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# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_4


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_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H132 Cl2 P4 Pb2 Pt2, 2(Al Cl4)'

_chemical_formula_sum            'C36 H66 Al Cl5 P2 Pb Pt'
_chemical_formula_weight         1167.34

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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pca2(1)
_symmetry_space_group_name_Hall  'P 2c -2ac'

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

_cell_length_a                   25.2527(4)
_cell_length_b                   13.9068(2)
_cell_length_c                   24.7327(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8685.7(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9918
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      27.37

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4560
_exptl_absorpt_coefficient_mu    7.515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5992
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            57512
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0571
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         26.37
_reflns_number_total             13230
_reflns_number_gt                12122
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The 82 reported least-squares restraints as shown by 
 _refine_ls_number_restraints key are attributed to DELU keyword in 
 ShelXL input ('rigid bond' restraint for all bonds in the connectivity 
 list; standard values of 0.01 for both parameters s1 and s2 were used). 
 The displacement parameters of atoms Pb1a/b, Cl1a/b, Cl2a/b and Pb2a/b 
 as well as C21, C22 and C24 were restrained to the same value with similarity 
 restraint SIMU. The Uii displacement parameters of atoms Pb1a/b, Cl1a/b, 
 Cl2a/b and Pb2a/b as well as C21, C22 and C24 were restrained with 
 ISOR keyword to approximate isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0326P)²+30.6087P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.168(5)
_refine_ls_number_reflns         13230
_refine_ls_number_parameters     866
_refine_ls_number_restraints     82
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0380
_refine_ls_wR_factor_ref         0.0821
_refine_ls_wR_factor_gt          0.0800
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.527311(14) 0.40944(2) 0.50189(2) 0.01372(9) Uani 1 1 d . . .
Pb1A Pb 0.56952(8) 0.36546(11) 0.40909(4) 0.0162(3) Uani 0.894(9) 1 d PU A 1
Cl1A Cl 0.58141(16) 0.1774(3) 0.4430(2) 0.0201(9) Uani 0.894(9) 1 d PU A 1
Cl2A Cl 0.68074(17) 0.3410(2) 0.40823(16) 0.0231(8) Uani 0.894(9) 1 d PU A 1
Pb2A Pb 0.68966(8) 0.15160(14) 0.43391(7) 0.0153(2) Uani 0.894(9) 1 d PU A 1
Pb1B Pb 0.5529(7) 0.3410(13) 0.4062(4) 0.038(2) Uani 0.106(9) 1 d P A 2
Cl1B Cl 0.5686(17) 0.161(3) 0.446(2) 0.022(4) Uani 0.106(9) 1 d PU A 2
Cl2B Cl 0.6574(15) 0.333(2) 0.4019(14) 0.026(4) Uani 0.106(9) 1 d PU A 2
Pb2B Pb 0.6764(6) 0.1471(13) 0.4324(8) 0.021(2) Uani 0.106(9) 1 d PU A 2
P1A P 0.59488(10) 0.50617(18) 0.53174(12) 0.0145(6) Uani 1 1 d . A .
Pt2 Pt 0.717436(14) 0.10675(2) 0.33575(2) 0.01203(8) Uani 1 1 d . . .
P2 P 0.45145(9) 0.31475(17) 0.49907(12) 0.0169(5) Uani 1 1 d . A .
P3 P 0.64543(10) 0.01736(17) 0.30849(11) 0.0125(5) Uani 1 1 d . A .
P4 P 0.79617(9) 0.19297(16) 0.33606(11) 0.0138(5) Uani 1 1 d . A .
Al11 Al 0.50800(13) 0.5503(2) 0.28742(15) 0.0275(8) Uani 1 1 d . . .
Cl11 Cl 0.50780(15) 0.6944(2) 0.2615(2) 0.0780(16) Uani 1 1 d . . .
Al12 Al 0.22576(13) 0.0649(3) 0.56559(15) 0.0321(9) Uani 1 1 d . . .
Cl12 Cl 0.47751(13) 0.5314(3) 0.36851(15) 0.0608(11) Uani 1 1 d . . .
Cl13 Cl 0.46028(14) 0.4655(2) 0.23526(14) 0.0465(9) Uani 1 1 d . . .
Cl14 Cl 0.58698(12) 0.4956(2) 0.29010(14) 0.0365(7) Uani 1 1 d . . .
Cl15 Cl 0.14949(15) -0.0018(4) 0.5566(2) 0.0848(17) Uani 1 1 d . . .
Cl16 Cl 0.2220(2) 0.1977(3) 0.60469(17) 0.0827(16) Uani 1 1 d . . .
Cl17 Cl 0.25486(12) 0.0803(2) 0.48524(12) 0.0397(8) Uani 1 1 d . . .
Cl18 Cl 0.27325(12) -0.0308(2) 0.61190(13) 0.0387(7) Uani 1 1 d . . .
C21 C 0.6299(4) -0.1491(7) 0.2411(5) 0.021(2) Uani 1 1 d U A .
H21A H 0.6107 -0.1855 0.2694 0.025 Uiso 1 1 calc R . .
H21B H 0.6037 -0.1099 0.2210 0.025 Uiso 1 1 calc R . .
C22 C 0.7125(4) -0.1440(7) 0.2981(4) 0.0176(19) Uani 1 1 d U A .
H22A H 0.7395 -0.1016 0.3146 0.021 Uiso 1 1 calc R . .
H22B H 0.6950 -0.1806 0.3273 0.021 Uiso 1 1 calc R . .
C23 C 0.8137(4) 0.0413(7) 0.2622(4) 0.021(2) Uani 1 1 d . A .
H23A H 0.8187 -0.0033 0.2930 0.026 Uiso 1 1 calc R . .
H23B H 0.7753 0.0446 0.2541 0.026 Uiso 1 1 calc R . .
C24 C 0.6711(4) -0.0827(7) 0.2676(4) 0.0156(17) Uani 1 1 d U . .
H24A H 0.6908 -0.0521 0.2370 0.019 Uiso 1 1 calc R A .
C25 C 0.8787(4) 0.0700(7) 0.4664(4) 0.022(2) Uani 1 1 d . . .
H25A H 0.8757 0.0036 0.4805 0.026 Uiso 1 1 calc R . .
H25B H 0.9161 0.0809 0.4560 0.026 Uiso 1 1 calc R . .
C26 C 0.6568(4) 0.6269(7) 0.3895(5) 0.025(3) Uani 1 1 d . . .
H26A H 0.6656 0.5633 0.3739 0.030 Uiso 1 1 calc R . .
H26B H 0.6409 0.6668 0.3606 0.030 Uiso 1 1 calc R . .
C27 C 0.6415(4) 0.5549(7) 0.4810(4) 0.021(2) Uani 1 1 d . . .
H27A H 0.6564 0.4968 0.4626 0.025 Uiso 1 1 calc R A .
C28 C 0.6165(4) 0.6137(7) 0.4353(4) 0.021(2) Uani 1 1 d . A .
H28A H 0.6053 0.6773 0.4492 0.025 Uiso 1 1 calc R . .
H28B H 0.5847 0.5801 0.4215 0.025 Uiso 1 1 calc R . .
C29 C 0.5823(4) -0.1121(8) 0.4472(4) 0.023(2) Uani 1 1 d . . .
H29A H 0.5978 -0.1613 0.4715 0.028 Uiso 1 1 calc R . .
H29B H 0.5775 -0.0522 0.4683 0.028 Uiso 1 1 calc R . .
C30 C 0.7064(4) 0.6739(8) 0.4094(5) 0.028(3) Uani 1 1 d . A .
H30A H 0.6984 0.7411 0.4199 0.034 Uiso 1 1 calc R . .
H30B H 0.7326 0.6758 0.3796 0.034 Uiso 1 1 calc R . .
C31 C 0.8255(4) 0.2545(8) 0.4419(5) 0.026(2) Uani 1 1 d . A .
H31A H 0.7888 0.2407 0.4538 0.031 Uiso 1 1 calc R . .
H31B H 0.8268 0.3219 0.4291 0.031 Uiso 1 1 calc R . .
C32 C 0.4177(4) 0.2880(8) 0.4332(5) 0.027(2) Uani 1 1 d . . .
H32A H 0.4088 0.3523 0.4176 0.032 Uiso 1 1 calc R A .
C33 C 0.8427(4) 0.0817(7) 0.4164(4) 0.018(2) Uani 1 1 d . A .
H33A H 0.8065 0.0597 0.4256 0.022 Uiso 1 1 calc R . .
H33B H 0.8562 0.0403 0.3869 0.022 Uiso 1 1 calc R . .
C34 C 0.6205(4) -0.0931(7) 0.3996(4) 0.018(2) Uani 1 1 d . A .
H34A H 0.6538 -0.0652 0.4136 0.022 Uiso 1 1 calc R . .
H34B H 0.6292 -0.1547 0.3816 0.022 Uiso 1 1 calc R . .
C35 C 0.7889(4) 0.3229(6) 0.3232(4) 0.016(2) Uani 1 1 d . . .
H35A H 0.7723 0.3496 0.3568 0.019 Uiso 1 1 calc R A .
C36 C 0.8633(4) 0.1401(7) 0.5098(5) 0.027(3) Uani 1 1 d . A .
H36A H 0.8274 0.1240 0.5230 0.033 Uiso 1 1 calc R . .
H36B H 0.8881 0.1338 0.5406 0.033 Uiso 1 1 calc R . .
C37 C 0.5281(4) -0.1473(8) 0.4263(4) 0.023(2) Uani 1 1 d . A .
H37A H 0.5323 -0.2119 0.4100 0.028 Uiso 1 1 calc R . .
H37B H 0.5033 -0.1530 0.4570 0.028 Uiso 1 1 calc R . .
C38 C 0.5967(4) -0.0254(6) 0.3588(4) 0.013(2) Uani 1 1 d . . .
H38A H 0.5868 0.0331 0.3800 0.016 Uiso 1 1 calc R A .
C39 C 0.8341(4) 0.1433(7) 0.2782(4) 0.017(2) Uani 1 1 d . . .
H39A H 0.8264 0.1862 0.2466 0.021 Uiso 1 1 calc R A .
C40 C 0.8403(4) 0.1877(7) 0.3962(4) 0.019(2) Uani 1 1 d . . .
H40A H 0.8767 0.2059 0.3840 0.023 Uiso 1 1 calc R A .
C41 C 0.4008(4) 0.3806(7) 0.5391(5) 0.023(2) Uani 1 1 d . . .
H41A H 0.3722 0.3338 0.5484 0.027 Uiso 1 1 calc R A .
C42 C 0.6388(4) 0.3313(7) 0.6607(4) 0.023(2) Uani 1 1 d . . .
H42A H 0.6633 0.3742 0.6805 0.028 Uiso 1 1 calc R . .
H42B H 0.6159 0.2990 0.6877 0.028 Uiso 1 1 calc R . .
C43 C 0.4610(4) 0.1968(7) 0.5332(4) 0.018(2) Uani 1 1 d . . .
H43A H 0.4673 0.1486 0.5039 0.021 Uiso 1 1 calc R A .
C44 C 0.5442(4) -0.0637(8) 0.3367(5) 0.026(2) Uani 1 1 d . A .
H44A H 0.5501 -0.1251 0.3173 0.031 Uiso 1 1 calc R . .
H44B H 0.5288 -0.0169 0.3109 0.031 Uiso 1 1 calc R . .
C45 C 0.3657(4) 0.2370(8) 0.4384(5) 0.029(3) Uani 1 1 d . A .
H45A H 0.3423 0.2734 0.4632 0.035 Uiso 1 1 calc R . .
H45B H 0.3715 0.1724 0.4541 0.035 Uiso 1 1 calc R . .
C46 C 0.6038(4) 0.3924(7) 0.6221(4) 0.021(2) Uani 1 1 d . A .
H46A H 0.5768 0.3510 0.6048 0.026 Uiso 1 1 calc R . .
H46B H 0.5853 0.4432 0.6428 0.026 Uiso 1 1 calc R . .
C47 C 0.5054(4) -0.0799(8) 0.3850(5) 0.027(3) Uani 1 1 d . . .
H47A H 0.4976 -0.0174 0.4023 0.032 Uiso 1 1 calc R A .
H47B H 0.4717 -0.1066 0.3712 0.032 Uiso 1 1 calc R . .
C48 C 0.3386(5) 0.2270(9) 0.3829(5) 0.038(3) Uani 1 1 d . . .
H48A H 0.3058 0.1886 0.3871 0.046 Uiso 1 1 calc R A .
H48B H 0.3283 0.2916 0.3698 0.046 Uiso 1 1 calc R . .
C49 C 0.8405(4) 0.3770(7) 0.3168(5) 0.028(3) Uani 1 1 d . A .
H49A H 0.8585 0.3563 0.2831 0.033 Uiso 1 1 calc R . .
H49B H 0.8642 0.3628 0.3476 0.033 Uiso 1 1 calc R . .
C50 C 0.6904(4) 0.6080(8) 0.5034(5) 0.027(3) Uani 1 1 d . A .
H50A H 0.6797 0.6714 0.5181 0.033 Uiso 1 1 calc R . .
H50B H 0.7065 0.5702 0.5330 0.033 Uiso 1 1 calc R . .
C51 C 0.5814(4) 0.1762(7) 0.2912(4) 0.023(2) Uani 1 1 d . A .
H51A H 0.6089 0.2144 0.3100 0.027 Uiso 1 1 calc R . .
H51B H 0.5565 0.1510 0.3187 0.027 Uiso 1 1 calc R . .
C52 C 0.6391(4) 0.4381(7) 0.5789(4) 0.017(2) Uani 1 1 d . . .
H52A H 0.6639 0.4843 0.5967 0.020 Uiso 1 1 calc R A .
C53 C 0.5644(4) 0.6024(7) 0.5709(5) 0.022(2) Uani 1 1 d . . .
H53A H 0.5417 0.5687 0.5981 0.026 Uiso 1 1 calc R A .
C54 C 0.6074(4) 0.0918(7) 0.2601(4) 0.016(2) Uani 1 1 d . . .
H54A H 0.5787 0.0512 0.2441 0.019 Uiso 1 1 calc R A .
C55 C 0.7048(4) 0.3030(8) 0.5873(5) 0.026(3) Uani 1 1 d . . .
H55A H 0.7317 0.3444 0.6047 0.032 Uiso 1 1 calc R A .
H55B H 0.7234 0.2529 0.5662 0.032 Uiso 1 1 calc R . .
C56 C 0.6425(4) 0.1296(7) 0.2142(4) 0.022(2) Uani 1 1 d . A .
H56A H 0.6726 0.1654 0.2300 0.027 Uiso 1 1 calc R . .
H56B H 0.6571 0.0743 0.1939 0.027 Uiso 1 1 calc R . .
C57 C 0.5265(5) 0.6623(8) 0.5383(5) 0.032(3) Uani 1 1 d . A .
H57A H 0.5007 0.6194 0.5203 0.039 Uiso 1 1 calc R . .
H57B H 0.5464 0.6967 0.5098 0.039 Uiso 1 1 calc R . .
C58 C 0.6705(5) 0.2561(9) 0.6302(5) 0.035(3) Uani 1 1 d . A .
H58A H 0.6460 0.2097 0.6129 0.042 Uiso 1 1 calc R . .
H58B H 0.6932 0.2203 0.6559 0.042 Uiso 1 1 calc R . .
C59 C 0.3750(4) 0.4642(7) 0.5088(5) 0.025(2) Uani 1 1 d . A .
H59A H 0.3585 0.4403 0.4750 0.030 Uiso 1 1 calc R . .
H59B H 0.4023 0.5122 0.4989 0.030 Uiso 1 1 calc R . .
C60 C 0.8289(5) 0.4871(8) 0.3143(5) 0.035(3) Uani 1 1 d . . .
H60A H 0.8141 0.5085 0.3494 0.042 Uiso 1 1 calc R A .
H60B H 0.8624 0.5224 0.3080 0.042 Uiso 1 1 calc R . .
C61 C 0.7304(5) 0.6216(9) 0.4575(5) 0.038(3) Uani 1 1 d . . .
H61A H 0.7611 0.6586 0.4711 0.046 Uiso 1 1 calc R A .
H61B H 0.7434 0.5578 0.4456 0.046 Uiso 1 1 calc R . .
C62 C 0.5510(4) 0.2412(7) 0.2500(5) 0.025(2) Uani 1 1 d . . .
H62A H 0.5221 0.2037 0.2331 0.030 Uiso 1 1 calc R A .
H62B H 0.5349 0.2963 0.2694 0.030 Uiso 1 1 calc R . .
C63 C 0.8946(4) 0.1416(7) 0.2842(4) 0.021(2) Uani 1 1 d . A .
H63A H 0.9075 0.2080 0.2902 0.026 Uiso 1 1 calc R . .
H63B H 0.9040 0.1030 0.3164 0.026 Uiso 1 1 calc R . .
C64 C 0.4242(4) 0.0613(7) 0.5919(5) 0.025(2) Uani 1 1 d . . .
H64A H 0.4284 0.0129 0.5629 0.031 Uiso 1 1 calc R A .
H64B H 0.3937 0.0421 0.6145 0.031 Uiso 1 1 calc R . .
C65 C 0.3833(4) 0.4679(7) 0.6276(5) 0.026(3) Uani 1 1 d . . .
H65A H 0.3566 0.4204 0.6397 0.031 Uiso 1 1 calc R A .
H65B H 0.4006 0.4946 0.6603 0.031 Uiso 1 1 calc R . .
C66 C 0.4241(5) 0.2319(9) 0.3364(5) 0.040(3) Uani 1 1 d . . .
H66A H 0.4179 0.2973 0.3219 0.049 Uiso 1 1 calc R A .
H66B H 0.4469 0.1967 0.3105 0.049 Uiso 1 1 calc R . .
C67 C 0.4134(4) 0.1587(7) 0.5670(5) 0.022(2) Uani 1 1 d . A .
H67A H 0.4053 0.2053 0.5960 0.026 Uiso 1 1 calc R . .
H67B H 0.3819 0.1540 0.5433 0.026 Uiso 1 1 calc R . .
C68 C 0.3726(4) 0.1810(8) 0.3423(5) 0.032(3) Uani 1 1 d . A .
H68A H 0.3541 0.1803 0.3071 0.039 Uiso 1 1 calc R . .
H68B H 0.3793 0.1135 0.3531 0.039 Uiso 1 1 calc R . .
C69 C 0.7494(4) 0.3421(7) 0.2788(5) 0.028(3) Uani 1 1 d . A .
H69A H 0.7156 0.3089 0.2869 0.033 Uiso 1 1 calc R . .
H69B H 0.7632 0.3171 0.2440 0.033 Uiso 1 1 calc R . .
C70 C 0.5876(5) 0.2778(8) 0.2070(4) 0.028(3) Uani 1 1 d . A .
H70A H 0.6154 0.3182 0.2237 0.033 Uiso 1 1 calc R . .
H70B H 0.5674 0.3184 0.1813 0.033 Uiso 1 1 calc R . .
C71 C 0.4515(4) 0.2385(10) 0.3904(5) 0.045(4) Uani 1 1 d . A .
H71A H 0.4850 0.2746 0.3860 0.053 Uiso 1 1 calc R . .
H71B H 0.4604 0.1729 0.4029 0.053 Uiso 1 1 calc R . .
C72 C 0.8431(4) 0.0030(8) 0.2130(4) 0.023(2) Uani 1 1 d . . .
H72A H 0.8346 0.0435 0.1813 0.028 Uiso 1 1 calc R A .
H72B H 0.8309 -0.0632 0.2052 0.028 Uiso 1 1 calc R . .
C73 C 0.8637(4) 0.2419(8) 0.4903(5) 0.034(3) Uani 1 1 d . . .
H73A H 0.9001 0.2597 0.4791 0.041 Uiso 1 1 calc R A .
H73B H 0.8529 0.2852 0.5201 0.041 Uiso 1 1 calc R . .
C74 C 0.6138(4) 0.1937(8) 0.1759(4) 0.023(2) Uani 1 1 d . . .
H74A H 0.5863 0.1565 0.1566 0.028 Uiso 1 1 calc R A .
H74B H 0.6389 0.2195 0.1488 0.028 Uiso 1 1 calc R . .
C75 C 0.3562(4) 0.5467(8) 0.5983(5) 0.035(3) Uani 1 1 d . A .
H75A H 0.3818 0.5989 0.5910 0.042 Uiso 1 1 calc R . .
H75B H 0.3276 0.5732 0.6213 0.042 Uiso 1 1 calc R . .
C76 C 0.9035(4) 0.0020(8) 0.2215(5) 0.028(3) Uani 1 1 d . A .
H76A H 0.9127 -0.0429 0.2512 0.034 Uiso 1 1 calc R . .
H76B H 0.9213 -0.0204 0.1882 0.034 Uiso 1 1 calc R . .
C77 C 0.9219(4) 0.0999(8) 0.2352(4) 0.025(2) Uani 1 1 d . . .
H77A H 0.9157 0.1427 0.2039 0.030 Uiso 1 1 calc R A .
H77B H 0.9605 0.0981 0.2420 0.030 Uiso 1 1 calc R . .
C78 C 0.5219(4) 0.0966(7) 0.5931(4) 0.021(2) Uani 1 1 d . . .
H78A H 0.5538 0.0997 0.6163 0.025 Uiso 1 1 calc R A .
H78B H 0.5288 0.0500 0.5637 0.025 Uiso 1 1 calc R . .
C79 C 0.4965(5) 0.7356(9) 0.5729(5) 0.039(3) Uani 1 1 d . . .
H79A H 0.4744 0.7765 0.5491 0.047 Uiso 1 1 calc R A .
H79B H 0.4726 0.7011 0.5980 0.047 Uiso 1 1 calc R . .
C80 C 0.4255(4) 0.4158(7) 0.5927(4) 0.023(2) Uani 1 1 d . A .
H80A H 0.4551 0.4603 0.5849 0.028 Uiso 1 1 calc R . .
H80B H 0.4399 0.3602 0.6130 0.028 Uiso 1 1 calc R . .
C81 C 0.6709(4) 0.3629(8) 0.5499(5) 0.027(3) Uani 1 1 d . A .
H81A H 0.6941 0.3948 0.5230 0.032 Uiso 1 1 calc R . .
H81B H 0.6465 0.3199 0.5300 0.032 Uiso 1 1 calc R . .
C82 C 0.4743(4) 0.0630(8) 0.6267(5) 0.027(3) Uani 1 1 d . A .
H82A H 0.4813 -0.0022 0.6411 0.033 Uiso 1 1 calc R . .
H82B H 0.4692 0.1070 0.6577 0.033 Uiso 1 1 calc R . .
C83 C 0.5341(5) 0.7993(9) 0.6054(6) 0.047(4) Uani 1 1 d . A .
H83A H 0.5555 0.8393 0.5805 0.056 Uiso 1 1 calc R . .
H83B H 0.5134 0.8427 0.6290 0.056 Uiso 1 1 calc R . .
C84 C 0.7911(4) 0.5098(8) 0.2707(6) 0.040(3) Uani 1 1 d . A .
H84A H 0.8080 0.4963 0.2355 0.047 Uiso 1 1 calc R . .
H84B H 0.7827 0.5793 0.2720 0.047 Uiso 1 1 calc R . .
C85 C 0.6004(5) 0.6651(8) 0.6037(6) 0.038(3) Uani 1 1 d . A .
H85A H 0.6240 0.7009 0.5789 0.045 Uiso 1 1 calc R . .
H85B H 0.6228 0.6239 0.6269 0.045 Uiso 1 1 calc R . .
C86 C 0.3325(4) 0.5118(8) 0.5447(5) 0.028(3) Uani 1 1 d . . .
H86A H 0.3168 0.5670 0.5252 0.033 Uiso 1 1 calc R A .
H86B H 0.3039 0.4649 0.5522 0.033 Uiso 1 1 calc R . .
C87 C 0.7397(5) 0.4532(7) 0.2743(6) 0.041(3) Uani 1 1 d . . .
H87A H 0.7181 0.4665 0.2418 0.049 Uiso 1 1 calc R A .
H87B H 0.7195 0.4751 0.3063 0.049 Uiso 1 1 calc R . .
C88 C 0.5107(4) 0.1960(6) 0.5689(4) 0.017(2) Uani 1 1 d . A .
H88A H 0.5416 0.2164 0.5471 0.020 Uiso 1 1 calc R . .
H88B H 0.5062 0.2430 0.5986 0.020 Uiso 1 1 calc R . .
C89 C 0.5705(5) 0.7376(9) 0.6396(6) 0.044(4) Uani 1 1 d . . .
H89A H 0.5494 0.7025 0.6670 0.052 Uiso 1 1 calc R A .
H89B H 0.5962 0.7791 0.6588 0.052 Uiso 1 1 calc R . .
C90 C 0.7394(4) -0.2141(7) 0.2583(5) 0.022(2) Uani 1 1 d . . .
H90A H 0.7592 -0.1769 0.2308 0.027 Uiso 1 1 calc R A .
H90B H 0.7651 -0.2545 0.2783 0.027 Uiso 1 1 calc R . .
C91 C 0.6992(4) -0.2789(7) 0.2300(4) 0.021(2) Uani 1 1 d . A .
H91A H 0.7175 -0.3193 0.2029 0.025 Uiso 1 1 calc R . .
H91B H 0.6824 -0.3220 0.2569 0.025 Uiso 1 1 calc R . .
C92 C 0.6569(4) -0.2192(8) 0.2023(5) 0.030(3) Uani 1 1 d . . .
H92A H 0.6299 -0.2627 0.1867 0.036 Uiso 1 1 calc R A .
H92B H 0.6732 -0.1826 0.1723 0.036 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1A 2.295(3) . ?
Pt1 P2 2.326(2) . ?
Pt1 Pb1A 2.6034(10) . ?
Pt1 Pb1B 2.631(10) . ?
Pb1A Cl1A 2.763(4) . ?
Pb1A Cl2A 2.829(3) . ?
Cl1A Pb2A 2.766(4) . ?
Cl2A Pb2A 2.719(4) . ?
Pb2A Pt2 2.603(2) . ?
Pb1B Cl2B 2.64(3) . ?
Pb1B Cl1B 2.72(5) . ?
Cl1B Pb2B 2.75(4) . ?
Cl2B Pb2B 2.74(4) . ?
Pb2B Pt2 2.66(2) . ?
P1A C53 1.822(10) . ?
P1A C27 1.850(10) . ?
P1A C52 1.871(10) . ?
Pt2 P3 2.304(3) . ?
Pt2 P4 2.322(2) . ?
P2 C41 1.858(10) . ?
P2 C43 1.860(10) . ?
P2 C32 1.876(12) . ?
P3 C24 1.839(9) . ?
P3 C38 1.849(10) . ?
P3 C54 1.851(10) . ?
P4 C35 1.843(9) . ?
P4 C39 1.856(10) . ?
P4 C40 1.860(10) . ?
Al11 Cl11 2.104(5) . ?
Al11 Cl13 2.123(5) . ?
Al11 Cl14 2.135(5) . ?
Al11 Cl12 2.164(5) . ?
Al12 Cl16 2.087(5) . ?
Al12 Cl18 2.126(4) . ?
Al12 Cl17 2.130(5) . ?
Al12 Cl15 2.149(6) . ?
C21 C92 1.528(15) . ?
C21 C24 1.540(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C90 1.541(14) . ?
C22 C24 1.545(13) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C72 1.521(14) . ?
C23 C39 1.560(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 1.0000 . ?
C25 C36 1.500(15) . ?
C25 C33 1.543(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C30 1.496(15) . ?
C26 C28 1.535(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.531(13) . ?
C27 C50 1.541(13) . ?
C27 H27A 1.0000 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C37 1.542(13) . ?
C29 C34 1.546(14) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C61 1.521(16) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C40 1.509(13) . ?
C31 C73 1.547(15) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C45 1.498(13) . ?
C32 C71 1.524(16) . ?
C32 H32A 1.0000 . ?
C33 C40 1.559(13) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C38 1.504(13) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C69 1.507(15) . ?
C35 C49 1.515(14) . ?
C35 H35A 1.0000 . ?
C36 C73 1.495(15) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C47 1.501(14) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C44 1.531(13) . ?
C38 H38A 1.0000 . ?
C39 C63 1.535(14) . ?
C39 H39A 1.0000 . ?
C40 H40A 1.0000 . ?
C41 C59 1.530(14) . ?
C41 C80 1.546(15) . ?
C41 H41A 1.0000 . ?
C42 C58 1.518(16) . ?
C42 C46 1.554(14) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C88 1.536(13) . ?
C43 C67 1.556(13) . ?
C43 H43A 1.0000 . ?
C44 C47 1.561(15) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C48 1.540(16) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C52 1.530(14) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C68 1.467(16) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C60 1.560(14) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C61 1.533(16) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C54 1.550(13) . ?
C51 C62 1.563(14) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C81 1.501(15) . ?
C52 H52A 1.0000 . ?
C53 C85 1.498(15) . ?
C53 C57 1.502(14) . ?
C53 H53A 1.0000 . ?
C54 C56 1.534(14) . ?
C54 H54A 1.0000 . ?
C55 C81 1.509(14) . ?
C55 C58 1.518(15) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C74 1.490(14) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C79 1.531(15) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C86 1.543(14) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 C84 1.474(17) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C70 1.499(15) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C77 1.511(14) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C67 1.513(14) . ?
C64 C82 1.530(15) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C75 1.483(16) . ?
C65 C80 1.552(14) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C68 1.488(15) . ?
C66 C71 1.507(17) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C69 C87 1.569(13) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C74 1.548(14) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C76 1.540(14) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C86 1.532(16) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.478(15) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C88 1.532(13) . ?
C78 C82 1.534(14) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C83 1.528(18) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C89 1.514(18) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C87 1.519(16) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C89 1.542(15) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 C91 1.527(14) . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
C91 C92 1.515(14) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?

