(4) 0.0188(4) 0.0021(3) -0.0005(3) -0.0012(3)
P5 0.0143(4) 0.0152(4) 0.0211(4) 0.0029(3) 0.0004(3) -0.0011(3)
P6 0.0170(4) 0.0137(4) 0.0177(4) 0.0012(3) -0.0004(3) 0.0032(3)
P7 0.0211(4) 0.0202(4) 0.0244(4) -0.0008(3) 0.0016(3) -0.0021(3)
F1 0.067(2) 0.0468(15) 0.0391(14) -0.0174(12) 0.0114(13) 0.0041(15)
F2 0.0515(16) 0.0381(14) 0.0459(14) 0.0167(11) 0.0090(12) 0.0163(12)
F3 0.0221(13) 0.075(2) 0.079(2) -0.0236(18) 0.0069(13) -0.0126(14)
F4 0.0676(18) 0.0419(14) 0.0323(12) -0.0158(11) -0.0142(12) 0.0172(13)
F5 0.081(2) 0.0287(13) 0.0552(16) 0.0156(12) 0.0369(15) 0.0059(14)
F6 0.0202(12) 0.0447(15) 0.089(2) 0.0137(15) -0.0022(13) 0.0020(11)
O1 0.0252(13) 0.0292(13) 0.0285(14) 0.0092(10) -0.0067(11) -0.0004(11)
O2 0.0192(13) 0.0206(11) 0.0336(14) 0.0033(10) -0.0014(10) -0.0023(10)
O3 0.0492(19) 0.0176(13) 0.076(2) 0.0084(14) -0.0379(17) -0.0069(13)
O4 0.0237(13) 0.0224(12) 0.0254(12) 0.0041(10) -0.0053(10) 0.0015(10)
O5 0.0168(13) 0.0282(13) 0.0369(15) 0.0039(11) -0.0027(11) -0.0014(10)
O6 0.0269(13) 0.0174(12) 0.0371(14) 0.0047(10) -0.0078(11) -0.0021(10)
C1 0.0151(15) 0.0176(15) 0.0227(16) 0.0005(12) 0.0040(12) -0.0010(12)
C2 0.0180(16) 0.0162(15) 0.0201(15) 0.0019(11) -0.0017(12) 0.0035(12)
C3 0.0242(18) 0.0241(18) 0.0335(19) 0.0040(14) -0.0126(15) -0.0023(14)
C4 0.0162(15) 0.0200(15) 0.0215(16) -0.0009(13) 0.0029(12) 0.0011(13)
C5 0.0182(16) 0.0159(15) 0.0203(16) 0.0015(12) -0.0010(12) 0.0016(12)
C6 0.0161(15) 0.0234(16) 0.0207(15) 0.0005(12) -0.0008(12) 0.0017(13)
C11 0.0238(17) 0.0211(16) 0.0313(18) -0.0046(14) -0.0036(14) 0.0019(14)
C12 0.0227(18) 0.0307(19) 0.034(2) -0.0038(15) 0.0025(15) -0.0017(15)
C13 0.038(2) 0.038(2) 0.0280(19) 0.0052(16) -0.0081(17) -0.0095(18)
C14 0.038(2) 0.056(3) 0.053(3) -0.025(2) -0.001(2) 0.015(2)
C15 0.035(2) 0.035(2) 0.051(3) -0.0120(19) 0.0049(19) 0.0029(18)
C16 0.049(3) 0.050(3) 0.040(2) 0.005(2) -0.016(2) -0.012(2)
C21 0.0223(18) 0.0221(17) 0.039(2) 0.0077(15) -0.0009(15) 0.0033(14)
C22 0.0224(17) 0.0249(17) 0.0216(16) 0.0027(13) 0.0014(13) -0.0069(14)
C23 0.0239(17) 0.0172(15) 0.0262(17) -0.0043(13) 0.0020(13) -0.0032(13)
C24 0.033(2) 0.029(2) 0.069(3) 0.018(2) -0.007(2) 0.0037(18)
C25 0.0250(19) 0.040(2) 0.0271(18) -0.0057(16) 0.0059(15) 0.0027(16)
C26 0.035(2) 0.0286(19) 0.0276(18) -0.0079(15) 0.0040(15) -0.0019(16)
C31 0.0285(18) 0.0205(16) 0.0213(16) -0.0039(13) -0.0028(14) 0.0021(14)
C32 0.0209(16) 0.0127(14) 0.0236(16) -0.0001(11) 0.0012(12) 0.0017(12)
C33 0.0175(16) 0.0219(16) 0.0310(18) 0.0016(13) 0.0063(13) 0.0012(13)
C34 0.052(3) 0.045(2) 0.0201(18) -0.0084(16) 0.0086(17) 0.004(2)
C35 0.031(2) 0.0176(15) 0.0272(18) 0.0025(13) -0.0052(15) 0.0042(14)
C36 0.042(2) 0.032(2) 0.037(2) -0.0066(16) 0.0201(18) -0.0077(18)
C41 0.0171(16) 0.0235(16) 0.0267(17) 0.0017(13) -0.0015(13) 0.0013(13)
C42 0.0197(16) 0.0170(15) 0.0256(16) 0.0029(12) -0.0001(13) -0.0010(13)
C43 0.0251(18) 0.0271(17) 0.0227(17) 0.0048(13) -0.0006(14) -0.0043(14)
C44 0.0265(18) 0.0246(17) 0.0304(18) 0.0003(14) 0.0087(15) 0.0031(14)
C45 0.0243(18) 0.0227(17) 0.0361(19) -0.0078(15) -0.0001(15) 0.0001(14)
C46 0.038(2) 0.037(2) 0.0211(17) 0.0062(15) -0.0084(16) -0.0099(17)
C51 0.0227(17) 0.0194(15) 0.0212(16) 0.0009(12) -0.0008(13) -0.0025(13)
C52 0.0256(18) 0.0283(18) 0.0195(16) -0.0010(13) 0.0000(13) -0.0099(14)
C53 0.0214(18) 0.0181(16) 0.051(2) 0.0095(16) -0.0027(16) 0.0009(14)
C54 0.0249(17) 0.0194(15) 0.0237(16) 0.0003(13) -0.0018(13) -0.0030(13)
C55 0.0239(19) 0.034(2) 0.0318(19) -0.0077(15) 0.0081(15) -0.0059(15)
C56 0.032(2) 0.0232(19) 0.077(3) 0.002(2) 0.017(2) 0.0059(17)
C61 0.0243(17) 0.0203(16) 0.0271(17) 0.0051(13) -0.0010(14) -0.0009(13)
C62 0.0220(17) 0.0218(16) 0.0244(17) -0.0002(13) -0.0044(13) 0.0035(13)
C63 0.0219(17) 0.0275(17) 0.0232(16) 0.0015(13) 0.0060(13) 0.0086(14)
C64 0.045(2) 0.0232(18) 0.032(2) 0.0070(15) -0.0057(17) 0.0000(17)
C65 0.037(2) 0.038(2) 0.0233(18) -0.0072(16) 0.0004(16) 0.0074(18)
C66 0.042(2) 0.034(2) 0.0230(17) -0.0030(15) 0.0040(16) 0.0143(18)

_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 Pd5 2.8196(3) . ?
Tl Pd6 2.8452(3) . ?
Tl Pd2 2.8505(4) . ?
Tl Pd3 2.8942(3) . ?
Tl Pd1 2.9138(4) . ?