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
P1A Pt1 P2 162.56(10) . . ?
P1A Pt1 Pb1A 96.71(9) . . ?
P2 Pt1 Pb1A 100.24(9) . . ?
P1A Pt1 Pb1B 108.6(5) . . ?
P2 Pt1 Pb1B 88.3(5) . . ?
Pb1A Pt1 Pb1B 11.9(5) . . ?
Pt1 Pb1A Cl1A 89.96(10) . . ?
Pt1 Pb1A Cl2A 116.19(9) . . ?
Cl1A Pb1A Cl2A 77.32(10) . . ?
Pb1A Cl1A Pb2A 101.86(11) . . ?
Pb2A Cl2A Pb1A 101.36(10) . . ?
Pt2 Pb2A Cl2A 92.09(10) . . ?
Pt2 Pb2A Cl1A 111.91(13) . . ?
Cl2A Pb2A Cl1A 79.14(11) . . ?
Pt1 Pb1B Cl2B 107.2(9) . . ?
Pt1 Pb1B Cl1B 92.6(11) . . ?
Cl2B Pb1B Cl1B 80.3(11) . . ?
Pb1B Cl1B Pb2B 99.5(13) . . ?
Pb1B Cl2B Pb2B 101.7(10) . . ?
Pt2 Pb2B Cl1B 120.6(13) . . ?
Pt2 Pb2B Cl2B 91.2(10) . . ?
Cl1B Pb2B Cl2B 78.1(12) . . ?
C53 P1A C27 111.1(5) . . ?
C53 P1A C52 107.0(5) . . ?
C27 P1A C52 103.2(4) . . ?
C53 P1A Pt1 106.7(3) . . ?
C27 P1A Pt1 118.0(4) . . ?
C52 P1A Pt1 110.3(3) . . ?
P3 Pt2 P4 162.87(10) . . ?
P3 Pt2 Pb2A 100.93(9) . . ?
P4 Pt2 Pb2A 95.96(9) . . ?
P3 Pt2 Pb2B 94.0(4) . . ?
P4 Pt2 Pb2B 102.8(4) . . ?
Pb2A Pt2 Pb2B 7.3(3) . . ?
C41 P2 C43 106.4(5) . . ?
C41 P2 C32 104.3(5) . . ?
C43 P2 C32 106.1(5) . . ?
C41 P2 Pt1 105.8(3) . . ?
C43 P2 Pt1 112.3(3) . . ?
C32 P2 Pt1 120.9(3) . . ?
C24 P3 C38 111.2(4) . . ?
C24 P3 C54 104.5(4) . . ?
C38 P3 C54 105.6(4) . . ?
C24 P3 Pt2 106.9(3) . . ?
C38 P3 Pt2 120.1(3) . . ?
C54 P3 Pt2 107.3(3) . . ?
C35 P4 C39 106.5(4) . . ?
C35 P4 C40 103.6(4) . . ?
C39 P4 C40 107.1(5) . . ?
C35 P4 Pt2 114.8(3) . . ?
C39 P4 Pt2 104.3(3) . . ?
C40 P4 Pt2 119.7(3) . . ?
Cl11 Al11 Cl13 110.0(2) . . ?
Cl11 Al11 Cl14 110.5(2) . . ?
Cl13 Al11 Cl14 110.6(2) . . ?
Cl11 Al11 Cl12 113.4(2) . . ?
Cl13 Al11 Cl12 107.1(2) . . ?
Cl14 Al11 Cl12 105.1(2) . . ?
Cl16 Al12 Cl18 109.3(2) . . ?
Cl16 Al12 Cl17 111.0(2) . . ?
Cl18 Al12 Cl17 111.80(19) . . ?
Cl16 Al12 Cl15 112.9(3) . . ?
Cl18 Al12 Cl15 106.9(2) . . ?
Cl17 Al12 Cl15 104.9(2) . . ?
C92 C21 C24 110.3(8) . . ?
C92 C21 H21A 109.6 . . ?
C24 C21 H21A 109.6 . . ?
C92 C21 H21B 109.6 . . ?
C24 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C90 C22 C24 109.6(8) . . ?
C90 C22 H22A 109.8 . . ?
C24 C22 H22A 109.8 . . ?
C90 C22 H22B 109.8 . . ?
C24 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C72 C23 C39 111.1(8) . . ?
C72 C23 H23A 109.4 . . ?
C39 C23 H23A 109.4 . . ?
C72 C23 H23B 109.4 . . ?
C39 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C21 C24 C22 109.6(8) . . ?
C21 C24 P3 116.7(7) . . ?
C22 C24 P3 112.8(7) . . ?
C21 C24 H24A 105.6 . . ?
C22 C24 H24A 105.6 . . ?
P3 C24 H24A 105.6 . . ?
C36 C25 C33 110.5(8) . . ?
C36 C25 H25A 109.5 . . ?
C33 C25 H25A 109.5 . . ?
C36 C25 H25B 109.5 . . ?
C33 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C30 C26 C28 111.4(9) . . ?
C30 C26 H26A 109.3 . . ?
C28 C26 H26A 109.3 . . ?
C30 C26 H26B 109.3 . . ?
C28 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C28 C27 C50 109.9(8) . . ?
C28 C27 P1A 115.7(7) . . ?
C50 C27 P1A 116.2(8) . . ?
C28 C27 H27A 104.5 . . ?
C50 C27 H27A 104.5 . . ?
P1A C27 H27A 104.5 . . ?
C27 C28 C26 109.5(8) . . ?
C27 C28 H28A 109.8 . . ?
C26 C28 H28A 109.8 . . ?
C27 C28 H28B 109.8 . . ?
C26 C28 H28B 109.8 . . ?
H28A C28 H28B 108.2 . . ?
C37 C29 C34 110.6(9) . . ?
C37 C29 H29A 109.5 . . ?
C34 C29 H29A 109.5 . . ?
C37 C29 H29B 109.5 . . ?
C34 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C26 C30 C61 112.4(9) . . ?
C26 C30 H30A 109.1 . . ?
C61 C30 H30A 109.1 . . ?
C26 C30 H30B 109.1 . . ?
C61 C30 H30B 109.1 . . ?
H30A C30 H30B 107.9 . . ?
C40 C31 C73 110.7(8) . . ?
C40 C31 H31A 109.5 . . ?
C73 C31 H31A 109.5 . . ?
C40 C31 H31B 109.5 . . ?
C73 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C45 C32 C71 109.7(9) . . ?
C45 C32 P2 114.7(8) . . ?
C71 C32 P2 116.0(8) . . ?
C45 C32 H32A 105.1 . . ?
C71 C32 H32A 105.1 . . ?
P2 C32 H32A 105.1 . . ?
C25 C33 C40 112.4(8) . . ?
C25 C33 H33A 109.1 . . ?
C40 C33 H33A 109.1 . . ?
C25 C33 H33B 109.1 . . ?
C40 C33 H33B 109.1 . . ?
H33A C33 H33B 107.9 . . ?
C38 C34 C29 111.6(8) . . ?
C38 C34 H34A 109.3 . . ?
C29 C34 H34A 109.3 . . ?
C38 C34 H34B 109.3 . . ?
C29 C34 H34B 109.3 . . ?
H34A C34 H34B 108.0 . . ?
C69 C35 C49 113.8(9) . . ?
C69 C35 P4 111.4(7) . . ?
C49 C35 P4 114.8(7) . . ?
C69 C35 H35A 105.3 . . ?
C49 C35 H35A 105.3 . . ?
P4 C35 H35A 105.3 . . ?
C73 C36 C25 112.5(10) . . ?
C73 C36 H36A 109.1 . . ?
C25 C36 H36A 109.1 . . ?
C73 C36 H36B 109.1 . . ?
C25 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
C47 C37 C29 111.7(8) . . ?
C47 C37 H37A 109.3 . . ?
C29 C37 H37A 109.3 . . ?
C47 C37 H37B 109.3 . . ?
C29 C37 H37B 109.3 . . ?
H37A C37 H37B 107.9 . . ?
C34 C38 C44 111.6(8) . . ?
C34 C38 P3 112.7(6) . . ?
C44 C38 P3 116.6(7) . . ?
C34 C38 H38A 104.9 . . ?
C44 C38 H38A 104.9 . . ?
P3 C38 H38A 104.9 . . ?
C63 C39 C23 109.8(8) . . ?
C63 C39 P4 116.4(7) . . ?
C23 C39 P4 111.3(6) . . ?
C63 C39 H39A 106.2 . . ?
C23 C39 H39A 106.2 . . ?
P4 C39 H39A 106.2 . . ?
C31 C40 C33 110.6(9) . . ?
C31 C40 P4 115.3(7) . . ?
C33 C40 P4 108.5(6) . . ?
C31 C40 H40A 107.4 . . ?
C33 C40 H40A 107.4 . . ?
P4 C40 H40A 107.4 . . ?
C59 C41 C80 110.6(8) . . ?
C59 C41 P2 114.0(8) . . ?
C80 C41 P2 109.6(7) . . ?
C59 C41 H41A 107.5 . . ?
C80 C41 H41A 107.5 . . ?
P2 C41 H41A 107.5 . . ?
C58 C42 C46 111.8(9) . . ?
C58 C42 H42A 109.3 . . ?
C46 C42 H42A 109.3 . . ?
C58 C42 H42B 109.3 . . ?
C46 C42 H42B 109.3 . . ?
H42A C42 H42B 107.9 . . ?
C88 C43 C67 108.6(8) . . ?
C88 C43 P2 111.9(6) . . ?
C67 C43 P2 116.4(7) . . ?
C88 C43 H43A 106.4 . . ?
C67 C43 H43A 106.4 . . ?
P2 C43 H43A 106.4 . . ?
C38 C44 C47 108.6(9) . . ?
C38 C44 H44A 110.0 . . ?
C47 C44 H44A 110.0 . . ?
C38 C44 H44B 110.0 . . ?
C47 C44 H44B 110.0 . . ?
H44A C44 H44B 108.3 . . ?
C32 C45 C48 110.9(10) . . ?
C32 C45 H45A 109.5 . . ?
C48 C45 H45A 109.5 . . ?
C32 C45 H45B 109.5 . . ?
C48 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
C52 C46 C42 109.0(8) . . ?
C52 C46 H46A 109.9 . . ?
C42 C46 H46A 109.9 . . ?
C52 C46 H46B 109.9 . . ?
C42 C46 H46B 109.9 . . ?
H46A C46 H46B 108.3 . . ?
C37 C47 C44 111.8(8) . . ?
C37 C47 H47A 109.3 . . ?
C44 C47 H47A 109.3 . . ?
C37 C47 H47B 109.3 . . ?
C44 C47 H47B 109.3 . . ?
H47A C47 H47B 107.9 . . ?
C68 C48 C45 112.9(11) . . ?
C68 C48 H48A 109.0 . . ?
C45 C48 H48A 109.0 . . ?
C68 C48 H48B 109.0 . . ?
C45 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
C35 C49 C60 109.2(9) . . ?
C35 C49 H49A 109.8 . . ?
C60 C49 H49A 109.8 . . ?
C35 C49 H49B 109.8 . . ?
C60 C49 H49B 109.8 . . ?
H49A C49 H49B 108.3 . . ?
C61 C50 C27 108.7(10) . . ?
C61 C50 H50A 109.9 . . ?
C27 C50 H50A 109.9 . . ?
C61 C50 H50B 109.9 . . ?
C27 C50 H50B 109.9 . . ?
H50A C50 H50B 108.3 . . ?
C54 C51 C62 108.8(9) . . ?
C54 C51 H51A 109.9 . . ?
C62 C51 H51A 109.9 . . ?
C54 C51 H51B 109.9 . . ?
C62 C51 H51B 109.9 . . ?
H51A C51 H51B 108.3 . . ?
C81 C52 C46 110.8(8) . . ?
C81 C52 P1A 112.1(8) . . ?
C46 C52 P1A 107.4(7) . . ?
C81 C52 H52A 108.8 . . ?
C46 C52 H52A 108.8 . . ?
P1A C52 H52A 108.8 . . ?
C85 C53 C57 110.7(9) . . ?
C85 C53 P1A 117.3(7) . . ?
C57 C53 P1A 113.1(8) . . ?
C85 C53 H53A 104.8 . . ?
C57 C53 H53A 104.8 . . ?
P1A C53 H53A 104.8 . . ?
C56 C54 C51 110.6(8) . . ?
C56 C54 P3 111.7(6) . . ?
C51 C54 P3 108.8(7) . . ?
C56 C54 H54A 108.5 . . ?
C51 C54 H54A 108.5 . . ?
P3 C54 H54A 108.5 . . ?
C81 C55 C58 110.0(9) . . ?
C81 C55 H55A 109.7 . . ?
C58 C55 H55A 109.7 . . ?
C81 C55 H55B 109.7 . . ?
C58 C55 H55B 109.7 . . ?
H55A C55 H55B 108.2 . . ?
C74 C56 C54 113.2(8) . . ?
C74 C56 H56A 108.9 . . ?
C54 C56 H56A 108.9 . . ?
C74 C56 H56B 108.9 . . ?
C54 C56 H56B 108.9 . . ?
H56A C56 H56B 107.8 . . ?
C53 C57 C79 112.7(10) . . ?
C53 C57 H57A 109.1 . . ?
C79 C57 H57A 109.1 . . ?
C53 C57 H57B 109.1 . . ?
C79 C57 H57B 109.1 . . ?
H57A C57 H57B 107.8 . . ?
C42 C58 C55 110.6(9) . . ?
C42 C58 H58A 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C42 C58 H58B 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 108.1 . . ?
C41 C59 C86 109.9(9) . . ?
C41 C59 H59A 109.7 . . ?
C86 C59 H59A 109.7 . . ?
C41 C59 H59B 109.7 . . ?
C86 C59 H59B 109.7 . . ?
H59A C59 H59B 108.2 . . ?
C84 C60 C49 111.1(10) . . ?
C84 C60 H60A 109.4 . . ?
C49 C60 H60A 109.4 . . ?
C84 C60 H60B 109.4 . . ?
C49 C60 H60B 109.4 . . ?
H60A C60 H60B 108.0 . . ?
C30 C61 C50 112.1(9) . . ?
C30 C61 H61A 109.2 . . ?
C50 C61 H61A 109.2 . . ?
C30 C61 H61B 109.2 . . ?
C50 C61 H61B 109.2 . . ?
H61A C61 H61B 107.9 . . ?
C70 C62 C51 110.9(9) . . ?
C70 C62 H62A 109.5 . . ?
C51 C62 H62A 109.5 . . ?
C70 C62 H62B 109.5 . . ?
C51 C62 H62B 109.5 . . ?
H62A C62 H62B 108.0 . . ?
C77 C63 C39 112.5(8) . . ?
C77 C63 H63A 109.1 . . ?
C39 C63 H63A 109.1 . . ?
C77 C63 H63B 109.1 . . ?
C39 C63 H63B 109.1 . . ?
H63A C63 H63B 107.8 . . ?
C67 C64 C82 111.4(9) . . ?
C67 C64 H64A 109.3 . . ?
C82 C64 H64A 109.3 . . ?
C67 C64 H64B 109.3 . . ?
C82 C64 H64B 109.3 . . ?
H64A C64 H64B 108.0 . . ?
C75 C65 C80 112.9(10) . . ?
C75 C65 H65A 109.0 . . ?
C80 C65 H65A 109.0 . . ?
C75 C65 H65B 109.0 . . ?
C80 C65 H65B 109.0 . . ?
H65A C65 H65B 107.8 . . ?
C68 C66 C71 110.0(11) . . ?
C68 C66 H66A 109.7 . . ?
C71 C66 H66A 109.7 . . ?
C68 C66 H66B 109.7 . . ?
C71 C66 H66B 109.7 . . ?
H66A C66 H66B 108.2 . . ?
C64 C67 C43 112.6(8) . . ?
C64 C67 H67A 109.1 . . ?
C43 C67 H67A 109.1 . . ?
C64 C67 H67B 109.1 . . ?
C43 C67 H67B 109.1 . . ?
H67A C67 H67B 107.8 . . ?
C48 C68 C66 111.8(10) . . ?
C48 C68 H68A 109.3 . . ?
C66 C68 H68A 109.3 . . ?
C48 C68 H68B 109.3 . . ?
C66 C68 H68B 109.3 . . ?
H68A C68 H68B 107.9 . . ?
C35 C69 C87 109.2(9) . . ?
C35 C69 H69A 109.8 . . ?
C87 C69 H69A 109.8 . . ?
C35 C69 H69B 109.8 . . ?
C87 C69 H69B 109.8 . . ?
H69A C69 H69B 108.3 . . ?
C62 C70 C74 111.1(9) . . ?
C62 C70 H70A 109.4 . . ?
C74 C70 H70A 109.4 . . ?
C62 C70 H70B 109.4 . . ?
C74 C70 H70B 109.4 . . ?
H70A C70 H70B 108.0 . . ?
C66 C71 C32 112.8(10) . . ?
C66 C71 H71A 109.0 . . ?
C32 C71 H71A 109.0 . . ?
C66 C71 H71B 109.0 . . ?
C32 C71 H71B 109.0 . . ?
H71A C71 H71B 107.8 . . ?
C23 C72 C76 112.2(9) . . ?
C23 C72 H72A 109.2 . . ?
C76 C72 H72A 109.2 . . ?
C23 C72 H72B 109.2 . . ?
C76 C72 H72B 109.2 . . ?
H72A C72 H72B 107.9 . . ?
C36 C73 C31 110.6(9) . . ?
C36 C73 H73A 109.5 . . ?
C31 C73 H73A 109.5 . . ?
C36 C73 H73B 109.5 . . ?
C31 C73 H73B 109.5 . . ?
H73A C73 H73B 108.1 . . ?
C56 C74 C70 110.2(9) . . ?
C56 C74 H74A 109.6 . . ?
C70 C74 H74A 109.6 . . ?
C56 C74 H74B 109.6 . . ?
C70 C74 H74B 109.6 . . ?
H74A C74 H74B 108.1 . . ?
C65 C75 C86 111.7(9) . . ?
C65 C75 H75A 109.3 . . ?
C86 C75 H75A 109.3 . . ?
C65 C75 H75B 109.3 . . ?
C86 C75 H75B 109.3 . . ?
H75A C75 H75B 107.9 . . ?
C77 C76 C72 109.5(9) . . ?
C77 C76 H76A 109.8 . . ?
C72 C76 H76A 109.8 . . ?
C77 C76 H76B 109.8 . . ?
C72 C76 H76B 109.8 . . ?
H76A C76 H76B 108.2 . . ?
C76 C77 C63 113.2(9) . . ?
C76 C77 H77A 108.9 . . ?
C63 C77 H77A 108.9 . . ?
C76 C77 H77B 108.9 . . ?
C63 C77 H77B 108.9 . . ?
H77A C77 H77B 107.8 . . ?
C88 C78 C82 110.0(8) . . ?
C88 C78 H78A 109.7 . . ?
C82 C78 H78A 109.7 . . ?
C88 C78 H78B 109.7 . . ?
C82 C78 H78B 109.7 . . ?
H78A C78 H78B 108.2 . . ?
C83 C79 C57 111.8(10) . . ?
C83 C79 H79A 109.3 . . ?
C57 C79 H79A 109.3 . . ?
C83 C79 H79B 109.3 . . ?
C57 C79 H79B 109.3 . . ?
H79A C79 H79B 107.9 . . ?
C41 C80 C65 110.4(9) . . ?
C41 C80 H80A 109.6 . . ?
C65 C80 H80A 109.6 . . ?
C41 C80 H80B 109.6 . . ?
C65 C80 H80B 109.6 . . ?
H80A C80 H80B 108.1 . . ?
C52 C81 C55 113.3(10) . . ?
C52 C81 H81A 108.9 . . ?
C55 C81 H81A 108.9 . . ?
C52 C81 H81B 108.9 . . ?
C55 C81 H81B 108.9 . . ?
H81A C81 H81B 107.7 . . ?
C64 C82 C78 110.3(9) . . ?
C64 C82 H82A 109.6 . . ?
C78 C82 H82A 109.6 . . ?
C64 C82 H82B 109.6 . . ?
C78 C82 H82B 109.6 . . ?
H82A C82 H82B 108.1 . . ?
C89 C83 C79 110.1(10) . . ?
C89 C83 H83A 109.6 . . ?
C79 C83 H83A 109.6 . . ?
C89 C83 H83B 109.6 . . ?
C79 C83 H83B 109.6 . . ?
H83A C83 H83B 108.2 . . ?
C60 C84 C87 113.6(11) . . ?
C60 C84 H84A 108.9 . . ?
C87 C84 H84A 108.9 . . ?
C60 C84 H84B 108.9 . . ?
C87 C84 H84B 108.9 . . ?
H84A C84 H84B 107.7 . . ?
C53 C85 C89 113.3(10) . . ?
C53 C85 H85A 108.9 . . ?
C89 C85 H85A 108.9 . . ?
C53 C85 H85B 108.9 . . ?
C89 C85 H85B 108.9 . . ?
H85A C85 H85B 107.7 . . ?
C75 C86 C59 111.2(8) . . ?
C75 C86 H86A 109.4 . . ?
C59 C86 H86A 109.4 . . ?
C75 C86 H86B 109.4 . . ?
C59 C86 H86B 109.4 . . ?
H86A C86 H86B 108.0 . . ?
C84 C87 C69 112.4(9) . . ?
C84 C87 H87A 109.1 . . ?
C69 C87 H87A 109.1 . . ?
C84 C87 H87B 109.1 . . ?
C69 C87 H87B 109.1 . . ?
H87A C87 H87B 107.9 . . ?
C78 C88 C43 112.5(8) . . ?
C78 C88 H88A 109.1 . . ?
C43 C88 H88A 109.1 . . ?
C78 C88 H88B 109.1 . . ?
C43 C88 H88B 109.1 . . ?
H88A C88 H88B 107.8 . . ?
C83 C89 C85 110.2(12) . . ?
C83 C89 H89A 109.6 . . ?
C85 C89 H89A 109.6 . . ?
C83 C89 H89B 109.6 . . ?
C85 C89 H89B 109.6 . . ?
H89A C89 H89B 108.1 . . ?
C91 C90 C22 111.9(8) . . ?
C91 C90 H90A 109.2 . . ?
C22 C90 H90A 109.2 . . ?
C91 C90 H90B 109.2 . . ?
C22 C90 H90B 109.2 . . ?
H90A C90 H90B 107.9 . . ?
C92 C91 C90 110.6(8) . . ?
C92 C91 H91A 109.5 . . ?
C90 C91 H91A 109.5 . . ?
C92 C91 H91B 109.5 . . ?
C90 C91 H91B 109.5 . . ?
H91A C91 H91B 108.1 . . ?
C91 C92 C21 112.4(9) . . ?
C91 C92 H92A 109.1 . . ?
C21 C92 H92A 109.1 . . ?
C91 C92 H92B 109.1 . . ?
C21 C92 H92B 109.1 . . ?
H92A C92 H92B 107.9 . . ?