Tl Pd4 3.1186(4) . ?
Pd1 C1 2.073(3) . ?
Pd1 C3 2.079(4) . ?
Pd1 P1 2.3335(9) . ?
Pd1 Pd2 2.6793(4) . ?
Pd1 Pd3 2.6865(4) . ?
Pd2 C1 2.076(3) . ?
Pd2 C2 2.083(3) . ?
Pd2 P2 2.3182(9) . ?
Pd2 Pd3 2.6695(4) . ?
Pd3 C3 2.085(4) . ?
Pd3 C2 2.092(3) . ?
Pd3 P3 2.3290(8) . ?
Pd4 C6 2.059(3) . ?
Pd4 C4 2.059(3) . ?
Pd4 P4 2.3267(9) . ?
Pd4 Pd6 2.6729(4) . ?
Pd4 Pd5 2.6784(4) . ?
Pd5 C5 2.074(3) . ?
Pd5 C4 2.100(3) . ?
Pd5 P5 2.3172(9) . ?
Pd5 Pd6 2.6711(4) . ?
Pd6 C5 2.098(3) . ?
Pd6 C6 2.110(3) . ?
Pd6 P6 2.3197(8) . ?
P1 C13 1.818(4) . ?
P1 C11 1.828(4) . ?
P1 C12 1.854(4) . ?
P2 C22 1.829(4) . ?
P2 C23 1.830(3) . ?
P2 C21 1.831(4) . ?
P3 C31 1.829(3) . ?
P3 C33 1.830(3) . ?
P3 C32 1.836(3) . ?
P4 C42 1.829(3) . ?
P4 C41 1.832(3) . ?
P4 C43 1.834(3) . ?
P5 C53 1.824(4) . ?
P5 C52 1.826(4) . ?
P5 C51 1.833(3) . ?
P6 C62 1.825(3) . ?
P6 C63 1.830(3) . ?
P6 C61 1.830(3) . ?
P7 F3 1.586(3) . ?
P7 F6 1.588(3) . ?
P7 F1 1.590(3) . ?
P7 F2 1.594(2) . ?
P7 F5 1.598(3) . ?
P7 F4 1.600(2) . ?
O1 C1 1.162(4) . ?
O2 C2 1.149(4) . ?
O3 C3 1.148(5) . ?
O4 C4 1.147(4) . ?
O5 C5 1.159(4) . ?
O6 C6 1.158(4) . ?
C11 C14 1.532(6) . ?
C12 C15 1.520(5) . ?
C13 C16 1.528(6) . ?
C21 C24 1.519(5) . ?
C22 C25 1.530(5) . ?
C23 C26 1.544(5) . ?
C31 C34 1.513(5) . ?
C32 C35 1.526(4) . ?
C33 C36 1.520(5) . ?
C41 C44 1.523(5) . ?
C42 C45 1.537(5) . ?
C43 C46 1.526(5) . ?
C51 C54 1.529(4) . ?
C52 C55 1.525(5) . ?
C53 C56 1.526(6) . ?
C61 C64 1.532(5) . ?
C62 C65 1.527(5) . ?
C63 C66 1.536(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
Pd5 Tl Pd6 56.264(8) . . ?
Pd5 Tl Pd2 177.345(8) . . ?
Pd6 Tl Pd2 122.189(9) . . ?
Pd5 Tl Pd3 126.431(9) . . ?
Pd6 Tl Pd3 173.551(8) . . ?
Pd2 Tl Pd3 55.373(8) . . ?
Pd5 Tl Pd1 123.465(10) . . ?
Pd6 Tl Pd1 129.619(9) . . ?
Pd2 Tl Pd1 55.383(9) . . ?
Pd3 Tl Pd1 55.103(8) . . ?
Pd5 Tl Pd4 53.332(9) . . ?
Pd6 Tl Pd4 53.014(7) . . ?
Pd2 Tl Pd4 128.008(9) . . ?
Pd3 Tl Pd4 122.697(8) . . ?
Pd1 Tl Pd4 175.018(8) . . ?
C1 Pd1 C3 153.70(14) . . ?
C1 Pd1 P1 100.09(10) . . ?
C3 Pd1 P1 100.66(10) . . ?
C1 Pd1 Pd2 49.83(9) . . ?
C3 Pd1 Pd2 108.95(10) . . ?
P1 Pd1 Pd2 149.79(2) . . ?
C1 Pd1 Pd3 108.92(9) . . ?
C3 Pd1 Pd3 49.93(10) . . ?
P1 Pd1 Pd3 150.44(3) . . ?
Pd2 Pd1 Pd3 59.669(10) . . ?
C1 Pd1 Tl 89.58(9) . . ?
C3 Pd1 Tl 91.61(11) . . ?
P1 Pd1 Tl 125.07(3) . . ?
Pd2 Pd1 Tl 61.111(8) . . ?
Pd3 Pd1 Tl 62.079(8) . . ?
C1 Pd2 C2 155.42(13) . . ?
C1 Pd2 P2 99.86(9) . . ?
C2 Pd2 P2 99.52(9) . . ?
C1 Pd2 Pd3 109.43(9) . . ?
C2 Pd2 Pd3 50.41(9) . . ?
P2 Pd2 Pd3 149.91(2) . . ?
C1 Pd2 Pd1 49.72(9) . . ?
C2 Pd2 Pd1 110.26(9) . . ?
P2 Pd2 Pd1 149.53(2) . . ?
Pd3 Pd2 Pd1 60.300(10) . . ?
C1 Pd2 Tl 91.26(9) . . ?
C2 Pd2 Tl 90.22(9) . . ?
P2 Pd2 Tl 124.25(2) . . ?
Pd3 Pd2 Tl 63.144(9) . . ?
Pd1 Pd2 Tl 63.506(9) . . ?
C3 Pd3 C2 154.71(14) . . ?
C3 Pd3 P3 100.93(10) . . ?
C2 Pd3 P3 98.03(9) . . ?
C3 Pd3 Pd2 109.12(10) . . ?
C2 Pd3 Pd2 50.09(9) . . ?
P3 Pd3 Pd2 148.07(2) . . ?
C3 Pd3 Pd1 49.73(10) . . ?
C2 Pd3 Pd1 109.68(9) . . ?
P3 Pd3 Pd1 150.63(2) . . ?
Pd2 Pd3 Pd1 60.031(9) . . ?
C3 Pd3 Tl 92.03(11) . . ?
C2 Pd3 Tl 88.84(9) . . ?
P3 Pd3 Tl 129.10(2) . . ?
Pd2 Pd3 Tl 61.483(9) . . ?
Pd1 Pd3 Tl 62.818(10) . . ?
C6 Pd4 C4 159.82(13) . . ?
C6 Pd4 P4 101.55(9) . . ?
C4 Pd4 P4 96.66(9) . . ?
C6 Pd4 Pd6 50.96(9) . . ?
C4 Pd4 Pd6 110.33(9) . . ?
P4 Pd4 Pd6 152.47(2) . . ?
C6 Pd4 Pd5 110.69(9) . . ?
C4 Pd4 Pd5 50.57(9) . . ?
P4 Pd4 Pd5 147.21(2) . . ?
Pd6 Pd4 Pd5 59.886(10) . . ?
C6 Pd4 Tl 87.98(9) . . ?
C4 Pd4 Tl 86.44(9) . . ?
P4 Pd4 Tl 131.50(2) . . ?
Pd6 Pd4 Tl 58.240(8) . . ?
Pd5 Pd4 Tl 57.608(8) . . ?
C5 Pd5 C4 153.95(13) . . ?
C5 Pd5 P5 103.08(9) . . ?
C4 Pd5 P5 96.43(9) . . ?
C5 Pd5 Pd6 50.58(9) . . ?
C4 Pd5 Pd6 109.06(9) . . ?
P5 Pd5 Pd6 153.62(2) . . ?
C5 Pd5 Pd4 109.11(9) . . ?
C4 Pd5 Pd4 49.24(9) . . ?
P5 Pd5 Pd4 145.59(2) . . ?
Pd6 Pd5 Pd4 59.956(10) . . ?
C5 Pd5 Tl 89.40(9) . . ?
C4 Pd5 Tl 93.91(9) . . ?
P5 Pd5 Tl 123.93(2) . . ?
Pd6 Pd5 Tl 62.352(8) . . ?
Pd4 Pd5 Tl 69.060(9) . . ?
C5 Pd6 C6 153.41(13) . . ?
C5 Pd6 P6 99.50(9) . . ?
C6 Pd6 P6 100.01(9) . . ?
C5 Pd6 Pd5 49.81(9) . . ?
C6 Pd6 Pd5 109.29(9) . . ?
P6 Pd6 Pd5 149.31(2) . . ?
C5 Pd6 Pd4 108.57(9) . . ?
C6 Pd6 Pd4 49.28(9) . . ?
P6 Pd6 Pd4 149.01(2) . . ?
Pd5 Pd6 Pd4 60.158(9) . . ?
C5 Pd6 Tl 88.25(9) . . ?
C6 Pd6 Tl 94.62(9) . . ?
P6 Pd6 Tl 126.20(2) . . ?
Pd5 Pd6 Tl 61.384(9) . . ?
Pd4 Pd6 Tl 68.745(10) . . ?
C13 P1 C11 104.95(18) . . ?
C13 P1 C12 104.07(19) . . ?
C11 P1 C12 100.08(18) . . ?
C13 P1 Pd1 113.21(14) . . ?
C11 P1 Pd1 116.01(12) . . ?
C12 P1 Pd1 116.81(13) . . ?
C22 P2 C23 103.70(16) . . ?
C22 P2 C21 103.24(17) . . ?
C23 P2 C21 104.96(17) . . ?
C22 P2 Pd2 112.92(12) . . ?
C23 P2 Pd2 114.69(12) . . ?
C21 P2 Pd2 115.93(12) . . ?
C31 P3 C33 101.43(16) . . ?
C31 P3 C32 104.25(15) . . ?
C33 P3 C32 103.91(15) . . ?
C31 P3 Pd3 119.73(12) . . ?
C33 P3 Pd3 110.14(12) . . ?
C32 P3 Pd3 115.45(11) . . ?
C42 P4 C41 103.90(16) . . ?
C42 P4 C43 103.83(16) . . ?
C41 P4 C43 103.08(16) . . ?
C42 P4 Pd4 115.45(11) . . ?
C41 P4 Pd4 113.71(11) . . ?
C43 P4 Pd4 115.36(12) . . ?
C53 P5 C52 102.96(18) . . ?
C53 P5 C51 104.32(17) . . ?
C52 P5 C51 104.54(16) . . ?
C53 P5 Pd5 115.88(12) . . ?
C52 P5 Pd5 110.52(12) . . ?
C51 P5 Pd5 117.12(11) . . ?
C62 P6 C63 103.01(16) . . ?
C62 P6 C61 103.84(16) . . ?
C63 P6 C61 104.15(17) . . ?
C62 P6 Pd6 117.72(11) . . ?
C63 P6 Pd6 109.11(11) . . ?
C61 P6 Pd6 117.32(11) . . ?
F3 P7 F6 179.40(18) . . ?
F3 P7 F1 90.65(17) . . ?
F6 P7 F1 89.91(17) . . ?
F3 P7 F2 90.09(17) . . ?
F6 P7 F2 90.11(15) . . ?
F1 P7 F2 90.30(15) . . ?
F3 P7 F5 91.00(18) . . ?
F6 P7 F5 88.80(16) . . ?
F1 P7 F5 90.12(17) . . ?
F2 P7 F5 178.83(18) . . ?
F3 P7 F4 88.45(16) . . ?
F6 P7 F4 90.98(16) . . ?
F1 P7 F4 179.09(18) . . ?
F2 P7 F4 89.86(14) . . ?
F5 P7 F4 89.73(15) . . ?
O1 C1 Pd1 139.7(3) . . ?
O1 C1 Pd2 139.5(3) . . ?
Pd1 C1 Pd2 80.45(12) . . ?
O2 C2 Pd2 140.3(3) . . ?
O2 C2 Pd3 140.0(3) . . ?
Pd2 C2 Pd3 79.50(12) . . ?
O3 C3 Pd1 139.3(3) . . ?
O3 C3 Pd3 139.8(3) . . ?
Pd1 C3 Pd3 80.34(13) . . ?
O4 C4 Pd4 141.6(3) . . ?
O4 C4 Pd5 138.1(3) . . ?
Pd4 C4 Pd5 80.19(12) . . ?
O5 C5 Pd5 140.7(3) . . ?
O5 C5 Pd6 138.6(3) . . ?
Pd5 C5 Pd6 79.61(12) . . ?
O6 C6 Pd4 143.0(3) . . ?
O6 C6 Pd6 137.1(3) . . ?
Pd4 C6 Pd6 79.76(12) . . ?
C14 C11 P1 114.2(3) . . ?
C15 C12 P1 113.4(3) . . ?
C16 C13 P1 117.6(3) . . ?
C24 C21 P2 116.9(3) . . ?
C25 C22 P2 113.1(2) . . ?
C26 C23 P2 111.9(2) . . ?
C34 C31 P3 113.5(3) . . ?
C35 C32 P3 116.1(2) . . ?
C36 C33 P3 113.7(3) . . ?
C44 C41 P4 112.7(2) . . ?
C45 C42 P4 112.0(2) . . ?
C46 C43 P4 115.8(3) . . ?
C54 C51 P5 115.2(2) . . ?
C55 C52 P5 112.8(3) . . ?
C56 C53 P5 113.2(3) . . ?
C64 C61 P6 116.2(3) . . ?
C65 C62 P6 112.4(3) . . ?
C66 C63 P6 112.8(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd5 Tl Pd1 C1 -134.22(9) . . . . ?
Pd6 Tl Pd1 C1 -62.70(9) . . . . ?
Pd2 Tl Pd1 C1 42.90(9) . . . . ?
Pd3 Tl Pd1 C1 111.77(9) . . . . ?
Pd4 Tl Pd1 C1 177.09(12) . . . . ?
Pd5 Tl Pd1 C3 72.06(11) . . . . ?
Pd6 Tl Pd1 C3 143.57(11) . . . . ?
Pd2 Tl Pd1 C3 -110.83(11) . . . . ?
Pd3 Tl Pd1 C3 -41.95(11) . . . . ?
Pd4 Tl Pd1 C3 23.37(14) . . . . ?
Pd5 Tl Pd1 P1 -32.17(3) . . . . ?
Pd6 Tl Pd1 P1 39.35(3) . . . . ?
Pd2 Tl Pd1 P1 144.94(3) . . . . ?
Pd3 Tl Pd1 P1 -146.18(3) . . . . ?