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
P1A Pt1 Pb1A Cl1A 112.28(10) . . . . ?
P2 Pt1 Pb1A Cl1A -63.62(10) . . . . ?
Pb1B Pt1 Pb1A Cl1A -62.0(11) . . . . ?
P1A Pt1 Pb1A Cl2A 36.45(10) . . . . ?
P2 Pt1 Pb1A Cl2A -139.44(10) . . . . ?
Pb1B Pt1 Pb1A Cl2A -137.8(11) . . . . ?
Pt1 Pb1A Cl1A Pb2A -121.19(14) . . . . ?
Cl2A Pb1A Cl1A Pb2A -4.29(14) . . . . ?
Pt1 Pb1A Cl2A Pb2A 87.95(11) . . . . ?
Cl1A Pb1A Cl2A Pb2A 4.35(14) . . . . ?
Pb1A Cl2A Pb2A Pt2 107.60(11) . . . . ?
Pb1A Cl2A Pb2A Cl1A -4.32(14) . . . . ?
Pb1A Cl1A Pb2A Pt2 -83.44(15) . . . . ?
Pb1A Cl1A Pb2A Cl2A 4.43(14) . . . . ?
P1A Pt1 Pb1B Cl2B 27.9(9) . . . . ?
P2 Pt1 Pb1B Cl2B -147.7(8) . . . . ?
Pb1A Pt1 Pb1B Cl2B 33.9(11) . . . . ?
P1A Pt1 Pb1B Cl1B 108.5(9) . . . . ?
P2 Pt1 Pb1B Cl1B -67.1(9) . . . . ?
Pb1A Pt1 Pb1B Cl1B 114.5(14) . . . . ?
Pt1 Pb1B Cl1B Pb2B -112.1(14) . . . . ?
Cl2B Pb1B Cl1B Pb2B -5.0(14) . . . . ?
Pt1 Pb1B Cl2B Pb2B 94.8(11) . . . . ?
Cl1B Pb1B Cl2B Pb2B 5.1(15) . . . . ?
Pb1B Cl1B Pb2B Pt2 -79.4(16) . . . . ?
Pb1B Cl1B Pb2B Cl2B 4.9(14) . . . . ?
Pb1B Cl2B Pb2B Pt2 116.0(10) . . . . ?
Pb1B Cl2B Pb2B Cl1B -5.1(14) . . . . ?
P2 Pt1 P1A C53 -48.5(5) . . . . ?
Pb1A Pt1 P1A C53 145.1(4) . . . . ?
Pb1B Pt1 P1A C53 146.4(4) . . . . ?
P2 Pt1 P1A C27 -174.3(4) . . . . ?
Pb1A Pt1 P1A C27 19.3(4) . . . . ?
Pb1B Pt1 P1A C27 20.5(4) . . . . ?
P2 Pt1 P1A C52 67.4(5) . . . . ?
Pb1A Pt1 P1A C52 -99.0(4) . . . . ?
Pb1B Pt1 P1A C52 -97.7(4) . . . . ?
Cl2A Pb2A Pt2 P3 -112.92(10) . . . . ?
Cl1A Pb2A Pt2 P3 -33.79(13) . . . . ?
Cl2A Pb2A Pt2 P4 64.21(10) . . . . ?
Cl1A Pb2A Pt2 P4 143.34(12) . . . . ?
Cl2A Pb2A Pt2 Pb2B -94(3) . . . . ?
Cl1A Pb2A Pt2 Pb2B -15(3) . . . . ?
Cl1B Pb2B Pt2 P3 -30.0(13) . . . . ?
Cl2B Pb2B Pt2 P3 -106.9(7) . . . . ?
Cl1B Pb2B Pt2 P4 146.4(13) . . . . ?
Cl2B Pb2B Pt2 P4 69.5(7) . . . . ?
Cl1B Pb2B Pt2 Pb2A 168(4) . . . . ?
Cl2B Pb2B Pt2 Pb2A 91(4) . . . . ?
P1A Pt1 P2 C41 43.9(5) . . . . ?
Pb1A Pt1 P2 C41 -149.8(4) . . . . ?
Pb1B Pt1 P2 C41 -150.2(4) . . . . ?
P1A Pt1 P2 C43 -71.7(5) . . . . ?
Pb1A Pt1 P2 C43 94.6(4) . . . . ?
Pb1B Pt1 P2 C43 94.2(4) . . . . ?
P1A Pt1 P2 C32 161.8(5) . . . . ?
Pb1A Pt1 P2 C32 -31.9(4) . . . . ?
Pb1B Pt1 P2 C32 -32.2(5) . . . . ?
P4 Pt2 P3 C24 48.3(5) . . . . ?
Pb2A Pt2 P3 C24 -141.4(3) . . . . ?
Pb2B Pt2 P3 C24 -143.8(5) . . . . ?
P4 Pt2 P3 C38 176.2(4) . . . . ?
Pb2A Pt2 P3 C38 -13.5(3) . . . . ?
Pb2B Pt2 P3 C38 -15.9(5) . . . . ?
P4 Pt2 P3 C54 -63.4(4) . . . . ?
Pb2A Pt2 P3 C54 106.9(3) . . . . ?
Pb2B Pt2 P3 C54 104.6(5) . . . . ?
P3 Pt2 P4 C35 89.6(4) . . . . ?
Pb2A Pt2 P4 C35 -80.8(4) . . . . ?
Pb2B Pt2 P4 C35 -78.0(5) . . . . ?
P3 Pt2 P4 C39 -26.5(5) . . . . ?
Pb2A Pt2 P4 C39 163.1(3) . . . . ?
Pb2B Pt2 P4 C39 165.9(5) . . . . ?
P3 Pt2 P4 C40 -146.1(4) . . . . ?
Pb2A Pt2 P4 C40 43.5(4) . . . . ?
Pb2B Pt2 P4 C40 46.2(5) . . . . ?
C92 C21 C24 C22 -58.2(12) . . . . ?
C92 C21 C24 P3 172.0(8) . . . . ?
C90 C22 C24 C21 58.4(11) . . . . ?
C90 C22 C24 P3 -169.8(7) . . . . ?
C38 P3 C24 C21 51.4(9) . . . . ?
C54 P3 C24 C21 -62.1(9) . . . . ?
Pt2 P3 C24 C21 -175.7(7) . . . . ?
C38 P3 C24 C22 -76.8(8) . . . . ?
C54 P3 C24 C22 169.7(7) . . . . ?
Pt2 P3 C24 C22 56.1(7) . . . . ?
C53 P1A C27 C28 -66.8(9) . . . . ?
C52 P1A C27 C28 178.8(8) . . . . ?
Pt1 P1A C27 C28 56.8(8) . . . . ?
C53 P1A C27 C50 64.3(9) . . . . ?
C52 P1A C27 C50 -50.2(8) . . . . ?
Pt1 P1A C27 C50 -172.1(6) . . . . ?
C50 C27 C28 C26 60.5(11) . . . . ?
P1A C27 C28 C26 -165.5(7) . . . . ?
C30 C26 C28 C27 -57.1(11) . . . . ?
C28 C26 C30 C61 53.7(13) . . . . ?
C41 P2 C32 C45 -53.8(9) . . . . ?
C43 P2 C32 C45 58.3(9) . . . . ?
Pt1 P2 C32 C45 -172.5(7) . . . . ?
C41 P2 C32 C71 176.6(9) . . . . ?
C43 P2 C32 C71 -71.3(10) . . . . ?
Pt1 P2 C32 C71 58.0(10) . . . . ?
C36 C25 C33 C40 52.2(11) . . . . ?
C37 C29 C34 C38 54.1(11) . . . . ?
C39 P4 C35 C69 73.1(8) . . . . ?
C40 P4 C35 C69 -174.1(7) . . . . ?
Pt2 P4 C35 C69 -41.8(8) . . . . ?
C39 P4 C35 C49 -58.1(9) . . . . ?
C40 P4 C35 C49 54.7(8) . . . . ?
Pt2 P4 C35 C49 -173.0(7) . . . . ?
C33 C25 C36 C73 -55.6(11) . . . . ?
C34 C29 C37 C47 -53.5(12) . . . . ?
C29 C34 C38 C44 -57.6(11) . . . . ?
C29 C34 C38 P3 168.9(6) . . . . ?
C24 P3 C38 C34 63.4(8) . . . . ?
C54 P3 C38 C34 176.2(7) . . . . ?
Pt2 P3 C38 C34 -62.5(7) . . . . ?
C24 P3 C38 C44 -67.7(8) . . . . ?
C54 P3 C38 C44 45.2(8) . . . . ?
Pt2 P3 C38 C44 166.4(6) . . . . ?
C72 C23 C39 C63 -52.4(11) . . . . ?
C72 C23 C39 P4 177.3(7) . . . . ?
C35 P4 C39 C63 90.4(8) . . . . ?
C40 P4 C39 C63 -20.0(9) . . . . ?
Pt2 P4 C39 C63 -147.8(6) . . . . ?
C35 P4 C39 C23 -142.8(7) . . . . ?
C40 P4 C39 C23 106.8(7) . . . . ?
Pt2 P4 C39 C23 -21.0(7) . . . . ?
C73 C31 C40 C33 54.8(11) . . . . ?
C73 C31 C40 P4 178.3(7) . . . . ?
C25 C33 C40 C31 -52.8(11) . . . . ?
C25 C33 C40 P4 179.8(7) . . . . ?
C35 P4 C40 C31 47.0(9) . . . . ?
C39 P4 C40 C31 159.3(7) . . . . ?
Pt2 P4 C40 C31 -82.4(8) . . . . ?
C35 P4 C40 C33 171.7(6) . . . . ?
C39 P4 C40 C33 -76.0(7) . . . . ?
Pt2 P4 C40 C33 42.2(7) . . . . ?
C43 P2 C41 C59 -161.9(7) . . . . ?
C32 P2 C41 C59 -50.0(8) . . . . ?
Pt1 P2 C41 C59 78.5(8) . . . . ?
C43 P2 C41 C80 73.5(7) . . . . ?
C32 P2 C41 C80 -174.6(7) . . . . ?
Pt1 P2 C41 C80 -46.1(7) . . . . ?
C41 P2 C43 C88 -100.0(8) . . . . ?
C32 P2 C43 C88 149.3(7) . . . . ?
Pt1 P2 C43 C88 15.3(8) . . . . ?
C41 P2 C43 C67 25.7(9) . . . . ?
C32 P2 C43 C67 -85.0(8) . . . . ?
Pt1 P2 C43 C67 141.0(7) . . . . ?
C34 C38 C44 C47 57.7(11) . . . . ?
P3 C38 C44 C47 -170.7(7) . . . . ?
C71 C32 C45 C48 -52.8(13) . . . . ?
P2 C32 C45 C48 174.5(8) . . . . ?
C58 C42 C46 C52 -56.1(11) . . . . ?
C29 C37 C47 C44 56.0(13) . . . . ?
C38 C44 C47 C37 -57.2(12) . . . . ?
C32 C45 C48 C68 54.2(13) . . . . ?
C69 C35 C49 C60 57.9(12) . . . . ?
P4 C35 C49 C60 -172.1(8) . . . . ?
C28 C27 C50 C61 -59.7(11) . . . . ?
P1A C27 C50 C61 166.5(7) . . . . ?
C42 C46 C52 C81 54.9(11) . . . . ?
C42 C46 C52 P1A 177.6(7) . . . . ?
C53 P1A C52 C81 -174.1(7) . . . . ?
C27 P1A C52 C81 -56.7(8) . . . . ?
Pt1 P1A C52 C81 70.3(7) . . . . ?
C53 P1A C52 C46 64.0(8) . . . . ?
C27 P1A C52 C46 -178.7(7) . . . . ?
Pt1 P1A C52 C46 -51.7(7) . . . . ?
C27 P1A C53 C85 -61.3(10) . . . . ?
C52 P1A C53 C85 50.7(10) . . . . ?
Pt1 P1A C53 C85 168.8(8) . . . . ?
C27 P1A C53 C57 69.4(9) . . . . ?
C52 P1A C53 C57 -178.7(8) . . . . ?
Pt1 P1A C53 C57 -60.6(8) . . . . ?
C62 C51 C54 C56 54.8(11) . . . . ?
C62 C51 C54 P3 177.9(7) . . . . ?
C24 P3 C54 C56 -60.4(8) . . . . ?
C38 P3 C54 C56 -177.8(7) . . . . ?
Pt2 P3 C54 C56 52.9(7) . . . . ?
C24 P3 C54 C51 177.2(7) . . . . ?
C38 P3 C54 C51 59.8(8) . . . . ?
Pt2 P3 C54 C51 -69.5(7) . . . . ?
C51 C54 C56 C74 -55.8(12) . . . . ?
P3 C54 C56 C74 -177.2(7) . . . . ?
C85 C53 C57 C79 -52.5(13) . . . . ?
P1A C53 C57 C79 173.6(8) . . . . ?
C46 C42 C58 C55 57.1(12) . . . . ?
C81 C55 C58 C42 -55.7(13) . . . . ?
C80 C41 C59 C86 -57.8(11) . . . . ?
P2 C41 C59 C86 178.2(7) . . . . ?
C35 C49 C60 C84 -56.0(13) . . . . ?
C26 C30 C61 C50 -53.8(14) . . . . ?
C27 C50 C61 C30 56.0(13) . . . . ?
C54 C51 C62 C70 -57.8(12) . . . . ?
C23 C39 C63 C77 52.3(11) . . . . ?
P4 C39 C63 C77 179.9(7) . . . . ?
C82 C64 C67 C43 55.9(12) . . . . ?
C88 C43 C67 C64 -54.2(11) . . . . ?
P2 C43 C67 C64 178.5(8) . . . . ?
C45 C48 C68 C66 -55.3(14) . . . . ?
C71 C66 C68 C48 55.8(14) . . . . ?
C49 C35 C69 C87 -55.0(11) . . . . ?
P4 C35 C69 C87 173.3(7) . . . . ?
C51 C62 C70 C74 58.8(12) . . . . ?
C68 C66 C71 C32 -56.7(14) . . . . ?
C45 C32 C71 C66 56.0(14) . . . . ?
P2 C32 C71 C66 -172.0(9) . . . . ?
C39 C23 C72 C76 55.5(12) . . . . ?
C25 C36 C73 C31 58.6(12) . . . . ?
C40 C31 C73 C36 -58.0(13) . . . . ?
C54 C56 C74 C70 55.2(12) . . . . ?
C62 C70 C74 C56 -56.8(12) . . . . ?
C80 C65 C75 C86 53.9(13) . . . . ?
C23 C72 C76 C77 -56.7(12) . . . . ?
C72 C76 C77 C63 56.5(12) . . . . ?
C39 C63 C77 C76 -56.3(12) . . . . ?
C53 C57 C79 C83 54.3(14) . . . . ?
C59 C41 C80 C65 55.5(11) . . . . ?
P2 C41 C80 C65 -178.0(7) . . . . ?
C75 C65 C80 C41 -53.9(12) . . . . ?
C46 C52 C81 C55 -56.9(12) . . . . ?
P1A C52 C81 C55 -176.8(7) . . . . ?
C58 C55 C81 C52 56.6(12) . . . . ?
C67 C64 C82 C78 -56.7(12) . . . . ?
C88 C78 C82 C64 57.2(12) . . . . ?
C57 C79 C83 C89 -55.6(14) . . . . ?
C49 C60 C84 C87 54.7(14) . . . . ?
C57 C53 C85 C89 54.0(15) . . . . ?
P1A C53 C85 C89 -174.2(9) . . . . ?
C65 C75 C86 C59 -55.6(13) . . . . ?
C41 C59 C86 C75 57.4(12) . . . . ?
C60 C84 C87 C69 -52.5(15) . . . . ?
C35 C69 C87 C84 50.5(14) . . . . ?
C82 C78 C88 C43 -58.3(11) . . . . ?
C67 C43 C88 C78 55.4(11) . . . . ?
P2 C43 C88 C78 -174.7(7) . . . . ?
C79 C83 C89 C85 55.8(14) . . . . ?
C53 C85 C89 C83 -56.4(15) . . . . ?
C24 C22 C90 C91 -57.3(11) . . . . ?
C22 C90 C91 C92 54.9(12) . . . . ?
C90 C91 C92 C21 -54.6(13) . . . . ?
C24 C21 C92 C91 56.9(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.818
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.167