Pd4 Tl Pd1 P1 -80.86(9) . . . . ?
Pd5 Tl Pd1 Pd2 -177.114(9) . . . . ?
Pd6 Tl Pd1 Pd2 -105.598(13) . . . . ?
Pd3 Tl Pd1 Pd2 68.879(11) . . . . ?
Pd4 Tl Pd1 Pd2 134.20(9) . . . . ?
Pd5 Tl Pd1 Pd3 114.007(12) . . . . ?
Pd6 Tl Pd1 Pd3 -174.476(10) . . . . ?
Pd2 Tl Pd1 Pd3 -68.879(11) . . . . ?
Pd4 Tl Pd1 Pd3 65.32(9) . . . . ?
C3 Pd1 Pd2 C1 -161.91(17) . . . . ?
P1 Pd1 Pd2 C1 6.15(13) . . . . ?
Pd3 Pd1 Pd2 C1 -170.22(12) . . . . ?
Tl Pd1 Pd2 C1 117.04(12) . . . . ?
C1 Pd1 Pd2 C2 163.30(16) . . . . ?
C3 Pd1 Pd2 C2 1.38(16) . . . . ?
P1 Pd1 Pd2 C2 169.45(11) . . . . ?
Pd3 Pd1 Pd2 C2 -6.93(10) . . . . ?
Tl Pd1 Pd2 C2 -79.66(10) . . . . ?
C1 Pd1 Pd2 P2 -3.90(13) . . . . ?
C3 Pd1 Pd2 P2 -165.82(13) . . . . ?
P1 Pd1 Pd2 P2 2.25(8) . . . . ?
Pd3 Pd1 Pd2 P2 -174.13(5) . . . . ?
Tl Pd1 Pd2 P2 113.14(5) . . . . ?
C1 Pd1 Pd2 Pd3 170.22(12) . . . . ?
C3 Pd1 Pd2 Pd3 8.31(12) . . . . ?
P1 Pd1 Pd2 Pd3 176.38(5) . . . . ?
Tl Pd1 Pd2 Pd3 -72.735(10) . . . . ?
C1 Pd1 Pd2 Tl -117.04(12) . . . . ?
C3 Pd1 Pd2 Tl 81.05(12) . . . . ?
P1 Pd1 Pd2 Tl -110.89(5) . . . . ?
Pd3 Pd1 Pd2 Tl 72.735(10) . . . . ?
Pd5 Tl Pd2 C1 22.3(2) . . . . ?
Pd6 Tl Pd2 C1 75.94(9) . . . . ?
Pd3 Tl Pd2 C1 -111.21(9) . . . . ?
Pd1 Tl Pd2 C1 -42.81(9) . . . . ?
Pd4 Tl Pd2 C1 141.72(9) . . . . ?
Pd5 Tl Pd2 C2 178(19) . . . . ?
Pd6 Tl Pd2 C2 -128.60(9) . . . . ?
Pd3 Tl Pd2 C2 44.25(9) . . . . ?
Pd1 Tl Pd2 C2 112.65(9) . . . . ?
Pd4 Tl Pd2 C2 -62.82(9) . . . . ?
Pd5 Tl Pd2 P2 -80.56(17) . . . . ?
Pd6 Tl Pd2 P2 -26.90(3) . . . . ?
Pd3 Tl Pd2 P2 145.95(3) . . . . ?
Pd1 Tl Pd2 P2 -145.65(3) . . . . ?
Pd4 Tl Pd2 P2 38.88(3) . . . . ?
Pd5 Tl Pd2 Pd3 133.49(17) . . . . ?
Pd6 Tl Pd2 Pd3 -172.845(10) . . . . ?
Pd1 Tl Pd2 Pd3 68.400(11) . . . . ?
Pd4 Tl Pd2 Pd3 -107.068(12) . . . . ?
Pd5 Tl Pd2 Pd1 65.09(17) . . . . ?
Pd6 Tl Pd2 Pd1 118.755(12) . . . . ?
Pd3 Tl Pd2 Pd1 -68.400(11) . . . . ?
Pd4 Tl Pd2 Pd1 -175.467(9) . . . . ?
C1 Pd2 Pd3 C3 -0.40(16) . . . . ?
C2 Pd2 Pd3 C3 163.26(17) . . . . ?
P2 Pd2 Pd3 C3 165.77(13) . . . . ?
Pd1 Pd2 Pd3 C3 -8.30(12) . . . . ?
Tl Pd2 Pd3 C3 -81.63(12) . . . . ?
C1 Pd2 Pd3 C2 -163.66(15) . . . . ?
P2 Pd2 Pd3 C2 2.50(13) . . . . ?
Pd1 Pd2 Pd3 C2 -171.56(12) . . . . ?
Tl Pd2 Pd3 C2 115.11(12) . . . . ?
C1 Pd2 Pd3 P3 -159.75(10) . . . . ?
C2 Pd2 Pd3 P3 3.91(13) . . . . ?
P2 Pd2 Pd3 P3 6.42(7) . . . . ?
Pd1 Pd2 Pd3 P3 -167.65(4) . . . . ?
Tl Pd2 Pd3 P3 119.02(4) . . . . ?
C1 Pd2 Pd3 Pd1 7.89(10) . . . . ?
C2 Pd2 Pd3 Pd1 171.56(12) . . . . ?
P2 Pd2 Pd3 Pd1 174.06(5) . . . . ?
Tl Pd2 Pd3 Pd1 -73.332(11) . . . . ?
C1 Pd2 Pd3 Tl 81.23(10) . . . . ?
C2 Pd2 Pd3 Tl -115.11(12) . . . . ?
P2 Pd2 Pd3 Tl -112.61(5) . . . . ?
Pd1 Pd2 Pd3 Tl 73.332(11) . . . . ?
C1 Pd1 Pd3 C3 161.82(18) . . . . ?
P1 Pd1 Pd3 C3 -6.60(16) . . . . ?
Pd2 Pd1 Pd3 C3 169.71(15) . . . . ?
Tl Pd1 Pd3 C3 -119.16(15) . . . . ?
C1 Pd1 Pd3 C2 -1.01(14) . . . . ?
C3 Pd1 Pd3 C2 -162.84(18) . . . . ?
P1 Pd1 Pd3 C2 -169.44(11) . . . . ?
Pd2 Pd1 Pd3 C2 6.87(10) . . . . ?
Tl Pd1 Pd3 C2 78.00(10) . . . . ?
C1 Pd1 Pd3 P3 158.78(11) . . . . ?
C3 Pd1 Pd3 P3 -3.05(16) . . . . ?
P1 Pd1 Pd3 P3 -9.65(8) . . . . ?
Pd2 Pd1 Pd3 P3 166.66(5) . . . . ?
Tl Pd1 Pd3 P3 -122.21(5) . . . . ?
C1 Pd1 Pd3 Pd2 -7.88(10) . . . . ?
C3 Pd1 Pd3 Pd2 -169.71(15) . . . . ?
P1 Pd1 Pd3 Pd2 -176.31(6) . . . . ?
Tl Pd1 Pd3 Pd2 71.131(10) . . . . ?
C1 Pd1 Pd3 Tl -79.02(10) . . . . ?
C3 Pd1 Pd3 Tl 119.16(15) . . . . ?
P1 Pd1 Pd3 Tl 112.56(6) . . . . ?
Pd2 Pd1 Pd3 Tl -71.131(10) . . . . ?
Pd5 Tl Pd3 C3 -66.90(10) . . . . ?
Pd6 Tl Pd3 C3 -179(7) . . . . ?
Pd2 Tl Pd3 C3 110.71(10) . . . . ?
Pd1 Tl Pd3 C3 41.81(10) . . . . ?
Pd4 Tl Pd3 C3 -132.80(10) . . . . ?
Pd5 Tl Pd3 C2 138.39(9) . . . . ?
Pd6 Tl Pd3 C2 25.79(11) . . . . ?
Pd2 Tl Pd3 C2 -44.01(9) . . . . ?
Pd1 Tl Pd3 C2 -112.90(9) . . . . ?
Pd4 Tl Pd3 C2 72.48(9) . . . . ?
Pd5 Tl Pd3 P3 38.97(3) . . . . ?
Pd6 Tl Pd3 P3 -73.63(8) . . . . ?
Pd2 Tl Pd3 P3 -143.42(3) . . . . ?
Pd1 Tl Pd3 P3 147.68(3) . . . . ?
Pd4 Tl Pd3 P3 -26.94(3) . . . . ?
Pd5 Tl Pd3 Pd2 -177.606(10) . . . . ?
Pd6 Tl Pd3 Pd2 69.79(7) . . . . ?
Pd1 Tl Pd3 Pd2 -68.896(11) . . . . ?
Pd4 Tl Pd3 Pd2 116.485(11) . . . . ?
Pd5 Tl Pd3 Pd1 -108.710(12) . . . . ?
Pd6 Tl Pd3 Pd1 138.69(7) . . . . ?
Pd2 Tl Pd3 Pd1 68.896(11) . . . . ?
Pd4 Tl Pd3 Pd1 -174.619(9) . . . . ?
Pd5 Tl Pd4 C6 116.17(9) . . . . ?
Pd6 Tl Pd4 C6 43.99(9) . . . . ?
Pd2 Tl Pd4 C6 -60.95(9) . . . . ?
Pd3 Tl Pd4 C6 -130.14(9) . . . . ?
Pd1 Tl Pd4 C6 167.54(12) . . . . ?
Pd5 Tl Pd4 C4 -44.43(9) . . . . ?
Pd6 Tl Pd4 C4 -116.61(9) . . . . ?
Pd2 Tl Pd4 C4 138.45(9) . . . . ?
Pd3 Tl Pd4 C4 69.26(9) . . . . ?
Pd1 Tl Pd4 C4 6.94(13) . . . . ?
Pd5 Tl Pd4 P4 -140.17(3) . . . . ?
Pd6 Tl Pd4 P4 147.65(3) . . . . ?
Pd2 Tl Pd4 P4 42.71(3) . . . . ?
Pd3 Tl Pd4 P4 -26.47(3) . . . . ?
Pd1 Tl Pd4 P4 -88.80(9) . . . . ?
Pd5 Tl Pd4 Pd6 72.178(12) . . . . ?
Pd2 Tl Pd4 Pd6 -104.940(13) . . . . ?
Pd3 Tl Pd4 Pd6 -174.127(10) . . . . ?
Pd1 Tl Pd4 Pd6 123.55(9) . . . . ?
Pd6 Tl Pd4 Pd5 -72.178(12) . . . . ?
Pd2 Tl Pd4 Pd5 -177.118(10) . . . . ?
Pd3 Tl Pd4 Pd5 113.695(12) . . . . ?
Pd1 Tl Pd4 Pd5 51.37(9) . . . . ?
C6 Pd4 Pd5 C5 8.20(14) . . . . ?
C4 Pd4 Pd5 C5 -163.07(15) . . . . ?
P4 Pd4 Pd5 C5 -160.65(11) . . . . ?
Pd6 Pd4 Pd5 C5 12.35(10) . . . . ?
Tl Pd4 Pd5 C5 81.70(10) . . . . ?
C6 Pd4 Pd5 C4 171.27(16) . . . . ?
P4 Pd4 Pd5 C4 2.41(13) . . . . ?
Pd6 Pd4 Pd5 C4 175.41(12) . . . . ?
Tl Pd4 Pd5 C4 -115.24(12) . . . . ?
C6 Pd4 Pd5 P5 166.57(11) . . . . ?
C4 Pd4 Pd5 P5 -4.69(13) . . . . ?
P4 Pd4 Pd5 P5 -2.28(6) . . . . ?
Pd6 Pd4 Pd5 P5 170.72(4) . . . . ?
Tl Pd4 Pd5 P5 -119.93(4) . . . . ?
C6 Pd4 Pd5 Pd6 -4.14(10) . . . . ?
C4 Pd4 Pd5 Pd6 -175.41(12) . . . . ?
P4 Pd4 Pd5 Pd6 -173.00(4) . . . . ?
Tl Pd4 Pd5 Pd6 69.351(10) . . . . ?
C6 Pd4 Pd5 Tl -73.50(10) . . . . ?
C4 Pd4 Pd5 Tl 115.24(12) . . . . ?
P4 Pd4 Pd5 Tl 117.65(4) . . . . ?
Pd6 Pd4 Pd5 Tl -69.351(10) . . . . ?
Pd6 Tl Pd5 C5 -44.64(9) . . . . ?
Pd2 Tl Pd5 C5 10.4(2) . . . . ?
Pd3 Tl Pd5 C5 142.52(9) . . . . ?
Pd1 Tl Pd5 C5 73.90(9) . . . . ?
Pd4 Tl Pd5 C5 -110.77(9) . . . . ?
Pd6 Tl Pd5 C4 109.50(9) . . . . ?
Pd2 Tl Pd5 C4 164.56(19) . . . . ?
Pd3 Tl Pd5 C4 -63.34(9) . . . . ?
Pd1 Tl Pd5 C4 -131.96(9) . . . . ?
Pd4 Tl Pd5 C4 43.37(9) . . . . ?
Pd6 Tl Pd5 P5 -150.05(3) . . . . ?
Pd2 Tl Pd5 P5 -94.99(17) . . . . ?
Pd3 Tl Pd5 P5 37.11(3) . . . . ?
Pd1 Tl Pd5 P5 -31.51(3) . . . . ?
Pd4 Tl Pd5 P5 143.82(3) . . . . ?
Pd2 Tl Pd5 Pd6 55.06(17) . . . . ?
Pd3 Tl Pd5 Pd6 -172.837(10) . . . . ?
Pd1 Tl Pd5 Pd6 118.539(12) . . . . ?
Pd4 Tl Pd5 Pd6 -66.126(11) . . . . ?
Pd6 Tl Pd5 Pd4 66.126(11) . . . . ?
Pd2 Tl Pd5 Pd4 121.19(17) . . . . ?
Pd3 Tl Pd5 Pd4 -106.711(12) . . . . ?
Pd1 Tl Pd5 Pd4 -175.335(9) . . . . ?
C4 Pd5 Pd6 C5 161.16(15) . . . . ?
P5 Pd5 Pd6 C5 -3.32(13) . . . . ?
Pd4 Pd5 Pd6 C5 164.84(12) . . . . ?
Tl Pd5 Pd6 C5 -114.55(12) . . . . ?
C5 Pd5 Pd6 C6 -160.83(15) . . . . ?
C4 Pd5 Pd6 C6 0.33(13) . . . . ?
P5 Pd5 Pd6 C6 -164.15(11) . . . . ?