# start Validation Reply Form                                              
_vrf_PLAT915_4                   
;                                                                          
PROBLEM: Low Friedel Pair Coverage ......................  48 %     
RESPONSE: The synthesis and crystallisations of compound 4 was done in 
racemic mixtures. By chance one crystal of just one enantiomere was choosen.  
We do not investigate the chirality by x-ray determination 
or other chiral methods. So it is possible to neglect this alert.                                                           
;
# end Validation Reply Form                                                                                        


# start Validation Reply Form                                              
_vrf_PLAT301_4                   
;                                                                          
PROBLEM: Main Residue  Disorder ............ Percentage =  5 Note     
RESPONSE: This alert is caused by slight disorder of the bridging PbCl2Pb unit.
The main part of the disorder is almost 90%, so it's possible to discuss the 
structural paramters of the disordered molecules.                                                           
;
_database_code_depnum_ccdc_archive 'CCDC 1002025'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_5

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H132 Cl2 P4 Pb2 Pt2, 2(C24 H12 B Cl8)'

_chemical_formula_sum            'C120 H156 B2 Cl18 P4 Pb2 Pt2'
_chemical_formula_weight         3186.61

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5092(6)
_cell_length_b                   15.3892(10)
_cell_length_c                   20.0776(12)
_cell_angle_alpha                109.785(2)
_cell_angle_beta                 90.439(2)
_cell_angle_gamma                90.796(2)
_cell_volume                     3054.9(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1572
_exptl_absorpt_coefficient_mu    5.523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6086
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            58065
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.08
_diffrn_reflns_theta_max         26.37
_reflns_number_total             12492
_reflns_number_gt                10951
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The 18 reported least-squares restraints as shown by 
 _refine_ls_number_restraints key are attributed to DELU keyword in ShelXL 
 input ('rigid bond' restraint for all bonds in the connectivity list. 
 Standard values of 0.01 for both parameters s1 and s2 were used).
 The displacement parameters of atoms Pb1 and Pb2 were restrained to the 
 same value with similarity restraint SIMU. 
 The Uii displacement parameters of atoms Pb1 and Pb2 were restrained with 
 ISOR keyword to approximate isotropic behavior. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0171P)²+2.7796P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12492
_refine_ls_number_parameters     677
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0209
_refine_ls_wR_factor_ref         0.0454
_refine_ls_wR_factor_gt          0.0435
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_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
Pt1 Pt 0.529977(10) -0.032098(8) 0.297740(5) 0.00961(3) Uani 1 1 d . . .
Pb1 Pb 0.386607(10) -0.001168(8) 0.408536(5) 0.01175(3) Uani 0.9795(3) 1 d PU .
1
Pb2 Pb 0.5383(5) 0.0076(4) 0.3957(2) 0.0084(10) Uani 0.0205(3) 1 d PU . 2
Cl1 Cl 0.51466(7) 0.11681(5) 0.52895(4) 0.01732(16) Uani 1 1 d . . .
P1 P 0.49130(7) -0.19037(5) 0.24975(4) 0.01034(15) Uani 1 1 d . . .
P2 P 0.62106(7) 0.11477(5) 0.32848(4) 0.01076(15) Uani 1 1 d . . .
C11 C 0.5727(3) -0.2514(2) 0.30260(14) 0.0123(6) Uani 1 1 d . . .
H11A H 0.5221 -0.2373 0.3469 0.015 Uiso 1 1 calc R . .
C12 C 0.7064(3) -0.2106(2) 0.32752(15) 0.0151(6) Uani 1 1 d . . .
H12A H 0.7612 -0.2204 0.2858 0.018 Uiso 1 1 calc R . .
H12B H 0.7003 -0.1433 0.3524 0.018 Uiso 1 1 calc R . .
C13 C 0.7669(3) -0.2552(2) 0.37692(17) 0.0227(7) Uani 1 1 d . . .
H13A H 0.8556 -0.2320 0.3879 0.027 Uiso 1 1 calc R . .
H13B H 0.7196 -0.2370 0.4219 0.027 Uiso 1 1 calc R . .
C14 C 0.7667(3) -0.3593(2) 0.34480(18) 0.0241(8) Uani 1 1 d . . .
H14A H 0.8025 -0.3856 0.3794 0.029 Uiso 1 1 calc R . .
H14B H 0.8212 -0.3780 0.3024 0.029 Uiso 1 1 calc R . .
C15 C 0.6320(3) -0.3973(2) 0.32393(17) 0.0221(7) Uani 1 1 d . . .
H15A H 0.5788 -0.3817 0.3667 0.027 Uiso 1 1 calc R . .
H15B H 0.6341 -0.4654 0.3025 0.027 Uiso 1 1 calc R . .
C16 C 0.5732(3) -0.3571(2) 0.27126(16) 0.0164(7) Uani 1 1 d . . .
H16A H 0.4849 -0.3810 0.2596 0.020 Uiso 1 1 calc R . .
H16B H 0.6226 -0.3765 0.2270 0.020 Uiso 1 1 calc R . .
C21 C 0.5531(3) -0.2323(2) 0.15797(14) 0.0127(6) Uani 1 1 d . . .
H21A H 0.5093 -0.2928 0.1329 0.015 Uiso 1 1 calc R . .
C22 C 0.5185(3) -0.1673(2) 0.11746(15) 0.0177(7) Uani 1 1 d . . .
H22A H 0.4257 -0.1566 0.1204 0.021 Uiso 1 1 calc R . .
H22B H 0.5627 -0.1069 0.1397 0.021 Uiso 1 1 calc R . .
C23 C 0.5563(3) -0.2078(2) 0.03970(16) 0.0233(7) Uani 1 1 d . . .
H23A H 0.5069 -0.2655 0.0165 0.028 Uiso 1 1 calc R . .
H23B H 0.5354 -0.1635 0.0153 0.028 Uiso 1 1 calc R . .
C24 C 0.6972(3) -0.2279(2) 0.03277(17) 0.0255(8) Uani 1 1 d . . .
H24A H 0.7178 -0.2582 -0.0178 0.031 Uiso 1 1 calc R . .
H24B H 0.7467 -0.1692 0.0508 0.031 Uiso 1 1 calc R . .
C25 C 0.7344(3) -0.2901(2) 0.07381(16) 0.0210(7) Uani 1 1 d . . .
H25A H 0.8276 -0.2990 0.0709 0.025 Uiso 1 1 calc R . .
H25B H 0.6923 -0.3512 0.0521 0.025 Uiso 1 1 calc R . .
C26 C 0.6969(3) -0.2495(2) 0.15171(15) 0.0151(6) Uani 1 1 d . . .
H26A H 0.7441 -0.1907 0.1746 0.018 Uiso 1 1 calc R . .
H26B H 0.7201 -0.2929 0.1765 0.018 Uiso 1 1 calc R . .
C31 C 0.3283(3) -0.2421(2) 0.23916(15) 0.0152(6) Uani 1 1 d . . .
H31A H 0.3402 -0.3104 0.2231 0.018 Uiso 1 1 calc R . .
C32 C 0.2583(3) -0.2179(3) 0.30930(16) 0.0236(8) Uani 1 1 d . . .
H32A H 0.2407 -0.1509 0.3271 0.028 Uiso 1 1 calc R . .
H32B H 0.3130 -0.2318 0.3447 0.028 Uiso 1 1 calc R . .
C33 C 0.1331(3) -0.2724(3) 0.30058(18) 0.0295(9) Uani 1 1 d . . .
H33A H 0.1514 -0.3390 0.2874 0.035 Uiso 1 1 calc R . .
H33B H 0.0882 -0.2532 0.3463 0.035 Uiso 1 1 calc R . .
C34 C 0.0480(3) -0.2576(3) 0.24479(17) 0.0253(8) Uani 1 1 d . . .
H34A H 0.0203 -0.1926 0.2607 0.030 Uiso 1 1 calc R . .
H34B H -0.0288 -0.2978 0.2379 0.030 Uiso 1 1 calc R . .
C35 C 0.1176(3) -0.2794(3) 0.17494(17) 0.0261(8) Uani 1 1 d . . .
H35A H 0.0622 -0.2645 0.1403 0.031 Uiso 1 1 calc R . .
H35B H 0.1348 -0.3464 0.1560 0.031 Uiso 1 1 calc R . .
C36 C 0.2433(3) -0.2253(3) 0.18312(17) 0.0230(8) Uani 1 1 d . . .
H36A H 0.2878 -0.2445 0.1373 0.028 Uiso 1 1 calc R . .
H36B H 0.2259 -0.1585 0.1968 0.028 Uiso 1 1 calc R . .
C41 C 0.7144(3) 0.1165(2) 0.25123(14) 0.0123(6) Uani 1 1 d . . .
H41A H 0.7727 0.1718 0.2672 0.015 Uiso 1 1 calc R . .
C42 C 0.7973(3) 0.0300(2) 0.22526(15) 0.0165(7) Uani 1 1 d . . .
H42A H 0.8539 0.0280 0.2644 0.020 Uiso 1 1 calc R . .
H42B H 0.7418 -0.0260 0.2113 0.020 Uiso 1 1 calc R . .
C43 C 0.8780(3) 0.0300(2) 0.16210(16) 0.0221(7) Uani 1 1 d . . .
H43A H 0.9403 0.0821 0.1775 0.027 Uiso 1 1 calc R . .
H43B H 0.9260 -0.0281 0.1448 0.027 Uiso 1 1 calc R . .
C44 C 0.7955(3) 0.0391(2) 0.10202(16) 0.0223(7) Uani 1 1 d . . .
H44A H 0.8505 0.0429 0.0633 0.027 Uiso 1 1 calc R . .
H44B H 0.7396 -0.0164 0.0830 0.027 Uiso 1 1 calc R . .
C45 C 0.7146(3) 0.1245(2) 0.12796(16) 0.0216(7) Uani 1 1 d . . .
H45A H 0.6594 0.1276 0.0887 0.026 Uiso 1 1 calc R . .
H45B H 0.7707 0.1802 0.1429 0.026 Uiso 1 1 calc R . .
C46 C 0.6315(3) 0.1241(2) 0.19020(15) 0.0165(7) Uani 1 1 d . . .
H46A H 0.5705 0.0713 0.1745 0.020 Uiso 1 1 calc R . .
H46B H 0.5823 0.1817 0.2068 0.020 Uiso 1 1 calc R . .
C51 C 0.5163(3) 0.2159(2) 0.34886(15) 0.0120(6) Uani 1 1 d . . .
H51A H 0.4649 0.2084 0.3051 0.014 Uiso 1 1 calc R . .
C52 C 0.4222(3) 0.2224(2) 0.40769(17) 0.0178(7) Uani 1 1 d . . .
H52A H 0.4702 0.2253 0.4510 0.021 Uiso 1 1 calc R . .
H52B H 0.3683 0.1657 0.3936 0.021 Uiso 1 1 calc R . .
C53 C 0.3364(3) 0.3064(2) 0.42472(16) 0.0179(7) Uani 1 1 d . . .
H53A H 0.2806 0.3004 0.3834 0.021 Uiso 1 1 calc R . .
H53B H 0.2815 0.3088 0.4651 0.021 Uiso 1 1 calc R . .
C54 C 0.4144(3) 0.3949(2) 0.44296(15) 0.0168(7) Uani 1 1 d . . .
H54A H 0.4642 0.4041 0.4870 0.020 Uiso 1 1 calc R . .
H54B H 0.3571 0.4479 0.4513 0.020 Uiso 1 1 calc R . .
C55 C 0.5045(3) 0.3906(2) 0.38282(16) 0.0179(7) Uani 1 1 d . . .
H55A H 0.5570 0.4480 0.3961 0.021 Uiso 1 1 calc R . .
H55B H 0.4542 0.3865 0.3399 0.021 Uiso 1 1 calc R . .
C56 C 0.5914(3) 0.3074(2) 0.36633(15) 0.0134(6) Uani 1 1 d . . .
H56A H 0.6481 0.3150 0.4076 0.016 Uiso 1 1 calc R . .
H56B H 0.6456 0.3050 0.3256 0.016 Uiso 1 1 calc R . .
C61 C 0.7388(3) 0.1400(2) 0.40297(14) 0.0113(6) Uani 1 1 d . . .
H61A H 0.6949 0.1802 0.4462 0.014 Uiso 1 1 calc R . .
C62 C 0.8599(3) 0.1935(2) 0.39513(15) 0.0142(6) Uani 1 1 d . . .
H62A H 0.9060 0.1568 0.3522 0.017 Uiso 1 1 calc R . .
H62B H 0.8356 0.2525 0.3893 0.017 Uiso 1 1 calc R . .
C63 C 0.9475(3) 0.2134(2) 0.46009(16) 0.0193(7) Uani 1 1 d . . .
H63A H 1.0271 0.2435 0.4521 0.023 Uiso 1 1 calc R . .
H63B H 0.9053 0.2569 0.5018 0.023 Uiso 1 1 calc R . .
C64 C 0.9800(3) 0.1264(2) 0.47536(16) 0.0183(7) Uani 1 1 d . . .
H64A H 1.0316 0.1428 0.5195 0.022 Uiso 1 1 calc R . .
H64B H 1.0313 0.0860 0.4363 0.022 Uiso 1 1 calc R . .
C65 C 0.8602(3) 0.0748(2) 0.48324(15) 0.0179(7) Uani 1 1 d . . .
H65A H 0.8128 0.1130 0.5251 0.021 Uiso 1 1 calc R . .
H65B H 0.8838 0.0169 0.4911 0.021 Uiso 1 1 calc R . .
C66 C 0.7752(3) 0.0520(2) 0.41767(14) 0.0132(6) Uani 1 1 d . . .
H66A H 0.6970 0.0196 0.4246 0.016 Uiso 1 1 calc R A 2
H66B H 0.8203 0.0102 0.3764 0.016 Uiso 1 1 calc R A 2
Cl90 Cl 0.68393(7) 0.37156(6) 0.18662(4) 0.02415(18) Uani 1 1 d . . .
Cl91 Cl 0.37954(7) 0.54794(6) 0.05772(4) 0.02043(17) Uani 1 1 d . . .
Cl92 Cl 0.38487(7) 0.00962(5) 0.05956(4) 0.01728(16) Uani 1 1 d . . .
Cl93 Cl 0.15108(7) 0.06187(6) 0.30713(4) 0.02115(17) Uani 1 1 d . . .
Cl94 Cl -0.11117(8) 0.15665(6) -0.03673(4) 0.02674(19) Uani 1 1 d . . .
Cl95 Cl -0.14144(7) 0.52442(6) 0.09437(5) 0.02487(18) Uani 1 1 d . . .
Cl96 Cl -0.14729(7) 0.44867(5) 0.40834(4) 0.02025(17) Uani 1 1 d . . .
Cl97 Cl 0.30279(7) 0.62548(6) 0.42263(4) 0.02105(17) Uani 1 1 d . . .
B100 B 0.1779(3) 0.3334(2) 0.19304(17) 0.0120(7) Uani 1 1 d . . .
C101 C 0.3036(3) 0.3752(2) 0.16406(14) 0.0120(6) Uani 1 1 d . . .
C102 C 0.2943(3) 0.4343(2) 0.12502(14) 0.0137(6) Uani 1 1 d . . .
H10A H 0.2126 0.4490 0.1118 0.016 Uiso 1 1 calc R . .
C103 C 0.4018(3) 0.4722(2) 0.10500(15) 0.0150(6) Uani 1 1 d . . .
C104 C 0.5234(3) 0.4530(2) 0.12184(14) 0.0156(7) Uani 1 1 d . . .
H10B H 0.5966 0.4780 0.1070 0.019 Uiso 1 1 calc R . .
C105 C 0.5326(3) 0.3957(2) 0.16136(15) 0.0153(7) Uani 1 1 d . . .
C106 C 0.4270(3) 0.3573(2) 0.18228(15) 0.0153(6) Uani 1 1 d . . .
H10C H 0.4383 0.3181 0.2095 0.018 Uiso 1 1 calc R . .
C111 C 0.2093(2) 0.2301(2) 0.19347(14) 0.0112(6) Uani 1 1 d . . .
C112 C 0.2750(3) 0.1691(2) 0.13605(14) 0.0130(6) Uani 1 1 d . . .
H11B H 0.3013 0.1898 0.0987 0.016 Uiso 1 1 calc R . .
C113 C 0.3022(3) 0.0804(2) 0.13239(14) 0.0124(6) Uani 1 1 d . . .
C114 C 0.2669(3) 0.0459(2) 0.18441(15) 0.0151(6) Uani 1 1 d . . .
H11C H 0.2865 -0.0152 0.1819 0.018 Uiso 1 1 calc R . .
C115 C 0.2013(3) 0.1049(2) 0.24044(14) 0.0134(6) Uani 1 1 d . . .
C116 C 0.1722(2) 0.1941(2) 0.24596(14) 0.0123(6) Uani 1 1 d . . .
H11D H 0.1266 0.2316 0.2857 0.015 Uiso 1 1 calc R . .
C121 C 0.0588(3) 0.3305(2) 0.13890(14) 0.0125(6) Uani 1 1 d . . .
C122 C 0.0206(3) 0.2516(2) 0.08302(15) 0.0142(6) Uani 1 1 d . . .
H12C H 0.0547 0.1934 0.0795 0.017 Uiso 1 1 calc R . .
C123 C -0.0666(3) 0.2576(2) 0.03260(15) 0.0148(6) Uani 1 1 d . . .
C124 C -0.1174(3) 0.3398(2) 0.03360(16) 0.0177(7) Uani 1 1 d . . .
H12D H -0.1740 0.3431 -0.0026 0.021 Uiso 1 1 calc R . .
C125 C -0.0819(3) 0.4176(2) 0.09016(16) 0.0167(7) Uani 1 1 d . . .
C126 C 0.0012(3) 0.4130(2) 0.14233(15) 0.0144(6) Uani 1 1 d . . .
H12E H 0.0196 0.4673 0.1815 0.017 Uiso 1 1 calc R . .
C131 C 0.1447(3) 0.4050(2) 0.27241(14) 0.0120(6) Uani 1 1 d . . .
C132 C 0.0280(3) 0.3984(2) 0.30421(15) 0.0133(6) Uani 1 1 d . . .
H13C H -0.0321 0.3516 0.2798 0.016 Uiso 1 1 calc R . .
C133 C -0.0004(3) 0.4593(2) 0.37050(15) 0.0136(6) Uani 1 1 d . . .
C134 C 0.0812(3) 0.5298(2) 0.40876(15) 0.0149(6) Uani 1 1 d . . .
H13D H 0.0599 0.5712 0.4542 0.018 Uiso 1 1 calc R . .
C135 C 0.1951(3) 0.5368(2) 0.37734(15) 0.0139(6) Uani 1 1 d . . .
C136 C 0.2273(3) 0.4766(2) 0.31128(14) 0.0118(6) Uani 1 1 d . . .
H13E H 0.3072 0.4841 0.2919 0.014 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Pb2 1.853(5) . ?
Pt1 P2 2.3220(8) . ?
Pt1 P1 2.3246(8) . ?
Pt1 Pb1 2.60762(19) . ?
Pb1 Cl1 2.7135(8) 2_656 ?
Pb1 Cl1 2.8041(7) . ?
Pb2 C66 2.567(5) . ?
Pb2 P2 2.605(5) . ?
Pb2 Cl1 2.649(5) . ?
Pb2 Cl1 2.865(5) 2_656 ?
Cl1 Pb1 2.7135(8) 2_656 ?
Cl1 Pb2 2.865(5) 2_656 ?
P1 C11 1.850(3) . ?
P1 C31 1.859(3) . ?
P1 C21 1.860(3) . ?
P2 C41 1.849(3) . ?
P2 C51 1.851(3) . ?
P2 C61 1.867(3) . ?
C11 C16 1.532(4) . ?
C11 C12 1.540(4) . ?
C11 H11A 1.0000 . ?
C12 C13 1.523(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.511(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.524(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.525(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C22 1.534(4) . ?
C21 C26 1.537(4) . ?
C21 H21A 1.0000 . ?
C22 C23 1.530(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.515(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.511(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.532(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C36 1.522(4) . ?
C31 C32 1.527(4) . ?
C31 H31A 1.0000 . ?
C32 C33 1.527(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.507(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.523(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.530(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C46 1.535(4) . ?
C41 C42 1.540(4) . ?
C41 H41A 1.0000 . ?
C42 C43 1.531(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.526(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.516(5) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.531(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C52 1.524(4) . ?
C51 C56 1.536(4) . ?
C51 H51A 1.0000 . ?
C52 C53 1.529(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.512(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.524(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.528(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C66 1.533(4) . ?
C61 C62 1.544(4) . ?
C61 H61A 1.0000 . ?
C62 C63 1.532(4) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.514(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.518(4) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.521(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
Cl90 C105 1.748(3) . ?
Cl91 C103 1.751(3) . ?
Cl92 C113 1.746(3) . ?
Cl93 C115 1.764(3) . ?
Cl94 C123 1.754(3) . ?
Cl95 C125 1.742(3) . ?
Cl96 C133 1.756(3) . ?
Cl97 C135 1.753(3) . ?
B100 C111 1.632(4) . ?
B100 C121 1.642(4) . ?
B100 C131 1.645(4) . ?
B100 C101 1.655(4) . ?
C101 C102 1.391(4) . ?
C101 C106 1.400(4) . ?
C102 C103 1.387(4) . ?
C102 H10A 0.9500 . ?
C103 C104 1.381(4) . ?
C104 C105 1.375(4) . ?
C104 H10B 0.9500 . ?
C105 C106 1.384(4) . ?
C106 H10C 0.9500 . ?
C111 C116 1.402(4) . ?
C111 C112 1.408(4) . ?
C112 C113 1.376(4) . ?
C112 H11B 0.9500 . ?
C113 C114 1.373(4) . ?
C114 C115 1.379(4) . ?
C114 H11C 0.9500 . ?
C115 C116 1.379(4) . ?
C116 H11D 0.9500 . ?
C121 C126 1.394(4) . ?
C121 C122 1.397(4) . ?
C122 C123 1.387(4) . ?
C122 H12C 0.9500 . ?
C123 C124 1.374(4) . ?
C124 C125 1.387(4) . ?
C124 H12D 0.9500 . ?
C125 C126 1.380(4) . ?
C126 H12E 0.9500 . ?
C131 C136 1.399(4) . ?
C131 C132 1.405(4) . ?
C132 C133 1.381(4) . ?
C132 H13C 0.9500 . ?
C133 C134 1.379(4) . ?
C134 C135 1.377(4) . ?
C134 H13D 0.9500 . ?
C135 C136 1.384(4) . ?
C136 H13E 0.9500 . ?

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
Pb2 Pt1 P2 76.28(16) . . ?
Pb2 Pt1 P1 111.59(17) . . ?
P2 Pt1 P1 163.99(3) . . ?
Pb2 Pt1 Pb1 38.31(15) . . ?
P2 Pt1 Pb1 97.241(18) . . ?
P1 Pt1 Pb1 97.140(18) . . ?
Pt1 Pb1 Cl1 102.010(16) . 2_656 ?
Pt1 Pb1 Cl1 109.926(16) . . ?
Cl1 Pb1 Cl1 75.85(3) 2_656 . ?
Pt1 Pb2 C66 100.9(2) . . ?
Pt1 Pb2 P2 60.00(14) . . ?
C66 Pb2 P2 66.00(14) . . ?
Pt1 Pb2 Cl1 159.5(3) . . ?
C66 Pb2 Cl1 83.82(16) . . ?
P2 Pb2 Cl1 105.26(19) . . ?
Pt1 Pb2 Cl1 121.0(2) . 2_656 ?
C66 Pb2 Cl1 106.16(18) . 2_656 ?
P2 Pb2 Cl1 171.7(2) . 2_656 ?
Cl1 Pb2 Cl1 75.82(12) . 2_656 ?
Pb2 Cl1 Pb1 97.65(11) . 2_656 ?
Pb1 Cl1 Pb1 104.14(3) 2_656 . ?
Pb2 Cl1 Pb2 104.18(12) . 2_656 ?
Pb1 Cl1 Pb2 90.80(10) . 2_656 ?
C11 P1 C31 102.11(13) . . ?
C11 P1 C21 109.09(13) . . ?
C31 P1 C21 103.06(13) . . ?
C11 P1 Pt1 110.70(9) . . ?
C31 P1 Pt1 122.62(11) . . ?
C21 P1 Pt1 108.49(10) . . ?
C41 P2 C51 105.19(13) . . ?
C41 P2 C61 105.24(12) . . ?
C51 P2 C61 106.83(13) . . ?
C41 P2 Pt1 106.22(10) . . ?
C51 P2 Pt1 119.15(9) . . ?
C61 P2 Pt1 113.08(10) . . ?
C41 P2 Pb2 143.42(15) . . ?
C51 P2 Pb2 108.51(14) . . ?
C61 P2 Pb2 78.24(14) . . ?
C16 C11 C12 111.9(2) . . ?
C16 C11 P1 116.7(2) . . ?
C12 C11 P1 112.1(2) . . ?
C16 C11 H11A 105.0 . . ?
C12 C11 H11A 105.0 . . ?
P1 C11 H11A 105.0 . . ?
C13 C12 C11 111.5(2) . . ?
C13 C12 H12A 109.3 . . ?
C11 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C11 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 112.0(3) . . ?
C14 C13 H13A 109.2 . . ?
C12 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C12 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 C15 110.7(3) . . ?
C13 C14 H14A 109.5 . . ?
C15 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 110.9(3) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C11 110.3(2) . . ?
C15 C16 H16A 109.6 . . ?
C11 C16 H16A 109.6 . . ?
C15 C16 H16B 109.6 . . ?
C11 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C22 C21 C26 108.7(2) . . ?
C22 C21 P1 111.6(2) . . ?
C26 C21 P1 115.48(19) . . ?
C22 C21 H21A 106.9 . . ?
C26 C21 H21A 106.9 . . ?
P1 C21 H21A 106.9 . . ?
C23 C22 C21 111.2(3) . . ?
C23 C22 H22A 109.4 . . ?
C21 C22 H22A 109.4 . . ?
C23 C22 H22B 109.4 . . ?
C21 C22 H22B 109.4 . . ?
H22A C22 H22B 108.0 . . ?
C24 C23 C22 111.2(3) . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 110.9(3) . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 111.8(3) . . ?
C24 C25 H25A 109.3 . . ?
C26 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
C26 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
C25 C26 C21 110.5(2) . . ?
C25 C26 H26A 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C36 C31 C32 110.2(2) . . ?
C36 C31 P1 116.4(2) . . ?
C32 C31 P1 112.5(2) . . ?
C36 C31 H31A 105.6 . . ?
C32 C31 H31A 105.6 . . ?
P1 C31 H31A 105.6 . . ?
C31 C32 C33 111.2(3) . . ?
C31 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C34 C33 C32 111.9(3) . . ?
C34 C33 H33A 109.2 . . ?
C32 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
C32 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 C35 110.7(3) . . ?
C33 C34 H34A 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C35 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 C36 112.2(3) . . ?
C34 C35 H35A 109.2 . . ?
C36 C35 H35A 109.2 . . ?
C34 C35 H35B 109.2 . . ?
C36 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C31 C36 C35 110.8(3) . . ?
C31 C36 H36A 109.5 . . ?
C35 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C46 C41 C42 110.3(2) . . ?
C46 C41 P2 113.22(19) . . ?
C42 C41 P2 109.8(2) . . ?
C46 C41 H41A 107.8 . . ?
C42 C41 H41A 107.8 . . ?
P2 C41 H41A 107.8 . . ?
C43 C42 C41 111.3(3) . . ?
C43 C42 H42A 109.4 . . ?
C41 C42 H42A 109.4 . . ?
C43 C42 H42B 109.4 . . ?
C41 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
C44 C43 C42 111.4(2) . . ?
C44 C43 H43A 109.4 . . ?
C42 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C43 110.7(3) . . ?
C45 C44 H44A 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 108.1 . . ?
C44 C45 C46 111.6(3) . . ?
C44 C45 H45A 109.3 . . ?
C46 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
C45 C46 C41 110.5(2) . . ?
C45 C46 H46A 109.6 . . ?
C41 C46 H46A 109.6 . . ?
C45 C46 H46B 109.6 . . ?
C41 C46 H46B 109.6 . . ?
H46A C46 H46B 108.1 . . ?
C52 C51 C56 109.6(2) . . ?
C52 C51 P2 113.6(2) . . ?
C56 C51 P2 112.54(19) . . ?
C52 C51 H51A 106.9 . . ?
C56 C51 H51A 106.9 . . ?
P2 C51 H51A 106.9 . . ?
C51 C52 C53 113.4(2) . . ?
C51 C52 H52A 108.9 . . ?
C53 C52 H52A 108.9 . . ?
C51 C52 H52B 108.9 . . ?
C53 C52 H52B 108.9 . . ?
H52A C52 H52B 107.7 . . ?
C54 C53 C52 111.0(2) . . ?
C54 C53 H53A 109.4 . . ?
C52 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C53 C54 C55 110.2(2) . . ?
C53 C54 H54A 109.6 . . ?
C55 C54 H54A 109.6 . . ?
C53 C54 H54B 109.6 . . ?
C55 C54 H54B 109.6 . . ?
H54A C54 H54B 108.1 . . ?
C54 C55 C56 111.3(2) . . ?
C54 C55 H55A 109.4 . . ?
C56 C55 H55A 109.4 . . ?
C54 C55 H55B 109.4 . . ?
C56 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?
C55 C56 C51 112.3(2) . . ?
C55 C56 H56A 109.1 . . ?
C51 C56 H56A 109.1 . . ?
C55 C56 H56B 109.1 . . ?
C51 C56 H56B 109.1 . . ?
H56A C56 H56B 107.9 . . ?
C66 C61 C62 110.1(2) . . ?
C66 C61 P2 111.50(19) . . ?
C62 C61 P2 115.22(19) . . ?
C66 C61 H61A 106.5 . . ?
C62 C61 H61A 106.5 . . ?
P2 C61 H61A 106.5 . . ?
C63 C62 C61 110.9(2) . . ?
C63 C62 H62A 109.5 . . ?
C61 C62 H62A 109.5 . . ?
C63 C62 H62B 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 108.0 . . ?
C64 C63 C62 112.1(3) . . ?
C64 C63 H63A 109.2 . . ?
C62 C63 H63A 109.2 . . ?
C64 C63 H63B 109.2 . . ?
C62 C63 H63B 109.2 . . ?
H63A C63 H63B 107.9 . . ?
C63 C64 C65 110.9(2) . . ?
C63 C64 H64A 109.5 . . ?
C65 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C65 C64 H64B 109.5 . . ?
H64A C64 H64B 108.0 . . ?
C64 C65 C66 111.1(2) . . ?
C64 C65 H65A 109.4 . . ?
C66 C65 H65A 109.4 . . ?
C64 C65 H65B 109.4 . . ?
C66 C65 H65B 109.4 . . ?
H65A C65 H65B 108.0 . . ?
C65 C66 C61 110.9(2) . . ?
C65 C66 Pb2 132.5(2) . . ?
C61 C66 Pb2 85.26(19) . . ?
C65 C66 H66A 109.5 . . ?
C61 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C61 C66 H66B 109.5 . . ?
Pb2 C66 H66B 105.9 . . ?
H66A C66 H66B 108.0 . . ?
C111 B100 C121 111.1(2) . . ?
C111 B100 C131 112.3(2) . . ?
C121 B100 C131 109.1(2) . . ?
C111 B100 C101 109.0(2) . . ?
C121 B100 C101 107.2(2) . . ?
C131 B100 C101 108.0(2) . . ?
C102 C101 C106 116.2(3) . . ?
C102 C101 B100 123.0(3) . . ?
C106 C101 B100 120.7(3) . . ?
C103 C102 C101 121.4(3) . . ?
C103 C102 H10A 119.3 . . ?
C101 C102 H10A 119.3 . . ?
C104 C103 C102 122.3(3) . . ?
C104 C103 Cl91 119.9(2) . . ?
C102 C103 Cl91 117.8(2) . . ?
C105 C104 C103 116.3(3) . . ?
C105 C104 H10B 121.8 . . ?
C103 C104 H10B 121.8 . . ?
C104 C105 C106 122.5(3) . . ?
C104 C105 Cl90 118.5(2) . . ?
C106 C105 Cl90 119.0(2) . . ?
C105 C106 C101 121.2(3) . . ?
C105 C106 H10C 119.4 . . ?
C101 C106 H10C 119.4 . . ?
C116 C111 C112 115.6(3) . . ?
C116 C111 B100 125.3(3) . . ?
C112 C111 B100 119.0(2) . . ?
C113 C112 C111 122.0(3) . . ?
C113 C112 H11B 119.0 . . ?
C111 C112 H11B 119.0 . . ?
C114 C113 C112 122.1(3) . . ?
C114 C113 Cl92 118.9(2) . . ?
C112 C113 Cl92 119.0(2) . . ?
C113 C114 C115 116.3(3) . . ?
C113 C114 H11C 121.9 . . ?
C115 C114 H11C 121.9 . . ?
C116 C115 C114 123.3(3) . . ?
C116 C115 Cl93 119.2(2) . . ?
C114 C115 Cl93 117.5(2) . . ?
C115 C116 C111 120.7(3) . . ?
C115 C116 H11D 119.7 . . ?
C111 C116 H11D 119.7 . . ?
C126 C121 C122 116.6(3) . . ?
C126 C121 B100 119.1(3) . . ?
C122 C121 B100 123.8(3) . . ?
C123 C122 C121 120.5(3) . . ?
C123 C122 H12C 119.7 . . ?
C121 C122 H12C 119.7 . . ?
C124 C123 C122 122.8(3) . . ?
C124 C123 Cl94 118.4(2) . . ?
C122 C123 Cl94 118.8(2) . . ?
C123 C124 C125 116.5(3) . . ?
C123 C124 H12D 121.7 . . ?
C125 C124 H12D 121.7 . . ?
C126 C125 C124 121.8(3) . . ?
C126 C125 Cl95 119.2(2) . . ?
C124 C125 Cl95 119.0(2) . . ?
C125 C126 C121 121.6(3) . . ?
C125 C126 H12E 119.2 . . ?
C121 C126 H12E 119.2 . . ?
C136 C131 C132 116.2(3) . . ?
C136 C131 B100 123.0(2) . . ?
C132 C131 B100 120.8(2) . . ?
C133 C132 C131 120.8(3) . . ?
C133 C132 H13C 119.6 . . ?
C131 C132 H13C 119.6 . . ?
C134 C133 C132 123.0(3) . . ?
C134 C133 Cl96 117.7(2) . . ?
C132 C133 Cl96 119.3(2) . . ?
C135 C134 C133 116.2(3) . . ?
C135 C134 H13D 121.9 . . ?
C133 C134 H13D 121.9 . . ?
C134 C135 C136 122.4(3) . . ?
C134 C135 Cl97 118.7(2) . . ?
C136 C135 Cl97 118.9(2) . . ?
C135 C136 C131 121.4(3) . . ?
C135 C136 H13E 119.3 . . ?
C131 C136 H13E 119.3 . . ?