Pd4 Pd5 Pd6 C6 4.01(10) . . . . ?
Tl Pd5 Pd6 C6 84.62(10) . . . . ?
C5 Pd5 Pd6 P6 1.03(13) . . . . ?
C4 Pd5 Pd6 P6 162.20(10) . . . . ?
P5 Pd5 Pd6 P6 -2.29(8) . . . . ?
Pd4 Pd5 Pd6 P6 165.87(5) . . . . ?
Tl Pd5 Pd6 P6 -113.52(5) . . . . ?
C5 Pd5 Pd6 Pd4 -164.84(12) . . . . ?
C4 Pd5 Pd6 Pd4 -3.67(10) . . . . ?
P5 Pd5 Pd6 Pd4 -168.16(5) . . . . ?
Tl Pd5 Pd6 Pd4 80.613(11) . . . . ?
C5 Pd5 Pd6 Tl 114.55(12) . . . . ?
C4 Pd5 Pd6 Tl -84.29(10) . . . . ?
P5 Pd5 Pd6 Tl 111.22(5) . . . . ?
Pd4 Pd5 Pd6 Tl -80.613(11) . . . . ?
C6 Pd4 Pd6 C5 162.84(15) . . . . ?
C4 Pd4 Pd6 C5 -8.39(14) . . . . ?
P4 Pd4 Pd6 C5 159.62(11) . . . . ?
Pd5 Pd4 Pd6 C5 -12.17(10) . . . . ?
Tl Pd4 Pd6 C5 -80.49(10) . . . . ?
C4 Pd4 Pd6 C6 -171.23(15) . . . . ?
P4 Pd4 Pd6 C6 -3.22(13) . . . . ?
Pd5 Pd4 Pd6 C6 -175.01(12) . . . . ?
Tl Pd4 Pd6 C6 116.67(12) . . . . ?
C6 Pd4 Pd6 P6 9.01(13) . . . . ?
C4 Pd4 Pd6 P6 -162.22(11) . . . . ?
P4 Pd4 Pd6 P6 5.79(7) . . . . ?
Pd5 Pd4 Pd6 P6 -165.99(5) . . . . ?
Tl Pd4 Pd6 P6 125.68(5) . . . . ?
C6 Pd4 Pd6 Pd5 175.01(12) . . . . ?
C4 Pd4 Pd6 Pd5 3.78(10) . . . . ?
P4 Pd4 Pd6 Pd5 171.79(5) . . . . ?
Tl Pd4 Pd6 Pd5 -68.327(10) . . . . ?
C6 Pd4 Pd6 Tl -116.67(12) . . . . ?
C4 Pd4 Pd6 Tl 72.10(10) . . . . ?
P4 Pd4 Pd6 Tl -119.88(5) . . . . ?
Pd5 Pd4 Pd6 Tl 68.327(10) . . . . ?
Pd5 Tl Pd6 C5 44.04(9) . . . . ?
Pd2 Tl Pd6 C5 -133.39(9) . . . . ?
Pd3 Tl Pd6 C5 160.76(11) . . . . ?
Pd1 Tl Pd6 C5 -63.89(9) . . . . ?
Pd4 Tl Pd6 C5 110.71(9) . . . . ?
Pd5 Tl Pd6 C6 -109.47(9) . . . . ?
Pd2 Tl Pd6 C6 73.10(9) . . . . ?
Pd3 Tl Pd6 C6 7.25(12) . . . . ?
Pd1 Tl Pd6 C6 142.59(9) . . . . ?
Pd4 Tl Pd6 C6 -42.80(9) . . . . ?
Pd5 Tl Pd6 P6 144.55(3) . . . . ?
Pd2 Tl Pd6 P6 -32.88(3) . . . . ?
Pd3 Tl Pd6 P6 -98.73(7) . . . . ?
Pd1 Tl Pd6 P6 36.61(3) . . . . ?
Pd4 Tl Pd6 P6 -148.78(3) . . . . ?
Pd2 Tl Pd6 Pd5 -177.429(9) . . . . ?
Pd3 Tl Pd6 Pd5 116.72(7) . . . . ?
Pd1 Tl Pd6 Pd5 -107.937(13) . . . . ?
Pd4 Tl Pd6 Pd5 66.671(10) . . . . ?
Pd5 Tl Pd6 Pd4 -66.671(10) . . . . ?
Pd2 Tl Pd6 Pd4 115.900(11) . . . . ?
Pd3 Tl Pd6 Pd4 50.05(7) . . . . ?
Pd1 Tl Pd6 Pd4 -174.608(10) . . . . ?
C1 Pd1 P1 C13 -21.24(19) . . . . ?
C3 Pd1 P1 C13 142.5(2) . . . . ?
Pd2 Pd1 P1 C13 -26.01(18) . . . . ?
Pd3 Pd1 P1 C13 147.65(16) . . . . ?
Tl Pd1 P1 C13 -117.88(17) . . . . ?
C1 Pd1 P1 C11 -142.68(17) . . . . ?
C3 Pd1 P1 C11 21.07(18) . . . . ?
Pd2 Pd1 P1 C11 -147.45(13) . . . . ?
Pd3 Pd1 P1 C11 26.20(16) . . . . ?
Tl Pd1 P1 C11 120.68(14) . . . . ?
C1 Pd1 P1 C12 99.62(17) . . . . ?
C3 Pd1 P1 C12 -96.63(19) . . . . ?
Pd2 Pd1 P1 C12 94.85(15) . . . . ?
Pd3 Pd1 P1 C12 -91.50(15) . . . . ?
Tl Pd1 P1 C12 2.98(15) . . . . ?
C1 Pd2 P2 C22 83.65(15) . . . . ?
C2 Pd2 P2 C22 -81.16(15) . . . . ?
Pd3 Pd2 P2 C22 -83.12(13) . . . . ?
Pd1 Pd2 P2 C22 86.68(13) . . . . ?
Tl Pd2 P2 C22 -177.99(12) . . . . ?
C1 Pd2 P2 C23 -157.82(15) . . . . ?
C2 Pd2 P2 C23 37.36(16) . . . . ?
Pd3 Pd2 P2 C23 35.41(14) . . . . ?
Pd1 Pd2 P2 C23 -154.80(12) . . . . ?
Tl Pd2 P2 C23 -59.47(13) . . . . ?
C1 Pd2 P2 C21 -35.17(18) . . . . ?
C2 Pd2 P2 C21 160.02(17) . . . . ?
Pd3 Pd2 P2 C21 158.06(15) . . . . ?
Pd1 Pd2 P2 C21 -32.15(16) . . . . ?
Tl Pd2 P2 C21 63.19(15) . . . . ?
C3 Pd3 P3 C31 126.87(18) . . . . ?
C2 Pd3 P3 C31 -69.94(17) . . . . ?
Pd2 Pd3 P3 C31 -72.97(15) . . . . ?
Pd1 Pd3 P3 C31 129.24(14) . . . . ?
Tl Pd3 P3 C31 25.13(15) . . . . ?
C3 Pd3 P3 C33 -116.23(17) . . . . ?
C2 Pd3 P3 C33 46.96(15) . . . . ?
Pd2 Pd3 P3 C33 43.93(13) . . . . ?
Pd1 Pd3 P3 C33 -113.87(13) . . . . ?
Tl Pd3 P3 C33 142.02(12) . . . . ?
C3 Pd3 P3 C32 1.02(17) . . . . ?
C2 Pd3 P3 C32 164.21(15) . . . . ?
Pd2 Pd3 P3 C32 161.18(12) . . . . ?
Pd1 Pd3 P3 C32 3.39(14) . . . . ?
Tl Pd3 P3 C32 -100.72(12) . . . . ?
C6 Pd4 P4 C42 -4.75(16) . . . . ?
C4 Pd4 P4 C42 166.49(16) . . . . ?
Pd6 Pd4 P4 C42 -2.20(15) . . . . ?
Pd5 Pd4 P4 C42 164.61(12) . . . . ?
Tl Pd4 P4 C42 -102.38(13) . . . . ?
C6 Pd4 P4 C41 115.23(16) . . . . ?
C4 Pd4 P4 C41 -73.53(15) . . . . ?
Pd6 Pd4 P4 C41 117.78(13) . . . . ?
Pd5 Pd4 P4 C41 -75.41(13) . . . . ?
Tl Pd4 P4 C41 17.59(13) . . . . ?
C6 Pd4 P4 C43 -125.98(17) . . . . ?
C4 Pd4 P4 C43 45.26(17) . . . . ?
Pd6 Pd4 P4 C43 -123.43(14) . . . . ?
Pd5 Pd4 P4 C43 43.38(15) . . . . ?
Tl Pd4 P4 C43 136.39(13) . . . . ?
C5 Pd5 P5 C53 -155.98(18) . . . . ?
C4 Pd5 P5 C53 41.39(18) . . . . ?
Pd6 Pd5 P5 C53 -153.35(15) . . . . ?
Pd4 Pd5 P5 C53 44.97(16) . . . . ?
Tl Pd5 P5 C53 -57.74(16) . . . . ?
C5 Pd5 P5 C52 87.42(16) . . . . ?
C4 Pd5 P5 C52 -75.21(15) . . . . ?
Pd6 Pd5 P5 C52 90.05(13) . . . . ?
Pd4 Pd5 P5 C52 -71.63(13) . . . . ?
Tl Pd5 P5 C52 -174.34(12) . . . . ?
C5 Pd5 P5 C51 -32.11(16) . . . . ?
C4 Pd5 P5 C51 165.26(16) . . . . ?
Pd6 Pd5 P5 C51 -29.47(15) . . . . ?
Pd4 Pd5 P5 C51 168.84(13) . . . . ?
Tl Pd5 P5 C51 66.14(13) . . . . ?
C5 Pd6 P6 C62 47.31(16) . . . . ?
C6 Pd6 P6 C62 -150.85(16) . . . . ?
Pd5 Pd6 P6 C62 46.51(15) . . . . ?
Pd4 Pd6 P6 C62 -157.78(13) . . . . ?
Tl Pd6 P6 C62 -47.53(14) . . . . ?
C5 Pd6 P6 C63 -69.52(16) . . . . ?
C6 Pd6 P6 C63 92.32(16) . . . . ?
Pd5 Pd6 P6 C63 -70.31(14) . . . . ?
Pd4 Pd6 P6 C63 85.40(14) . . . . ?
Tl Pd6 P6 C63 -164.35(13) . . . . ?
C5 Pd6 P6 C61 172.44(16) . . . . ?
C6 Pd6 P6 C61 -25.72(16) . . . . ?
Pd5 Pd6 P6 C61 171.64(13) . . . . ?
Pd4 Pd6 P6 C61 -32.64(15) . . . . ?
Tl Pd6 P6 C61 77.61(14) . . . . ?
C3 Pd1 C1 O1 -132.4(4) . . . . ?
P1 Pd1 C1 O1 9.2(4) . . . . ?
Pd2 Pd1 C1 O1 -173.9(5) . . . . ?
Pd3 Pd1 C1 O1 -165.0(4) . . . . ?
Tl Pd1 C1 O1 134.8(4) . . . . ?
C3 Pd1 C1 Pd2 41.5(3) . . . . ?
P1 Pd1 C1 Pd2 -176.86(7) . . . . ?
Pd3 Pd1 C1 Pd2 8.91(11) . . . . ?
Tl Pd1 C1 Pd2 -51.25(8) . . . . ?
C2 Pd2 C1 O1 133.5(4) . . . . ?
P2 Pd2 C1 O1 -8.1(4) . . . . ?
Pd3 Pd2 C1 O1 165.0(4) . . . . ?
Pd1 Pd2 C1 O1 174.0(5) . . . . ?
Tl Pd2 C1 O1 -133.2(4) . . . . ?
C2 Pd2 C1 Pd1 -40.4(3) . . . . ?
P2 Pd2 C1 Pd1 177.99(7) . . . . ?
Pd3 Pd2 C1 Pd1 -9.00(11) . . . . ?
Tl Pd2 C1 Pd1 52.88(8) . . . . ?
C1 Pd2 C2 O2 -135.0(4) . . . . ?
P2 Pd2 C2 O2 6.7(5) . . . . ?
Pd3 Pd2 C2 O2 -174.6(5) . . . . ?
Pd1 Pd2 C2 O2 -166.8(4) . . . . ?
Tl Pd2 C2 O2 131.5(4) . . . . ?
C1 Pd2 C2 Pd3 39.6(3) . . . . ?
P2 Pd2 C2 Pd3 -178.73(6) . . . . ?
Pd1 Pd2 C2 Pd3 7.81(11) . . . . ?
Tl Pd2 C2 Pd3 -53.88(8) . . . . ?
C3 Pd3 C2 O2 135.0(4) . . . . ?
P3 Pd3 C2 O2 -3.3(4) . . . . ?
Pd2 Pd3 C2 O2 174.6(5) . . . . ?
Pd1 Pd3 C2 O2 166.9(4) . . . . ?
Tl Pd3 C2 O2 -132.7(4) . . . . ?
C3 Pd3 C2 Pd2 -39.6(4) . . . . ?
P3 Pd3 C2 Pd2 -177.91(7) . . . . ?
Pd1 Pd3 C2 Pd2 -7.76(11) . . . . ?
Tl Pd3 C2 Pd2 52.73(8) . . . . ?
C1 Pd1 C3 O3 130.0(5) . . . . ?
P1 Pd1 C3 O3 -11.6(6) . . . . ?
Pd2 Pd1 C3 O3 162.4(6) . . . . ?
Pd3 Pd1 C3 O3 171.8(7) . . . . ?
Tl Pd1 C3 O3 -137.7(6) . . . . ?
C1 Pd1 C3 Pd3 -41.8(4) . . . . ?
P1 Pd1 C3 Pd3 176.69(8) . . . . ?
Pd2 Pd1 C3 Pd3 -9.38(14) . . . . ?
Tl Pd1 C3 Pd3 50.52(10) . . . . ?
C2 Pd3 C3 O3 -131.1(5) . . . . ?
P3 Pd3 C3 O3 6.8(6) . . . . ?
Pd2 Pd3 C3 O3 -162.2(6) . . . . ?
Pd1 Pd3 C3 O3 -171.7(7) . . . . ?
Tl Pd3 C3 O3 137.3(6) . . . . ?
C2 Pd3 C3 Pd1 40.6(4) . . . . ?
P3 Pd3 C3 Pd1 178.48(8) . . . . ?
Pd2 Pd3 C3 Pd1 9.43(14) . . . . ?
Tl Pd3 C3 Pd1 -51.01(10) . . . . ?
C6 Pd4 C4 O4 151.8(4) . . . . ?