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
Pb2 Pt1 Pb1 Cl1 -59.3(3) . . . 2_656 ?
P2 Pt1 Pb1 Cl1 -116.21(2) . . . 2_656 ?
P1 Pt1 Pb1 Cl1 56.74(2) . . . 2_656 ?
Pb2 Pt1 Pb1 Cl1 19.8(3) . . . . ?
P2 Pt1 Pb1 Cl1 -37.09(3) . . . . ?
P1 Pt1 Pb1 Cl1 135.86(2) . . . . ?
P2 Pt1 Pb2 C66 -53.91(15) . . . . ?
P1 Pt1 Pb2 C66 111.44(16) . . . . ?
Pb1 Pt1 Pb2 C66 -175.1(4) . . . . ?
P1 Pt1 Pb2 P2 165.36(4) . . . . ?
Pb1 Pt1 Pb2 P2 -121.2(2) . . . . ?
P2 Pt1 Pb2 Cl1 47.6(7) . . . . ?
P1 Pt1 Pb2 Cl1 -147.1(7) . . . . ?
Pb1 Pt1 Pb2 Cl1 -73.6(7) . . . . ?
P2 Pt1 Pb2 Cl1 -170.4(2) . . . 2_656 ?
P1 Pt1 Pb2 Cl1 -5.0(3) . . . 2_656 ?
Pb1 Pt1 Pb2 Cl1 68.4(2) . . . 2_656 ?
Pt1 Pb2 Cl1 Pb1 -179.2(7) . . . 2_656 ?
C66 Pb2 Cl1 Pb1 -74.62(13) . . . 2_656 ?
P2 Pb2 Cl1 Pb1 -137.64(13) . . . 2_656 ?
Cl1 Pb2 Cl1 Pb1 33.81(8) 2_656 . . 2_656 ?
Pt1 Pb2 Cl1 Pb1 77.0(7) . . . . ?
C66 Pb2 Cl1 Pb1 -178.5(3) . . . . ?
P2 Pb2 Cl1 Pb1 118.5(3) . . . . ?
Cl1 Pb2 Cl1 Pb1 -70.06(16) 2_656 . . . ?
Pt1 Pb2 Cl1 Pb2 147.0(8) . . . 2_656 ?
C66 Pb2 Cl1 Pb2 -108.43(16) . . . 2_656 ?
P2 Pb2 Cl1 Pb2 -171.4(2) . . . 2_656 ?
Cl1 Pb2 Cl1 Pb2 0.0 2_656 . . 2_656 ?
Pt1 Pb1 Cl1 Pb2 -15.0(2) . . . . ?
Cl1 Pb1 Cl1 Pb2 82.9(2) 2_656 . . . ?
Pt1 Pb1 Cl1 Pb1 -97.87(2) . . . 2_656 ?
Cl1 Pb1 Cl1 Pb1 0.0 2_656 . . 2_656 ?
Pt1 Pb1 Cl1 Pb2 -129.27(10) . . . 2_656 ?
Cl1 Pb1 Cl1 Pb2 -31.40(10) 2_656 . . 2_656 ?
Pb2 Pt1 P1 C11 -35.73(19) . . . . ?
P2 Pt1 P1 C11 81.30(14) . . . . ?
Pb1 Pt1 P1 C11 -72.51(10) . . . . ?
Pb2 Pt1 P1 C31 84.81(19) . . . . ?
P2 Pt1 P1 C31 -158.16(13) . . . . ?
Pb1 Pt1 P1 C31 48.03(11) . . . . ?
Pb2 Pt1 P1 C21 -155.39(18) . . . . ?
P2 Pt1 P1 C21 -38.36(14) . . . . ?
Pb1 Pt1 P1 C21 167.83(9) . . . . ?
Pb2 Pt1 P2 C41 154.93(18) . . . . ?
P1 Pt1 P2 C41 33.42(14) . . . . ?
Pb1 Pt1 P2 C41 -172.77(9) . . . . ?
Pb2 Pt1 P2 C51 -86.72(19) . . . . ?
P1 Pt1 P2 C51 151.77(12) . . . . ?
Pb1 Pt1 P2 C51 -54.42(11) . . . . ?
Pb2 Pt1 P2 C61 40.01(18) . . . . ?
P1 Pt1 P2 C61 -81.50(14) . . . . ?
Pb1 Pt1 P2 C61 72.30(10) . . . . ?
P1 Pt1 P2 Pb2 -121.51(18) . . . . ?
Pb1 Pt1 P2 Pb2 32.30(16) . . . . ?
Pt1 Pb2 P2 C41 -43.0(3) . . . . ?
C66 Pb2 P2 C41 76.6(2) . . . . ?
Pt1 Pb2 P2 C51 113.15(14) . . . . ?
C66 Pb2 P2 C51 -127.17(13) . . . . ?
Pt1 Pb2 P2 C61 -142.84(16) . . . . ?
C66 Pb2 P2 C61 -23.15(12) . . . . ?
Cl1 Pb2 P2 C61 52.74(15) . . . . ?
C66 Pb2 P2 Pt1 119.68(18) . . . . ?
Cl1 Pb2 P2 Pt1 -164.4(2) . . . . ?
C31 P1 C11 C16 57.1(2) . . . . ?
C21 P1 C11 C16 -51.5(2) . . . . ?
Pt1 P1 C11 C16 -170.84(18) . . . . ?
C31 P1 C11 C12 -172.1(2) . . . . ?
C21 P1 C11 C12 79.4(2) . . . . ?
Pt1 P1 C11 C12 -39.9(2) . . . . ?
C16 C11 C12 C13 -52.4(3) . . . . ?
P1 C11 C12 C13 174.4(2) . . . . ?
C11 C12 C13 C14 53.1(3) . . . . ?
C12 C13 C14 C15 -56.2(4) . . . . ?
C13 C14 C15 C16 58.4(4) . . . . ?
C14 C15 C16 C11 -57.4(3) . . . . ?
C12 C11 C16 C15 54.5(3) . . . . ?
P1 C11 C16 C15 -174.5(2) . . . . ?
C11 P1 C21 C22 -164.2(2) . . . . ?
C31 P1 C21 C22 87.8(2) . . . . ?
Pt1 P1 C21 C22 -43.5(2) . . . . ?
C11 P1 C21 C26 -39.4(3) . . . . ?
C31 P1 C21 C26 -147.3(2) . . . . ?
Pt1 P1 C21 C26 81.3(2) . . . . ?
C26 C21 C22 C23 58.0(3) . . . . ?
P1 C21 C22 C23 -173.5(2) . . . . ?
C21 C22 C23 C24 -57.3(4) . . . . ?
C22 C23 C24 C25 55.1(4) . . . . ?
C23 C24 C25 C26 -55.5(4) . . . . ?
C24 C25 C26 C21 57.4(4) . . . . ?
C22 C21 C26 C25 -57.6(3) . . . . ?
P1 C21 C26 C25 176.1(2) . . . . ?
C11 P1 C31 C36 -165.5(2) . . . . ?
C21 P1 C31 C36 -52.3(3) . . . . ?
Pt1 P1 C31 C36 70.0(3) . . . . ?
C11 P1 C31 C32 66.0(3) . . . . ?
C21 P1 C31 C32 179.1(2) . . . . ?
Pt1 P1 C31 C32 -58.6(3) . . . . ?
C36 C31 C32 C33 56.6(4) . . . . ?
P1 C31 C32 C33 -171.7(2) . . . . ?
C31 C32 C33 C34 -56.4(4) . . . . ?
C32 C33 C34 C35 54.6(4) . . . . ?
C33 C34 C35 C36 -54.4(4) . . . . ?
C32 C31 C36 C35 -56.0(4) . . . . ?
P1 C31 C36 C35 174.3(2) . . . . ?
C34 C35 C36 C31 55.6(4) . . . . ?
C51 P2 C41 C46 -51.3(2) . . . . ?
C61 P2 C41 C46 -163.9(2) . . . . ?
Pt1 P2 C41 C46 75.9(2) . . . . ?
Pb2 P2 C41 C46 105.3(3) . . . . ?
C51 P2 C41 C42 -175.05(19) . . . . ?
C61 P2 C41 C42 72.3(2) . . . . ?
Pt1 P2 C41 C42 -47.8(2) . . . . ?
Pb2 P2 C41 C42 -18.4(3) . . . . ?
C46 C41 C42 C43 55.7(3) . . . . ?
P2 C41 C42 C43 -178.89(19) . . . . ?
C41 C42 C43 C44 -55.5(3) . . . . ?
C42 C43 C44 C45 55.6(4) . . . . ?
C43 C44 C45 C46 -56.7(3) . . . . ?
C44 C45 C46 C41 57.3(3) . . . . ?
C42 C41 C46 C45 -56.1(3) . . . . ?
P2 C41 C46 C45 -179.6(2) . . . . ?
C41 P2 C51 C52 175.0(2) . . . . ?
C61 P2 C51 C52 -73.5(2) . . . . ?
Pt1 P2 C51 C52 56.1(2) . . . . ?
Pb2 P2 C51 C52 9.5(2) . . . . ?
C41 P2 C51 C56 -59.7(2) . . . . ?
C61 P2 C51 C56 51.8(2) . . . . ?
Pt1 P2 C51 C56 -178.57(16) . . . . ?
Pb2 P2 C51 C56 134.7(2) . . . . ?
C56 C51 C52 C53 52.8(3) . . . . ?
P2 C51 C52 C53 179.6(2) . . . . ?
C51 C52 C53 C54 -55.7(3) . . . . ?
C52 C53 C54 C55 56.3(3) . . . . ?
C53 C54 C55 C56 -57.1(3) . . . . ?
C54 C55 C56 C51 56.1(3) . . . . ?
C52 C51 C56 C55 -52.8(3) . . . . ?
P2 C51 C56 C55 179.76(19) . . . . ?
C41 P2 C61 C66 -102.2(2) . . . . ?
C51 P2 C61 C66 146.28(19) . . . . ?
Pt1 P2 C61 C66 13.3(2) . . . . ?
Pb2 P2 C61 C66 40.3(2) . . . . ?
C41 P2 C61 C62 24.2(2) . . . . ?
C51 P2 C61 C62 -87.3(2) . . . . ?
Pt1 P2 C61 C62 139.72(19) . . . . ?
Pb2 P2 C61 C62 166.7(2) . . . . ?
C66 C61 C62 C63 -54.8(3) . . . . ?
P2 C61 C62 C63 178.0(2) . . . . ?
C61 C62 C63 C64 54.6(3) . . . . ?
C62 C63 C64 C65 -55.2(3) . . . . ?
C63 C64 C65 C66 56.6(3) . . . . ?
C64 C65 C66 C61 -57.9(3) . . . . ?
C64 C65 C66 Pb2 -161.2(3) . . . . ?
C62 C61 C66 C65 56.8(3) . . . . ?
P2 C61 C66 C65 -174.04(19) . . . . ?
C62 C61 C66 Pb2 -169.3(2) . . . . ?
P2 C61 C66 Pb2 -40.11(19) . . . . ?
Pt1 Pb2 C66 C65 -167.8(3) . . . . ?
P2 Pb2 C66 C65 142.2(3) . . . . ?
Cl1 Pb2 C66 C65 32.5(3) . . . . ?
Cl1 Pb2 C66 C65 -40.8(4) 2_656 . . . ?
Pt1 Pb2 C66 C61 78.1(2) . . . . ?
P2 Pb2 C66 C61 28.05(14) . . . . ?
Cl1 Pb2 C66 C61 -81.70(18) . . . . ?
Cl1 Pb2 C66 C61 -155.0(2) 2_656 . . . ?
C111 B100 C101 C102 147.1(3) . . . . ?
C121 B100 C101 C102 26.8(4) . . . . ?
C131 B100 C101 C102 -90.6(3) . . . . ?
C111 B100 C101 C106 -37.3(3) . . . . ?
C121 B100 C101 C106 -157.6(3) . . . . ?
C131 B100 C101 C106 84.9(3) . . . . ?
C106 C101 C102 C103 0.6(4) . . . . ?
B100 C101 C102 C103 176.3(3) . . . . ?
C101 C102 C103 C104 0.7(4) . . . . ?
C101 C102 C103 Cl91 -178.5(2) . . . . ?
C102 C103 C104 C105 -1.6(4) . . . . ?
Cl91 C103 C104 C105 177.6(2) . . . . ?
C103 C104 C105 C106 1.3(4) . . . . ?
C103 C104 C105 Cl90 -178.1(2) . . . . ?
C104 C105 C106 C101 -0.1(5) . . . . ?
Cl90 C105 C106 C101 179.3(2) . . . . ?
C102 C101 C106 C105 -0.9(4) . . . . ?
B100 C101 C106 C105 -176.7(3) . . . . ?
C121 B100 C111 C116 -101.4(3) . . . . ?
C131 B100 C111 C116 21.0(4) . . . . ?
C101 B100 C111 C116 140.7(3) . . . . ?
C121 B100 C111 C112 76.2(3) . . . . ?
C131 B100 C111 C112 -161.4(2) . . . . ?
C101 B100 C111 C112 -41.7(3) . . . . ?
C116 C111 C112 C113 -0.8(4) . . . . ?
B100 C111 C112 C113 -178.6(2) . . . . ?
C111 C112 C113 C114 0.1(4) . . . . ?
C111 C112 C113 Cl92 -179.6(2) . . . . ?
C112 C113 C114 C115 0.6(4) . . . . ?
Cl92 C113 C114 C115 -179.7(2) . . . . ?
C113 C114 C115 C116 -0.5(4) . . . . ?
C113 C114 C115 Cl93 178.5(2) . . . . ?
C114 C115 C116 C111 -0.2(4) . . . . ?
Cl93 C115 C116 C111 -179.2(2) . . . . ?
C112 C111 C116 C115 0.9(4) . . . . ?
B100 C111 C116 C115 178.5(2) . . . . ?
C111 B100 C121 C126 166.7(2) . . . . ?
C131 B100 C121 C126 42.5(3) . . . . ?
C101 B100 C121 C126 -74.3(3) . . . . ?
C111 B100 C121 C122 -21.6(4) . . . . ?
C131 B100 C121 C122 -145.8(3) . . . . ?
C101 B100 C121 C122 97.4(3) . . . . ?
C126 C121 C122 C123 2.5(4) . . . . ?
B100 C121 C122 C123 -169.4(3) . . . . ?
C121 C122 C123 C124 1.5(4) . . . . ?
C121 C122 C123 Cl94 179.8(2) . . . . ?
C122 C123 C124 C125 -3.0(4) . . . . ?
Cl94 C123 C124 C125 178.6(2) . . . . ?
C123 C124 C125 C126 0.6(4) . . . . ?
C123 C124 C125 Cl95 179.3(2) . . . . ?
C124 C125 C126 C121 3.4(4) . . . . ?
Cl95 C125 C126 C121 -175.3(2) . . . . ?
C122 C121 C126 C125 -4.8(4) . . . . ?
B100 C121 C126 C125 167.4(3) . . . . ?
C111 B100 C131 C136 108.4(3) . . . . ?
C121 B100 C131 C136 -128.1(3) . . . . ?
C101 B100 C131 C136 -11.9(4) . . . . ?
C111 B100 C131 C132 -73.3(3) . . . . ?
C121 B100 C131 C132 50.2(4) . . . . ?
C101 B100 C131 C132 166.4(3) . . . . ?
C136 C131 C132 C133 -0.8(4) . . . . ?
B100 C131 C132 C133 -179.2(3) . . . . ?
C131 C132 C133 C134 0.9(5) . . . . ?
C131 C132 C133 Cl96 180.0(2) . . . . ?
C132 C133 C134 C135 -0.3(5) . . . . ?
Cl96 C133 C134 C135 -179.4(2) . . . . ?
C133 C134 C135 C136 -0.3(5) . . . . ?
C133 C134 C135 Cl97 179.4(2) . . . . ?
C134 C135 C136 C131 0.3(5) . . . . ?
Cl97 C135 C136 C131 -179.4(2) . . . . ?
C132 C131 C136 C135 0.3(4) . . . . ?
B100 C131 C136 C135 178.6(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.068
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.098
_database_code_depnum_ccdc_archive 'CCDC 1002026'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_6



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H66 Al Cl4 I P2 Pb Pt'

_chemical_formula_sum            'C36 H66 Al Cl4 I P2 Pb Pt'
_chemical_formula_weight         1258.79

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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.381(4)
_cell_length_b                   13.612(4)
_cell_length_c                   13.987(3)
_cell_angle_alpha                92.698(10)
_cell_angle_beta                 111.864(13)
_cell_angle_gamma                101.984(10)
_cell_volume                     2290.9(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1212
_exptl_absorpt_coefficient_mu    7.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4356
_exptl_absorpt_correction_T_max  0.5401
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'ImS micro-focus sealed X-ray tube'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9338
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         26.37
_reflns_number_total             9338
_reflns_number_gt                8301
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2012.4-3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.18C (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.18C (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The 68 reported least-squares restraints as shown by 
 _refine_ls_number_restraints key are attributed to DELU keyword in ShelXL 
 input ('rigid bond' restraint for all bonds in the connectivity list. 
 Standard values of 0.01 for both parameters s1 and s2 were used).
 The displacement parameters of all atoms in the AlCl4 molecule were 
 restrained to the same value with similarity restraint SIMU. The distances 
 between all atoms in the AlCl4 molecule were restrained during refinement 
 to the same value with SADI restraint. The Uii displacement parameters of 
 all atoms in the AlCl4 molecule were restrained with ISOR keyword to 
 approximate isotropic behavior.  
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0797P)²+55.6142P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9338
_refine_ls_number_parameters     461
_refine_ls_number_restraints     68
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0507
_refine_ls_wR_factor_ref         0.1442
_refine_ls_wR_factor_gt          0.1397
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.003
_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
Pt1 Pt 0.11284(2) 0.22813(2) 0.22875(2) 0.01542(10) Uani 1 1 d . . .
Pb1 Pb 0.06988(3) 0.16888(3) 0.03359(3) 0.02835(12) Uani 1 1 d . . .
I1 I -0.13710(7) 0.02753(8) 0.00906(9) 0.0651(3) Uani 1 1 d . . .
P1 P -0.03928(17) 0.28892(16) 0.22475(16) 0.0165(4) Uani 1 1 d . . .
P2 P 0.28690(16) 0.20030(16) 0.29588(16) 0.0153(4) Uani 1 1 d . . .
C11 C -0.1297(8) 0.2015(7) 0.2718(8) 0.0267(19) Uani 1 1 d . . .
H11A H -0.1880 0.1585 0.2074 0.032 Uiso 1 1 calc R . .
C12 C -0.1950(8) 0.2503(7) 0.3228(8) 0.0262(19) Uani 1 1 d . . .
H12A H -0.1428 0.2916 0.3897 0.031 Uiso 1 1 calc R . .
H12B H -0.2329 0.2959 0.2769 0.031 Uiso 1 1 calc R . .
C13 C -0.0746(9) 0.1263(8) 0.3374(8) 0.032(2) Uani 1 1 d . . .
H13A H -0.0186 0.1626 0.4053 0.039 Uiso 1 1 calc R . .
H13B H -0.0361 0.0937 0.3015 0.039 Uiso 1 1 calc R . .
C14 C -0.1630(9) 0.0443(8) 0.3549(9) 0.036(2) Uani 1 1 d . . .
H14A H -0.2142 0.0034 0.2874 0.044 Uiso 1 1 calc R . .
H14B H -0.1260 -0.0016 0.4009 0.044 Uiso 1 1 calc R . .
C15 C -0.2804(10) 0.1705(9) 0.3420(10) 0.041(3) Uani 1 1 d . . .
H15A H -0.3156 0.2038 0.3809 0.049 Uiso 1 1 calc R . .
H15B H -0.3391 0.1364 0.2744 0.049 Uiso 1 1 calc R . .
C16 C -0.2288(10) 0.0916(9) 0.4033(9) 0.042(3) Uani 1 1 d . . .
H16A H -0.1793 0.1239 0.4749 0.051 Uiso 1 1 calc R . .
H16B H -0.2885 0.0375 0.4078 0.051 Uiso 1 1 calc R . .
C21 C -0.1361(8) 0.3339(9) 0.1103(7) 0.034(2) Uani 1 1 d . . .
H21A H -0.1372 0.4032 0.1362 0.041 Uiso 1 1 calc R . .
C22 C -0.0903(9) 0.3487(11) 0.0253(9) 0.042(3) Uani 1 1 d . . .
H22A H -0.0908 0.2817 -0.0061 0.050 Uiso 1 1 calc R . .
H22B H -0.0124 0.3891 0.0567 0.050 Uiso 1 1 calc R . .
C23 C -0.1597(10) 0.4033(10) -0.0611(10) 0.046(3) Uani 1 1 d . . .
H23A H -0.1531 0.4730 -0.0314 0.055 Uiso 1 1 calc R . .
H23B H -0.1305 0.4082 -0.1166 0.055 Uiso 1 1 calc R . .
C24 C -0.2802(10) 0.3460(13) -0.1066(9) 0.053(4) Uani 1 1 d . . .
H24A H -0.2875 0.2793 -0.1434 0.064 Uiso 1 1 calc R . .
H24B H -0.3241 0.3843 -0.1579 0.064 Uiso 1 1 calc R . .
C25 C -0.3256(10) 0.3304(14) -0.0227(11) 0.060(4) Uani 1 1 d . . .
H25A H -0.4031 0.2892 -0.0541 0.072 Uiso 1 1 calc R . .
H25B H -0.3258 0.3969 0.0090 0.072 Uiso 1 1 calc R . .
C26 C -0.2544(9) 0.2759(10) 0.0634(9) 0.044(3) Uani 1 1 d . . .
H26A H -0.2844 0.2687 0.1183 0.053 Uiso 1 1 calc R . .
H26B H -0.2592 0.2071 0.0329 0.053 Uiso 1 1 calc R . .
C31 C 0.0268(7) 0.4082(6) 0.3155(7) 0.0202(17) Uani 1 1 d . . .
H31A H -0.0333 0.4400 0.3183 0.024 Uiso 1 1 calc R . .
C32 C 0.0936(7) 0.3877(7) 0.4271(7) 0.0243(18) Uani 1 1 d . . .
H32A H 0.0421 0.3461 0.4536 0.029 Uiso 1 1 calc R . .
H32B H 0.1476 0.3489 0.4246 0.029 Uiso 1 1 calc R . .
C33 C 0.0987(8) 0.4797(7) 0.2773(8) 0.031(2) Uani 1 1 d . . .
H33A H 0.0522 0.4969 0.2096 0.037 Uiso 1 1 calc R . .
H33B H 0.1528 0.4460 0.2657 0.037 Uiso 1 1 calc R . .
C34 C 0.1625(9) 0.5787(8) 0.3538(10) 0.040(3) Uani 1 1 d . . .
H34A H 0.2132 0.6213 0.3271 0.048 Uiso 1 1 calc R . .
H34B H 0.1091 0.6173 0.3587 0.048 Uiso 1 1 calc R . .
C35 C 0.2283(8) 0.5557(8) 0.4599(9) 0.037(2) Uani 1 1 d . . .
H35A H 0.2869 0.5235 0.4561 0.044 Uiso 1 1 calc R . .
H35B H 0.2650 0.6198 0.5084 0.044 Uiso 1 1 calc R . .
C36 C 0.1551(9) 0.4860(8) 0.5010(9) 0.038(2) Uani 1 1 d . . .
H36A H 0.1007 0.5206 0.5107 0.046 Uiso 1 1 calc R . .
H36B H 0.2012 0.4704 0.5697 0.046 Uiso 1 1 calc R . .
C41 C 0.3114(7) 0.2492(7) 0.6023(6) 0.0224(18) Uani 1 1 d . . .
H41A H 0.2788 0.2036 0.6419 0.027 Uiso 1 1 calc R . .
H41B H 0.2784 0.3086 0.5948 0.027 Uiso 1 1 calc R . .
C42 C 0.4925(7) 0.3509(7) 0.6017(7) 0.0248(18) Uani 1 1 d . . .
H42A H 0.4658 0.4138 0.5929 0.030 Uiso 1 1 calc R . .
H42B H 0.5739 0.3702 0.6409 0.030 Uiso 1 1 calc R . .
C43 C 0.2831(7) 0.1942(6) 0.4963(6) 0.0198(16) Uani 1 1 d . . .
H43A H 0.2015 0.1767 0.4576 0.024 Uiso 1 1 calc R . .
H43B H 0.3078 0.1303 0.5040 0.024 Uiso 1 1 calc R . .
C44 C 0.4655(7) 0.2940(7) 0.4954(7) 0.0220(17) Uani 1 1 d . . .
H44A H 0.4974 0.2340 0.5042 0.026 Uiso 1 1 calc R . .
H44B H 0.4996 0.3386 0.4561 0.026 Uiso 1 1 calc R . .
C45 C 0.4376(8) 0.2850(7) 0.6631(7) 0.0253(19) Uani 1 1 d . . .
H45A H 0.4533 0.3244 0.7305 0.030 Uiso 1 1 calc R . .
H45B H 0.4696 0.2253 0.6775 0.030 Uiso 1 1 calc R . .
C46 C 0.3391(6) 0.2597(6) 0.4334(6) 0.0180(16) Uani 1 1 d . . .
H46A H 0.3122 0.3232 0.4300 0.022 Uiso 1 1 calc R . .
C51 C 0.2983(7) 0.0675(6) 0.2893(7) 0.0198(17) Uani 1 1 d . . .
H51A H 0.2893 0.0479 0.2162 0.024 Uiso 1 1 calc R . .
C52 C 0.2031(7) -0.0072(7) 0.3041(7) 0.0231(18) Uani 1 1 d . . .
H52A H 0.2075 0.0076 0.3758 0.028 Uiso 1 1 calc R . .
H52B H 0.1309 0.0015 0.2551 0.028 Uiso 1 1 calc R . .
C53 C 0.2104(8) -0.1165(7) 0.2851(8) 0.028(2) Uani 1 1 d . . .
H53A H 0.1970 -0.1337 0.2111 0.033 Uiso 1 1 calc R . .
H53B H 0.1518 -0.1629 0.2998 0.033 Uiso 1 1 calc R . .
C54 C 0.4181(7) -0.0585(7) 0.3373(7) 0.0238(18) Uani 1 1 d . . .
H54A H 0.4108 -0.0734 0.2647 0.029 Uiso 1 1 calc R . .
H54B H 0.4911 -0.0676 0.3842 0.029 Uiso 1 1 calc R . .
C55 C 0.4125(7) 0.0520(6) 0.3580(7) 0.0197(16) Uani 1 1 d . . .
H55A H 0.4261 0.0687 0.4322 0.024 Uiso 1 1 calc R . .
H55B H 0.4711 0.0982 0.3434 0.024 Uiso 1 1 calc R . .
C56 C 0.3259(8) -0.1321(7) 0.3550(8) 0.0268(19) Uani 1 1 d . . .
H56A H 0.3366 -0.1210 0.4290 0.032 Uiso 1 1 calc R . .
H56B H 0.3292 -0.2026 0.3386 0.032 Uiso 1 1 calc R . .
C61 C 0.3773(7) 0.3785(6) 0.2388(7) 0.0237(18) Uani 1 1 d . . .
H61A H 0.3861 0.4114 0.3070 0.028 Uiso 1 1 calc R . .
H61B H 0.3023 0.3781 0.1877 0.028 Uiso 1 1 calc R . .
C62 C 0.3894(6) 0.2687(6) 0.2473(6) 0.0173(16) Uani 1 1 d . . .
H62A H 0.4651 0.2720 0.3008 0.021 Uiso 1 1 calc R . .
C63 C 0.3826(8) 0.2184(7) 0.1448(7) 0.0238(18) Uani 1 1 d . . .
H63A H 0.3075 0.2116 0.0907 0.029 Uiso 1 1 calc R . .
H63B H 0.3950 0.1495 0.1530 0.029 Uiso 1 1 calc R . .
C64 C 0.4667(8) 0.4391(7) 0.2037(8) 0.032(2) Uani 1 1 d . . .
H64A H 0.4565 0.5086 0.1956 0.038 Uiso 1 1 calc R . .
H64B H 0.5415 0.4443 0.2579 0.038 Uiso 1 1 calc R . .
C65 C 0.4691(8) 0.2802(7) 0.1096(8) 0.029(2) Uani 1 1 d . . .
H65A H 0.5444 0.2806 0.1600 0.034 Uiso 1 1 calc R . .
H65B H 0.4600 0.2473 0.0412 0.034 Uiso 1 1 calc R . .
C66 C 0.4587(9) 0.3874(7) 0.1010(8) 0.031(2) Uani 1 1 d . . .
H66A H 0.3864 0.3877 0.0454 0.037 Uiso 1 1 calc R . .
H66B H 0.5183 0.4257 0.0818 0.037 Uiso 1 1 calc R . .
Al80 Al 0.1481(4) 0.3108(4) 0.7827(4) 0.0249(10) Uani 0.779(7) 1 d PD A 1
Cl81 Cl 0.0533(4) 0.3413(4) 0.8712(4) 0.0342(11) Uani 0.779(7) 1 d PDU A 1
Cl82 Cl 0.2532(3) 0.4517(3) 0.7823(3) 0.0476(11) Uani 0.779(7) 1 d PDU A 1
Cl83 Cl 0.2404(4) 0.2077(4) 0.8578(3) 0.0582(14) Uani 0.779(7) 1 d PDU A 1
Cl84 Cl 0.0379(4) 0.2422(4) 0.6296(3) 0.0323(11) Uani 0.779(7) 1 d PDU A 1
Al90 Al 0.1411(12) 0.2832(9) 0.7911(13) 0.033(3) Uani 0.221(7) 1 d PDU A 2
Cl91 Cl 0.0840(15) 0.3492(16) 0.8985(14) 0.032(3) Uani 0.221(7) 1 d PDU A 2
Cl92 Cl 0.2911(11) 0.3891(12) 0.8097(11) 0.048(3) Uani 0.221(7) 1 d PDU A 2
Cl93 Cl 0.0286(17) 0.2727(15) 0.6349(13) 0.037(4) Uani 0.221(7) 1 d PDU A 2
Cl94 Cl 0.1581(13) 0.1382(10) 0.8345(11) 0.049(3) Uani 0.221(7) 1 d PDU A 2


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P2 2.285(2) . ?
Pt1 P1 2.334(2) . ?
Pt1 Pb1 2.6199(7) . ?
Pb1 I1 2.9167(13) . ?
Pb1 I1 3.0919(12) 2 ?
I1 Pb1 3.0919(12) 2 ?
P1 C11 1.839(9) . ?
P1 C31 1.845(9) . ?
P1 C21 1.869(9) . ?
P2 C51 1.847(9) . ?
P2 C62 1.853(8) . ?
P2 C46 1.859(8) . ?
C11 C13 1.527(14) . ?
C11 C12 1.540(12) . ?
C11 H11A 1.0000 . ?
C12 C15 1.516(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.549(14) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C16 1.511(16) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.523(17) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C26 1.490(15) . ?
C21 C22 1.531(14) . ?
C21 H21A 1.0000 . ?
C22 C23 1.553(15) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.509(18) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.514(17) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.558(16) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C33 1.485(13) . ?
C31 C32 1.555(12) . ?
C31 H31A 1.0000 . ?
C32 C36 1.522(13) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.548(15) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.504(16) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.509(15) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C43 1.504(12) . ?
C41 C45 1.537(12) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C44 1.522(12) . ?
C42 C45 1.533(13) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C46 1.556(11) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C46 1.540(11) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 1.0000 . ?
C51 C55 1.537(11) . ?
C51 C52 1.541(11) . ?
C51 H51A 1.0000 . ?
C52 C53 1.528(13) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C56 1.556(13) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C56 1.524(13) . ?
C54 C55 1.540(12) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C62 1.541(12) . ?
C61 C64 1.555(12) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.523(12) . ?
C62 H62A 1.0000 . ?
C63 C65 1.533(12) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C66 1.526(14) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.501(14) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
Al80 Cl83 2.120(6) . ?
Al80 Cl84 2.126(5) . ?
Al80 Cl82 2.132(6) . ?
Al80 Cl81 2.157(4) . ?
Al90 Cl93 2.119(8) . ?
Al90 Cl94 2.125(7) . ?
Al90 Cl92 2.132(7) . ?
Al90 Cl91 2.158(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pt1 P1 157.96(8) . . ?
P2 Pt1 Pb1 96.67(5) . . ?
P1 Pt1 Pb1 104.81(5) . . ?
Pt1 Pb1 I1 91.78(3) . . ?
Pt1 Pb1 I1 115.75(3) . 2 ?
I1 Pb1 I1 83.11(3) . 2 ?
Pb1 I1 Pb1 96.89(3) . 2 ?
C11 P1 C31 110.0(4) . . ?
C11 P1 C21 105.1(5) . . ?
C31 P1 C21 100.6(5) . . ?
C11 P1 Pt1 111.8(3) . . ?
C31 P1 Pt1 102.7(3) . . ?
C21 P1 Pt1 125.6(3) . . ?
C51 P2 C62 105.2(4) . . ?
C51 P2 C46 110.7(4) . . ?
C62 P2 C46 103.8(4) . . ?
C51 P2 Pt1 117.4(3) . . ?
C62 P2 Pt1 116.9(3) . . ?
C46 P2 Pt1 101.9(3) . . ?
C13 C11 C12 111.2(8) . . ?
C13 C11 P1 114.6(7) . . ?
C12 C11 P1 116.0(7) . . ?
C13 C11 H11A 104.5 . . ?
C12 C11 H11A 104.5 . . ?
P1 C11 H11A 104.5 . . ?
C15 C12 C11 111.3(8) . . ?
C15 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C15 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C11 C13 C14 110.0(9) . . ?
C11 C13 H13A 109.7 . . ?
C14 C13 H13A 109.7 . . ?
C11 C13 H13B 109.7 . . ?
C14 C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
C16 C14 C13 111.3(9) . . ?
C16 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
C16 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 C12 111.9(9) . . ?
C16 C15 H15A 109.2 . . ?
C12 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
C12 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C14 C16 C15 112.8(9) . . ?
C14 C16 H16A 109.0 . . ?
C15 C16 H16A 109.0 . . ?
C14 C16 H16B 109.0 . . ?
C15 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C26 C21 C22 109.8(9) . . ?
C26 C21 P1 117.9(8) . . ?
C22 C21 P1 111.5(7) . . ?
C26 C21 H21A 105.5 . . ?
C22 C21 H21A 105.5 . . ?
P1 C21 H21A 105.5 . . ?
C21 C22 C23 111.7(9) . . ?
C21 C22 H22A 109.3 . . ?
C23 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
C23 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C22 110.4(10) . . ?
C24 C23 H23A 109.6 . . ?
C22 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
C22 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?
C23 C24 C25 111.2(11) . . ?
C23 C24 H24A 109.4 . . ?
C25 C24 H24A 109.4 . . ?
C23 C24 H24B 109.4 . . ?
C25 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C24 C25 C26 111.1(10) . . ?
C24 C25 H25A 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C21 C26 C25 111.0(10) . . ?
C21 C26 H26A 109.4 . . ?
C25 C26 H26A 109.4 . . ?
C21 C26 H26B 109.4 . . ?
C25 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C33 C31 C32 111.1(7) . . ?
C33 C31 P1 110.3(7) . . ?
C32 C31 P1 111.0(6) . . ?
C33 C31 H31A 108.1 . . ?
C32 C31 H31A 108.1 . . ?
P1 C31 H31A 108.1 . . ?
C36 C32 C31 111.5(8) . . ?
C36 C32 H32A 109.3 . . ?
C31 C32 H32A 109.3 . . ?
C36 C32 H32B 109.3 . . ?
C31 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C31 C33 C34 112.8(9) . . ?
C31 C33 H33A 109.0 . . ?
C34 C33 H33A 109.0 . . ?
C31 C33 H33B 109.0 . . ?
C34 C33 H33B 109.0 . . ?
H33A C33 H33B 107.8 . . ?
C35 C34 C33 110.8(8) . . ?
C35 C34 H34A 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
C36 C35 C34 111.3(9) . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C32 111.4(9) . . ?
C35 C36 H36A 109.4 . . ?
C32 C36 H36A 109.4 . . ?
C35 C36 H36B 109.4 . . ?
C32 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
C43 C41 C45 111.5(7) . . ?
C43 C41 H41A 109.3 . . ?
C45 C41 H41A 109.3 . . ?
C43 C41 H41B 109.3 . . ?
C45 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
C44 C42 C45 110.7(7) . . ?
C44 C42 H42A 109.5 . . ?
C45 C42 H42A 109.5 . . ?
C44 C42 H42B 109.5 . . ?
C45 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
C41 C43 C46 111.6(7) . . ?
C41 C43 H43A 109.3 . . ?
C46 C43 H43A 109.3 . . ?
C41 C43 H43B 109.3 . . ?
C46 C43 H43B 109.3 . . ?
H43A C43 H43B 108.0 . . ?
C42 C44 C46 111.0(7) . . ?
C42 C44 H44A 109.4 . . ?
C46 C44 H44A 109.4 . . ?
C42 C44 H44B 109.4 . . ?
C46 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C42 C45 C41 111.1(7) . . ?
C42 C45 H45A 109.4 . . ?
C41 C45 H45A 109.4 . . ?
C42 C45 H45B 109.4 . . ?
C41 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C44 C46 C43 110.3(7) . . ?
C44 C46 P2 118.4(6) . . ?
C43 C46 P2 111.5(5) . . ?
C44 C46 H46A 105.1 . . ?
C43 C46 H46A 105.1 . . ?
P2 C46 H46A 105.1 . . ?
C55 C51 C52 111.8(7) . . ?
C55 C51 P2 114.7(6) . . ?
C52 C51 P2 113.5(6) . . ?
C55 C51 H51A 105.3 . . ?
C52 C51 H51A 105.3 . . ?
P2 C51 H51A 105.3 . . ?
C53 C52 C51 110.6(7) . . ?
C53 C52 H52A 109.5 . . ?
C51 C52 H52A 109.5 . . ?
C53 C52 H52B 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 108.1 . . ?
C52 C53 C56 111.5(7) . . ?
C52 C53 H53A 109.3 . . ?
C56 C53 H53A 109.3 . . ?
C52 C53 H53B 109.3 . . ?
C56 C53 H53B 109.3 . . ?
H53A C53 H53B 108.0 . . ?
C56 C54 C55 110.9(7) . . ?
C56 C54 H54A 109.5 . . ?
C55 C54 H54A 109.5 . . ?
C56 C54 H54B 109.5 . . ?
C55 C54 H54B 109.5 . . ?
H54A C54 H54B 108.1 . . ?
C51 C55 C54 110.7(7) . . ?
C51 C55 H55A 109.5 . . ?
C54 C55 H55A 109.5 . . ?
C51 C55 H55B 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 108.1 . . ?
C54 C56 C53 110.5(7) . . ?
C54 C56 H56A 109.6 . . ?
C53 C56 H56A 109.6 . . ?
C54 C56 H56B 109.6 . . ?
C53 C56 H56B 109.6 . . ?
H56A C56 H56B 108.1 . . ?
C62 C61 C64 109.9(7) . . ?
C62 C61 H61A 109.7 . . ?
C64 C61 H61A 109.7 . . ?
C62 C61 H61B 109.7 . . ?
C64 C61 H61B 109.7 . . ?
H61A C61 H61B 108.2 . . ?
C63 C62 C61 110.6(7) . . ?
C63 C62 P2 114.6(6) . . ?
C61 C62 P2 109.0(6) . . ?
C63 C62 H62A 107.5 . . ?
C61 C62 H62A 107.5 . . ?
P2 C62 H62A 107.5 . . ?
C62 C63 C65 111.3(7) . . ?
C62 C63 H63A 109.4 . . ?
C65 C63 H63A 109.4 . . ?
C62 C63 H63B 109.4 . . ?
C65 C63 H63B 109.4 . . ?
H63A C63 H63B 108.0 . . ?
C66 C64 C61 111.0(7) . . ?
C66 C64 H64A 109.4 . . ?
C61 C64 H64A 109.4 . . ?
C66 C64 H64B 109.4 . . ?
C61 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C66 C65 C63 112.0(8) . . ?
C66 C65 H65A 109.2 . . ?
C63 C65 H65A 109.2 . . ?
C66 C65 H65B 109.2 . . ?
C63 C65 H65B 109.2 . . ?
H65A C65 H65B 107.9 . . ?
C65 C66 C64 110.7(8) . . ?
C65 C66 H66A 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 108.1 . . ?
Cl83 Al80 Cl84 109.2(3) . . ?
Cl83 Al80 Cl82 111.9(3) . . ?
Cl84 Al80 Cl82 111.8(3) . . ?
Cl83 Al80 Cl81 107.0(3) . . ?
Cl84 Al80 Cl81 109.4(3) . . ?
Cl82 Al80 Cl81 107.4(3) . . ?
Cl93 Al90 Cl94 111.8(9) . . ?
Cl93 Al90 Cl92 107.5(10) . . ?
Cl94 Al90 Cl92 115.8(10) . . ?
Cl93 Al90 Cl91 111.5(10) . . ?
Cl94 Al90 Cl91 105.6(9) . . ?
Cl92 Al90 Cl91 104.6(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Pt1 Pb1 I1 126.79(6) . . . . ?
P1 Pt1 Pb1 I1 -58.15(6) . . . . ?
P2 Pt1 Pb1 I1 43.58(6) . . . 2 ?
P1 Pt1 Pb1 I1 -141.36(6) . . . 2 ?
Pt1 Pb1 I1 Pb1 -115.73(3) . . . 2 ?
I1 Pb1 I1 Pb1 0.0 2 . . 2 ?
P2 Pt1 P1 C11 -86.4(4) . . . . ?
Pb1 Pt1 P1 C11 106.8(3) . . . . ?
P2 Pt1 P1 C31 31.4(4) . . . . ?
Pb1 Pt1 P1 C31 -135.4(3) . . . . ?
P2 Pt1 P1 C21 144.5(5) . . . . ?
Pb1 Pt1 P1 C21 -22.3(5) . . . . ?
P1 Pt1 P2 C51 124.7(4) . . . . ?
Pb1 Pt1 P2 C51 -68.1(3) . . . . ?
P1 Pt1 P2 C62 -108.8(3) . . . . ?
Pb1 Pt1 P2 C62 58.4(3) . . . . ?
P1 Pt1 P2 C46 3.6(4) . . . . ?
Pb1 Pt1 P2 C46 170.8(3) . . . . ?
C31 P1 C11 C13 -93.9(8) . . . . ?
C21 P1 C11 C13 158.6(7) . . . . ?
Pt1 P1 C11 C13 19.5(8) . . . . ?
C31 P1 C11 C12 37.8(8) . . . . ?
C21 P1 C11 C12 -69.7(8) . . . . ?
Pt1 P1 C11 C12 151.2(6) . . . . ?
C13 C11 C12 C15 -56.2(11) . . . . ?
P1 C11 C12 C15 170.5(8) . . . . ?
C12 C11 C13 C14 56.7(11) . . . . ?
P1 C11 C13 C14 -169.3(7) . . . . ?
C11 C13 C14 C16 -55.7(12) . . . . ?
C11 C12 C15 C16 53.4(12) . . . . ?
C13 C14 C16 C15 54.0(13) . . . . ?
C12 C15 C16 C14 -53.1(13) . . . . ?
C11 P1 C21 C26 -15.8(10) . . . . ?
C31 P1 C21 C26 -130.1(9) . . . . ?
Pt1 P1 C21 C26 115.8(8) . . . . ?
C11 P1 C21 C22 -144.2(9) . . . . ?
C31 P1 C21 C22 101.5(9) . . . . ?
Pt1 P1 C21 C22 -12.6(11) . . . . ?
C26 C21 C22 C23 57.2(14) . . . . ?
P1 C21 C22 C23 -170.1(9) . . . . ?
C21 C22 C23 C24 -56.0(15) . . . . ?
C22 C23 C24 C25 55.1(16) . . . . ?
C23 C24 C25 C26 -55.8(18) . . . . ?
C22 C21 C26 C25 -57.1(14) . . . . ?
P1 C21 C26 C25 173.7(9) . . . . ?
C24 C25 C26 C21 57.2(17) . . . . ?
C11 P1 C31 C33 -179.2(6) . . . . ?
C21 P1 C31 C33 -68.7(7) . . . . ?
Pt1 P1 C31 C33 61.7(6) . . . . ?
C11 P1 C31 C32 57.2(7) . . . . ?
C21 P1 C31 C32 167.6(6) . . . . ?
Pt1 P1 C31 C32 -61.9(6) . . . . ?
C33 C31 C32 C36 52.8(10) . . . . ?
P1 C31 C32 C36 176.0(6) . . . . ?
C32 C31 C33 C34 -52.7(10) . . . . ?
P1 C31 C33 C34 -176.3(7) . . . . ?
C31 C33 C34 C35 54.9(11) . . . . ?
C33 C34 C35 C36 -55.9(12) . . . . ?
C34 C35 C36 C32 57.0(12) . . . . ?
C31 C32 C36 C35 -54.7(11) . . . . ?
C45 C41 C43 C46 -55.0(10) . . . . ?
C45 C42 C44 C46 57.3(10) . . . . ?
C44 C42 C45 C41 -56.5(10) . . . . ?
C43 C41 C45 C42 55.7(10) . . . . ?
C42 C44 C46 C43 -56.1(9) . . . . ?
C42 C44 C46 P2 173.8(6) . . . . ?
C41 C43 C46 C44 55.2(9) . . . . ?
C41 C43 C46 P2 -171.1(6) . . . . ?
C51 P2 C46 C44 77.3(7) . . . . ?
C62 P2 C46 C44 -35.1(7) . . . . ?
Pt1 P2 C46 C44 -157.1(6) . . . . ?
C51 P2 C46 C43 -52.3(7) . . . . ?
C62 P2 C46 C43 -164.7(6) . . . . ?
Pt1 P2 C46 C43 73.4(6) . . . . ?
C62 P2 C51 C55 62.1(7) . . . . ?
C46 P2 C51 C55 -49.5(7) . . . . ?
Pt1 P2 C51 C55 -165.9(5) . . . . ?
C62 P2 C51 C52 -167.7(6) . . . . ?
C46 P2 C51 C52 80.8(7) . . . . ?
Pt1 P2 C51 C52 -35.6(7) . . . . ?
C55 C51 C52 C53 -55.0(10) . . . . ?
P2 C51 C52 C53 173.3(6) . . . . ?
C51 C52 C53 C56 55.1(10) . . . . ?
C52 C51 C55 C54 55.8(9) . . . . ?
P2 C51 C55 C54 -173.2(6) . . . . ?
C56 C54 C55 C51 -56.9(10) . . . . ?
C55 C54 C56 C53 57.0(10) . . . . ?
C52 C53 C56 C54 -56.6(10) . . . . ?
C64 C61 C62 C63 -56.2(9) . . . . ?
C64 C61 C62 P2 177.0(6) . . . . ?
C51 P2 C62 C63 49.5(7) . . . . ?
C46 P2 C62 C63 165.8(6) . . . . ?
Pt1 P2 C62 C63 -82.9(6) . . . . ?
C51 P2 C62 C61 174.0(6) . . . . ?
C46 P2 C62 C61 -69.7(6) . . . . ?
Pt1 P2 C62 C61 41.7(6) . . . . ?
C61 C62 C63 C65 55.7(10) . . . . ?
P2 C62 C63 C65 179.4(6) . . . . ?
C62 C61 C64 C66 56.8(11) . . . . ?
C62 C63 C65 C66 -56.0(11) . . . . ?
C63 C65 C66 C64 56.1(11) . . . . ?
C61 C64 C66 C65 -56.7(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         3.376
_refine_diff_density_min         -6.349
_refine_diff_density_rms         0.287


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 1.000 134 41 ' '
_platon_squeeze_details          
;
;


# start Validation Reply Form
_vrf_PLAT973_6                   
;
PROBLEM: Large Calcd. Positive Residual Density on    Pt1       2.48 eA-3  
RESPONSE: Due to a very small crystal the collected data is of moderate quality.
However, we think the data is good enough for structural evidence and 
a careful discussion concerning the geometry around the Pt and Pb atom.
;
_database_code_depnum_ccdc_archive 'CCDC 1002027'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_7



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H66 Al2 Cl8 P2 Pb Pt'

_chemical_formula_sum            'C36 H66 Al2 Cl8 P2 Pb Pt'
_chemical_formula_weight         1300.67

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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 '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
_symmetry_space_group_name_Hall  '-C 2yc'

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                   20.719(2)
_cell_length_b                   10.6901(9)
_cell_length_c                   23.859(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.311(4)
_cell_angle_gamma                90.00
_cell_volume                     4923.2(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3296
_cell_measurement_theta_min      3.52
_cell_measurement_theta_max      27.86