P4 Pd4 C4 O4 -2.6(4) . . . . ?
Pd6 Pd4 C4 O4 171.9(4) . . . . ?
Pd5 Pd4 C4 O4 176.1(5) . . . . ?
Tl Pd4 C4 O4 -134.0(4) . . . . ?
C6 Pd4 C4 Pd5 -24.3(4) . . . . ?
P4 Pd4 C4 Pd5 -178.68(7) . . . . ?
Pd6 Pd4 C4 Pd5 -4.23(11) . . . . ?
Tl Pd4 C4 Pd5 49.93(7) . . . . ?
C5 Pd5 C4 O4 -137.6(4) . . . . ?
P5 Pd5 C4 O4 1.0(4) . . . . ?
Pd6 Pd5 C4 O4 -172.2(4) . . . . ?
Pd4 Pd5 C4 O4 -176.4(5) . . . . ?
Tl Pd5 C4 O4 125.8(4) . . . . ?
C5 Pd5 C4 Pd4 38.8(3) . . . . ?
P5 Pd5 C4 Pd4 177.33(7) . . . . ?
Pd6 Pd5 C4 Pd4 4.20(11) . . . . ?
Tl Pd5 C4 Pd4 -57.86(8) . . . . ?
C4 Pd5 C5 O5 124.6(4) . . . . ?
P5 Pd5 C5 O5 -12.9(5) . . . . ?
Pd6 Pd5 C5 O5 168.6(5) . . . . ?
Pd4 Pd5 C5 O5 154.7(4) . . . . ?
Tl Pd5 C5 O5 -137.7(4) . . . . ?
C4 Pd5 C5 Pd6 -44.0(3) . . . . ?
P5 Pd5 C5 Pd6 178.48(6) . . . . ?
Pd4 Pd5 C5 Pd6 -13.86(11) . . . . ?
Tl Pd5 C5 Pd6 53.69(8) . . . . ?
C6 Pd6 C5 O5 -125.3(4) . . . . ?
P6 Pd6 C5 O5 11.4(4) . . . . ?
Pd5 Pd6 C5 O5 -169.1(5) . . . . ?
Pd4 Pd6 C5 O5 -155.2(4) . . . . ?
Tl Pd6 C5 O5 137.9(4) . . . . ?
C6 Pd6 C5 Pd5 43.8(3) . . . . ?
P6 Pd6 C5 Pd5 -179.47(7) . . . . ?
Pd4 Pd6 C5 Pd5 13.85(11) . . . . ?
Tl Pd6 C5 Pd5 -53.02(8) . . . . ?
C4 Pd4 C6 O6 -151.7(4) . . . . ?
P4 Pd4 C6 O6 2.3(5) . . . . ?
Pd6 Pd4 C6 O6 -176.1(5) . . . . ?
Pd5 Pd4 C6 O6 -171.5(4) . . . . ?
Tl Pd4 C6 O6 134.4(5) . . . . ?
C4 Pd4 C6 Pd6 24.5(4) . . . . ?
P4 Pd4 C6 Pd6 178.48(6) . . . . ?
Pd5 Pd4 C6 Pd6 4.62(11) . . . . ?
Tl Pd4 C6 Pd6 -49.49(7) . . . . ?
C5 Pd6 C6 O6 137.9(4) . . . . ?
P6 Pd6 C6 O6 1.3(4) . . . . ?
Pd5 Pd6 C6 O6 172.0(4) . . . . ?
Pd4 Pd6 C6 O6 176.6(5) . . . . ?
Tl Pd6 C6 O6 -126.7(4) . . . . ?
C5 Pd6 C6 Pd4 -38.7(3) . . . . ?
P6 Pd6 C6 Pd4 -175.30(7) . . . . ?
Pd5 Pd6 C6 Pd4 -4.59(11) . . . . ?
Tl Pd6 C6 Pd4 56.67(8) . . . . ?
C13 P1 C11 C14 -63.0(3) . . . . ?
C12 P1 C11 C14 -170.6(3) . . . . ?
Pd1 P1 C11 C14 62.8(3) . . . . ?
C13 P1 C12 C15 61.4(3) . . . . ?
C11 P1 C12 C15 169.8(3) . . . . ?
Pd1 P1 C12 C15 -64.2(3) . . . . ?
C11 P1 C13 C16 -51.8(4) . . . . ?
C12 P1 C13 C16 52.9(4) . . . . ?
Pd1 P1 C13 C16 -179.3(3) . . . . ?
C22 P2 C21 C24 60.4(4) . . . . ?
C23 P2 C21 C24 -48.0(4) . . . . ?
Pd2 P2 C21 C24 -175.6(3) . . . . ?
C23 P2 C22 C25 -75.2(3) . . . . ?
C21 P2 C22 C25 175.5(3) . . . . ?
Pd2 P2 C22 C25 49.5(3) . . . . ?
C22 P2 C23 C26 -171.5(3) . . . . ?
C21 P2 C23 C26 -63.5(3) . . . . ?
Pd2 P2 C23 C26 64.9(3) . . . . ?
C33 P3 C31 C34 174.0(3) . . . . ?
C32 P3 C31 C34 66.3(3) . . . . ?
Pd3 P3 C31 C34 -64.7(3) . . . . ?
C31 P3 C32 C35 50.3(3) . . . . ?
C33 P3 C32 C35 -55.6(3) . . . . ?
Pd3 P3 C32 C35 -176.3(2) . . . . ?
C31 P3 C33 C36 179.5(3) . . . . ?
C32 P3 C33 C36 -72.5(3) . . . . ?
Pd3 P3 C33 C36 51.7(3) . . . . ?
C42 P4 C41 C44 81.8(3) . . . . ?
C43 P4 C41 C44 -170.1(2) . . . . ?
Pd4 P4 C41 C44 -44.5(3) . . . . ?
C41 P4 C42 C45 166.1(2) . . . . ?
C43 P4 C42 C45 58.5(3) . . . . ?
Pd4 P4 C42 C45 -68.7(3) . . . . ?
C42 P4 C43 C46 51.3(3) . . . . ?
C41 P4 C43 C46 -56.9(3) . . . . ?
Pd4 P4 C43 C46 178.6(2) . . . . ?
C53 P5 C51 C54 -60.0(3) . . . . ?
C52 P5 C51 C54 47.7(3) . . . . ?
Pd5 P5 C51 C54 170.4(2) . . . . ?
C53 P5 C52 C55 174.1(3) . . . . ?
C51 P5 C52 C55 65.3(3) . . . . ?
Pd5 P5 C52 C55 -61.5(3) . . . . ?
C52 P5 C53 C56 -175.9(3) . . . . ?
C51 P5 C53 C56 -66.9(3) . . . . ?
Pd5 P5 C53 C56 63.4(3) . . . . ?
C62 P6 C61 C64 -50.8(3) . . . . ?
C63 P6 C61 C64 56.7(3) . . . . ?
Pd6 P6 C61 C64 177.4(2) . . . . ?
C63 P6 C62 C65 -169.3(3) . . . . ?
C61 P6 C62 C65 -60.9(3) . . . . ?
Pd6 P6 C62 C65 70.7(3) . . . . ?
C62 P6 C63 C66 165.7(3) . . . . ?
C61 P6 C63 C66 57.6(3) . . . . ?
Pd6 P6 C63 C66 -68.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        28.50
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         2.395
_refine_diff_density_min         -0.702
_refine_diff_density_rms         0.159