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2536
_exptl_absorpt_coefficient_mu    6.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5233
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20613
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         26.37
_reflns_number_total             5044
_reflns_number_gt                4510
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0134P)²+13.8384P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5044
_refine_ls_number_parameters     227
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0213
_refine_ls_wR_factor_ref         0.0431
_refine_ls_wR_factor_gt          0.0417
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.004
_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
Pt1 Pt 0.0000 0.760310(15) 0.7500 0.00896(5) Uani 1 2 d S . .
Pb1 Pb 0.0000 1.000127(15) 0.7500 0.01600(5) Uani 1 2 d S . .
Al4 Al -0.11482(6) 1.15357(10) 0.84165(5) 0.0224(2) Uani 1 1 d . . .
P1 P 0.04518(4) 0.72676(7) 0.85323(4) 0.00979(16) Uani 1 1 d . . .
Cl1 Cl -0.12782(5) 0.99499(9) 0.78123(4) 0.0293(2) Uani 1 1 d . . .
Cl2 Cl -0.09385(7) 1.07808(10) 0.92904(5) 0.0458(3) Uani 1 1 d . . .
Cl3 Cl -0.20542(6) 1.26396(11) 0.81094(7) 0.0566(4) Uani 1 1 d . . .
Cl4 Cl -0.02577(5) 1.25271(8) 0.83894(4) 0.0284(2) Uani 1 1 d . . .
C11 C 0.08584(16) 0.5689(3) 0.86069(14) 0.0122(6) Uani 1 1 d . . .
H11A H 0.0489 0.5067 0.8581 0.015 Uiso 1 1 calc R . .
C12 C 0.14632(16) 0.5443(3) 0.92100(15) 0.0161(7) Uani 1 1 d . . .
H12A H 0.1829 0.6079 0.9268 0.019 Uiso 1 1 calc R . .
H12B H 0.1293 0.5520 0.9546 0.019 Uiso 1 1 calc R . .
C13 C 0.17697(18) 0.4132(3) 0.92179(15) 0.0192(7) Uani 1 1 d . . .
H13A H 0.2165 0.4007 0.9601 0.023 Uiso 1 1 calc R . .
H13B H 0.1414 0.3493 0.9193 0.023 Uiso 1 1 calc R . .
C14 C 0.20149(18) 0.3969(3) 0.86916(16) 0.0209(8) Uani 1 1 d . . .
H14A H 0.2380 0.4592 0.8722 0.025 Uiso 1 1 calc R . .
H14B H 0.2216 0.3124 0.8707 0.025 Uiso 1 1 calc R . .
C15 C 0.14090(19) 0.4140(3) 0.80965(16) 0.0214(8) Uani 1 1 d . . .
H15A H 0.1057 0.3486 0.8056 0.026 Uiso 1 1 calc R . .
H15B H 0.1575 0.4044 0.7759 0.026 Uiso 1 1 calc R . .
C16 C 0.10798(17) 0.5436(3) 0.80647(14) 0.0165(7) Uani 1 1 d . . .
H16A H 0.0669 0.5500 0.7688 0.020 Uiso 1 1 calc R . .
H16B H 0.1416 0.6083 0.8053 0.020 Uiso 1 1 calc R . .
C21 C -0.02199(15) 0.7205(3) 0.88663(14) 0.0110(6) Uani 1 1 d . . .
H21A H -0.0369 0.8089 0.8884 0.013 Uiso 1 1 calc R . .
C22 C -0.08724(16) 0.6494(3) 0.84712(15) 0.0158(7) Uani 1 1 d . . .
H22A H -0.1041 0.6846 0.8059 0.019 Uiso 1 1 calc R . .
H22B H -0.0757 0.5603 0.8446 0.019 Uiso 1 1 calc R . .
C23 C -0.14434(17) 0.6600(3) 0.87368(15) 0.0214(8) Uani 1 1 d . . .
H23A H -0.1595 0.7482 0.8719 0.026 Uiso 1 1 calc R . .
H23B H -0.1848 0.6091 0.8494 0.026 Uiso 1 1 calc R . .
C24 C -0.11831(18) 0.6148(4) 0.93913(16) 0.0243(8) Uani 1 1 d . . .
H24A H -0.1551 0.6275 0.9559 0.029 Uiso 1 1 calc R . .
H24B H -0.1082 0.5241 0.9403 0.029 Uiso 1 1 calc R . .
C25 C -0.05332(17) 0.6845(3) 0.97779(15) 0.0204(8) Uani 1 1 d . . .
H25A H -0.0369 0.6505 1.0192 0.024 Uiso 1 1 calc R . .
H25B H -0.0644 0.7741 0.9798 0.024 Uiso 1 1 calc R . .
C26 C 0.00400(16) 0.6716(3) 0.95194(14) 0.0155(7) Uani 1 1 d . . .
H26A H 0.0177 0.5827 0.9527 0.019 Uiso 1 1 calc R . .
H26B H 0.0452 0.7200 0.9768 0.019 Uiso 1 1 calc R . .
C31 C 0.11210(15) 0.8350(3) 0.90153(14) 0.0110(6) Uani 1 1 d . . .
H31A H 0.1345 0.7942 0.9417 0.013 Uiso 1 1 calc R . .
C32 C 0.07989(16) 0.9589(3) 0.91147(14) 0.0145(7) Uani 1 1 d . . .
H32A H 0.0503 0.9935 0.8720 0.017 Uiso 1 1 calc R . .
H32B H 0.0501 0.9424 0.9350 0.017 Uiso 1 1 calc R . .
C33 C 0.13481(17) 1.0557(3) 0.94465(15) 0.0175(7) Uani 1 1 d . . .
H33A H 0.1119 1.1363 0.9461 0.021 Uiso 1 1 calc R . .
H33B H 0.1595 1.0274 0.9865 0.021 Uiso 1 1 calc R . .
C34 C 0.18696(18) 1.0749(3) 0.91375(16) 0.0194(7) Uani 1 1 d . . .
H34A H 0.1629 1.1092 0.8729 0.023 Uiso 1 1 calc R . .
H34B H 0.2225 1.1361 0.9369 0.023 Uiso 1 1 calc R . .
C35 C 0.22176(16) 0.9521(3) 0.90936(15) 0.0183(7) Uani 1 1 d . . .
H35A H 0.2480 0.9202 0.9503 0.022 Uiso 1 1 calc R . .
H35B H 0.2550 0.9663 0.8889 0.022 Uiso 1 1 calc R . .
C36 C 0.16815(16) 0.8547(3) 0.87442(14) 0.0145(7) Uani 1 1 d . . .
H36A H 0.1918 0.7742 0.8746 0.017 Uiso 1 1 calc R . .
H36B H 0.1460 0.8823 0.8321 0.017 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.3226(8) 2_556 ?
Pt1 P1 2.3227(8) . ?
Pt1 Pb1 2.5637(3) . ?
Pb1 Cl1 3.0010(9) . ?
Pb1 Cl1 3.0010(9) 2_556 ?
Al4 Cl3 2.1105(16) . ?
Al4 Cl2 2.1281(15) . ?
Al4 Cl4 2.1489(14) . ?
Al4 Cl1 2.1777(13) . ?
P1 C21 1.839(3) . ?
P1 C31 1.852(3) . ?
P1 C11 1.865(3) . ?
C11 C12 1.549(4) . ?
C11 C16 1.545(4) . ?
C11 H11A 1.0000 . ?
C12 C13 1.536(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.526(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.526(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.534(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C22 1.538(4) . ?
C21 C26 1.543(4) . ?
C21 H21A 1.0000 . ?
C22 C23 1.536(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.533(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.522(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.531(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C36 1.535(4) . ?
C31 C32 1.540(4) . ?
C31 H31A 1.0000 . ?
C32 C33 1.528(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.527(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.520(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.529(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 P1 162.23(4) 2_556 . ?
P1 Pt1 Pb1 98.88(2) 2_556 . ?
P1 Pt1 Pb1 98.88(2) . . ?
Pt1 Pb1 Cl1 88.952(18) . . ?
Pt1 Pb1 Cl1 88.953(18) . 2_556 ?
Cl1 Pb1 Cl1 177.90(4) . 2_556 ?
Cl3 Al4 Cl2 113.03(6) . . ?
Cl3 Al4 Cl4 112.27(6) . . ?
Cl2 Al4 Cl4 110.17(7) . . ?
Cl3 Al4 Cl1 108.97(7) . . ?
Cl2 Al4 Cl1 106.59(6) . . ?
Cl4 Al4 Cl1 105.37(5) . . ?
C21 P1 C31 105.46(14) . . ?
C21 P1 C11 108.20(14) . . ?
C31 P1 C11 107.22(14) . . ?
C21 P1 Pt1 112.84(10) . . ?
C31 P1 Pt1 119.04(10) . . ?
C11 P1 Pt1 103.59(10) . . ?
Al4 Cl1 Pb1 104.01(4) . . ?
C12 C11 C16 111.2(3) . . ?
C12 C11 P1 115.3(2) . . ?
C16 C11 P1 109.9(2) . . ?
C12 C11 H11A 106.7 . . ?
C16 C11 H11A 106.7 . . ?
P1 C11 H11A 106.7 . . ?
C13 C12 C11 111.0(3) . . ?
C13 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 110.7(3) . . ?
C14 C13 H13A 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
C15 C14 C13 110.2(3) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 110.8(3) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C11 112.3(3) . . ?
C15 C16 H16A 109.1 . . ?
C11 C16 H16A 109.1 . . ?
C15 C16 H16B 109.1 . . ?
C11 C16 H16B 109.1 . . ?
H16A C16 H16B 107.9 . . ?
C22 C21 C26 111.0(2) . . ?
C22 C21 P1 112.8(2) . . ?
C26 C21 P1 114.1(2) . . ?
C22 C21 H21A 106.1 . . ?
C26 C21 H21A 106.1 . . ?
P1 C21 H21A 106.1 . . ?
C23 C22 C21 110.4(3) . . ?
C23 C22 H22A 109.6 . . ?
C21 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C24 C23 C22 111.0(3) . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C22 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C25 C24 C23 111.7(3) . . ?
C25 C24 H24A 109.3 . . ?
C23 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C24 C25 C26 110.9(3) . . ?
C24 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.0 . . ?
C25 C26 C21 109.8(3) . . ?
C25 C26 H26A 109.7 . . ?
C21 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
C21 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
C36 C31 C32 112.6(3) . . ?
C36 C31 P1 109.5(2) . . ?
C32 C31 P1 111.4(2) . . ?
C36 C31 H31A 107.7 . . ?
C32 C31 H31A 107.7 . . ?
P1 C31 H31A 107.7 . . ?
C33 C32 C31 112.3(3) . . ?
C33 C32 H32A 109.2 . . ?
C31 C32 H32A 109.2 . . ?
C33 C32 H32B 109.2 . . ?
C31 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
C34 C33 C32 111.4(3) . . ?
C34 C33 H33A 109.3 . . ?
C32 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?
C35 C34 C33 110.7(3) . . ?
C35 C34 H34A 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 108.1 . . ?
C34 C35 C36 110.9(3) . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C31 112.0(2) . . ?
C35 C36 H36A 109.2 . . ?
C31 C36 H36A 109.2 . . ?
C35 C36 H36B 109.2 . . ?
C31 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?

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
P1 Pt1 Pb1 Cl1 102.35(3) 2_556 . . . ?
P1 Pt1 Pb1 Cl1 -77.65(3) . . . . ?
P1 Pt1 Pb1 Cl1 -77.65(3) 2_556 . . 2_556 ?
P1 Pt1 Pb1 Cl1 102.35(3) . . . 2_556 ?
P1 Pt1 P1 C21 -91.48(11) 2_556 . . . ?
Pb1 Pt1 P1 C21 88.53(11) . . . . ?
P1 Pt1 P1 C31 144.14(11) 2_556 . . . ?
Pb1 Pt1 P1 C31 -35.86(11) . . . . ?
P1 Pt1 P1 C11 25.29(10) 2_556 . . . ?
Pb1 Pt1 P1 C11 -154.71(10) . . . . ?
Cl3 Al4 Cl1 Pb1 129.11(5) . . . . ?
Cl2 Al4 Cl1 Pb1 -108.61(6) . . . . ?
Cl4 Al4 Cl1 Pb1 8.45(6) . . . . ?
Cl1 Pb1 Cl1 Al4 143.81(5) 2_556 . . . ?
C21 P1 C11 C12 -86.1(2) . . . . ?
C31 P1 C11 C12 27.2(3) . . . . ?
Pt1 P1 C11 C12 153.9(2) . . . . ?
C21 P1 C11 C16 147.3(2) . . . . ?
C31 P1 C11 C16 -99.4(2) . . . . ?
Pt1 P1 C11 C16 27.3(2) . . . . ?
C16 C11 C12 C13 -52.8(3) . . . . ?
P1 C11 C12 C13 -178.7(2) . . . . ?
C11 C12 C13 C14 57.2(4) . . . . ?
C12 C13 C14 C15 -60.0(4) . . . . ?
C13 C14 C15 C16 58.4(4) . . . . ?
C14 C15 C16 C11 -54.9(4) . . . . ?
C12 C11 C16 C15 52.0(4) . . . . ?
P1 C11 C16 C15 -179.2(2) . . . . ?
C31 P1 C21 C22 171.7(2) . . . . ?
C11 P1 C21 C22 -73.9(2) . . . . ?
Pt1 P1 C21 C22 40.1(2) . . . . ?
C31 P1 C21 C26 -60.5(3) . . . . ?
C11 P1 C21 C26 54.0(3) . . . . ?
Pt1 P1 C21 C26 167.97(19) . . . . ?
C26 C21 C22 C23 56.9(3) . . . . ?
P1 C21 C22 C23 -173.6(2) . . . . ?
C21 C22 C23 C24 -55.2(4) . . . . ?
C22 C23 C24 C25 55.5(4) . . . . ?
C23 C24 C25 C26 -56.7(4) . . . . ?
C24 C25 C26 C21 57.3(4) . . . . ?
C22 C21 C26 C25 -57.8(3) . . . . ?
P1 C21 C26 C25 173.4(2) . . . . ?
C21 P1 C31 C36 -175.6(2) . . . . ?
C11 P1 C31 C36 69.2(2) . . . . ?
Pt1 P1 C31 C36 -47.7(2) . . . . ?
C21 P1 C31 C32 -50.5(2) . . . . ?
C11 P1 C31 C32 -165.6(2) . . . . ?
Pt1 P1 C31 C32 77.4(2) . . . . ?
C36 C31 C32 C33 -49.6(3) . . . . ?
P1 C31 C32 C33 -173.0(2) . . . . ?
C31 C32 C33 C34 53.0(4) . . . . ?
C32 C33 C34 C35 -57.6(4) . . . . ?
C33 C34 C35 C36 58.6(4) . . . . ?
C34 C35 C36 C31 -55.2(4) . . . . ?
C32 C31 C36 C35 50.6(4) . . . . ?
P1 C31 C36 C35 175.1(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.359
_refine_diff_density_min         -1.004
_refine_diff_density_rms         0.106

_database_code_depnum_ccdc_archive 'CCDC 1002028'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C46.50 H78 Br2 P2 Pt Sn'

_chemical_formula_sum            'C46.50 H78 Br2 P2 Pt Sn'
_chemical_formula_weight         1172.63

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.682(3)
_cell_length_b                   10.920(3)
_cell_length_c                   22.552(8)
_cell_angle_alpha                96.679(13)
_cell_angle_beta                 90.154(15)
_cell_angle_gamma                96.092(12)
_cell_volume                     2354.7(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1170
_exptl_absorpt_coefficient_mu    5.293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4356
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
  The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART-APEX'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            34901
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.46
_diffrn_reflns_theta_max         26.84
_reflns_number_total             9965
_reflns_number_gt                9104
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Smart NT ver. 5.63 (Bruker AXS)'
_computing_cell_refinement       'Saint+ NT ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ NT ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
  Refinement of F² against ALL reflections.  The weighted R-factor wR and
  goodness of fit S are based on F², conventional R-factors R are based
  on F, with F set to zero for negative F². The threshold expression of
  F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
  not relevant to the choice of reflections for refinement.  R-factors based
  on F² are statistically about twice as large as those based on F, and R-
  factors based on ALL data will be even larger.
  The 99 reported least-squares restraints as shown by
  _refine_ls_number_restraints key are attributed to DELU keyword in ShelXL
  input ('rigid bond' restraint for all bonds in the connectivity list;
  standard values of 0.01 for both parameters s1 and s2 were used).
  The displacement parameters of atoms Sn1/Sn1a, Br1/Br1a and Br2/Br2a
  as well as the C atoms of the toluene residue were constrained to the same
  value.
  The displacement parameters of atoms Sn1/Sn1a, Br1/Br1a and Br2/Br2a
  as well as the C atoms of the toluene residue were restrained to the
  same value with similarity restraint SIMU.
  The Uii displacement parameters of atoms Sn1/Sn1a, Br1/Br1a and Br2/Br2a
  as well as the C atoms of the toluene residue were restrained with
  ISOR keyword to approximate isotropic behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0240P)²+13.1771P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9965
_refine_ls_number_parameters     517
_refine_ls_number_restraints     99
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.0763
_refine_ls_wR_factor_gt          0.0743
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.011
_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
Pt1 Pt 0.889880(16) 0.270425(14) 0.261482(7) 0.01168(5) Uani 1 1 d . . .
Sn1 Sn 1.10350(5) 0.15063(4) 0.233212(19) 0.01977(9) Uani 0.9164(10) 1 d P A 1
Br1 Br 1.19385(5) 0.04598(4) 0.32434(2) 0.01736(11) Uani 0.9164(10) 1 d P A 1
Br2 Br 0.98780(11) -0.05551(8) 0.17331(5) 0.02887(19) Uani 0.9164(10) 1 d P A 1
Sn1A Sn 1.0640(5) 0.1149(5) 0.2436(2) 0.01977(9) Uani 0.0836(10) 1 d P A 2
Br1A Br 1.2963(5) 0.1784(5) 0.1925(2) 0.01736(11) Uani 0.0836(10) 1 d P A 2
Br2A Br 1.0048(17) -0.0815(13) 0.1740(7) 0.02887(19) Uani 0.0836(10) 1 d P A 2
P1 P 0.92908(11) 0.39761(10) 0.18745(5) 0.0119(2) Uani 1 1 d . A .
P2 P 0.80077(11) 0.19464(10) 0.34520(5) 0.0130(2) Uani 1 1 d . A .
C11 C 1.0167(5) 0.3417(4) 0.1188(2) 0.0159(9) Uani 1 1 d . . .
H11 H 1.1005 0.3065 0.1330 0.019 Uiso 1 1 calc R A .
C12 C 1.0737(5) 0.4371(4) 0.0775(2) 0.0188(9) Uani 1 1 d . A .
H12A H 0.9956 0.4706 0.0586 0.023 Uiso 1 1 calc R . .
H12B H 1.1302 0.5070 0.1011 0.023 Uiso 1 1 calc R . .
C13 C 0.9308(5) 0.2314(4) 0.0818(2) 0.0231(10) Uani 1 1 d . A .
H13A H 0.8985 0.1682 0.1083 0.028 Uiso 1 1 calc R . .
H13B H 0.8480 0.2606 0.0645 0.028 Uiso 1 1 calc R . .
C14 C 1.0166(6) 0.1729(5) 0.0318(2) 0.0294(12) Uani 1 1 d . . .
H14A H 0.9569 0.1068 0.0072 0.035 Uiso 1 1 calc R A .
H14B H 1.0924 0.1340 0.0494 0.035 Uiso 1 1 calc R . .
C15 C 1.1631(5) 0.3755(5) 0.0291(2) 0.0257(11) Uani 1 1 d . . .
H15A H 1.1998 0.4375 0.0027 0.031 Uiso 1 1 calc R A .
H15B H 1.2431 0.3450 0.0480 0.031 Uiso 1 1 calc R . .
C16 C 1.0790(6) 0.2679(5) -0.0080(2) 0.0277(11) Uani 1 1 d . A .
H16A H 1.1396 0.2277 -0.0379 0.033 Uiso 1 1 calc R . .
H16B H 1.0036 0.2994 -0.0297 0.033 Uiso 1 1 calc R . .
C21 C 0.7597(5) 0.4518(4) 0.1710(2) 0.0203(10) Uani 1 1 d . . .
H21 H 0.7307 0.4946 0.2099 0.024 Uiso 1 1 calc R A .
C22 C 0.7622(5) 0.5492(5) 0.1278(2) 0.0262(11) Uani 1 1 d . A .
H22A H 0.7896 0.5127 0.0879 0.031 Uiso 1 1 calc R . .
H22B H 0.8324 0.6194 0.1416 0.031 Uiso 1 1 calc R . .
C23 C 0.6445(5) 0.3463(5) 0.1545(3) 0.0273(11) Uani 1 1 d . A .
H23A H 0.6425 0.2865 0.1843 0.033 Uiso 1 1 calc R . .
H23B H 0.6637 0.3018 0.1150 0.033 Uiso 1 1 calc R . .
C24 C 0.6208(6) 0.5969(5) 0.1230(3) 0.0323(13) Uani 1 1 d . . .
H24A H 0.6008 0.6455 0.1613 0.039 Uiso 1 1 calc R A .
H24B H 0.6238 0.6532 0.0915 0.039 Uiso 1 1 calc R . .
C25 C 0.5032(5) 0.3969(5) 0.1522(3) 0.0332(13) Uani 1 1 d . . .
H25A H 0.4304 0.3279 0.1398 0.040 Uiso 1 1 calc R A .
H25B H 0.4805 0.4351 0.1925 0.040 Uiso 1 1 calc R . .
C26 C 0.5047(6) 0.4932(6) 0.1084(3) 0.0380(14) Uani 1 1 d . A .
H26A H 0.5166 0.4526 0.0674 0.046 Uiso 1 1 calc R . .
H26B H 0.4145 0.5284 0.1097 0.046 Uiso 1 1 calc R . .
C31 C 0.9785(5) 0.5960(4) 0.2763(2) 0.0178(9) Uani 1 1 d . A .
H31A H 0.9756 0.5352 0.3057 0.021 Uiso 1 1 calc R . .
H31B H 0.8823 0.6146 0.2693 0.021 Uiso 1 1 calc R . .
C32 C 1.0376(4) 0.5404(4) 0.2178(2) 0.0139(8) Uani 1 1 d . . .
H32 H 1.0374 0.6020 0.1883 0.017 Uiso 1 1 calc R A .
C33 C 1.0676(5) 0.7151(4) 0.3014(2) 0.0215(10) Uani 1 1 d . . .
H33A H 1.0635 0.7784 0.2735 0.026 Uiso 1 1 calc R A .
H33B H 1.0297 0.7479 0.3400 0.026 Uiso 1 1 calc R . .
C34 C 1.2772(5) 0.6336(5) 0.2526(2) 0.0255(11) Uani 1 1 d . . .
H34A H 1.2817 0.6930 0.2225 0.031 Uiso 1 1 calc R A .
H34B H 1.3729 0.6145 0.2603 0.031 Uiso 1 1 calc R . .
C35 C 1.1880(4) 0.5146(4) 0.2281(2) 0.0183(9) Uani 1 1 d . A .
H35A H 1.1898 0.4525 0.2567 0.022 Uiso 1 1 calc R . .
H35B H 1.2267 0.4800 0.1899 0.022 Uiso 1 1 calc R . .
C36 C 1.2175(5) 0.6924(5) 0.3104(2) 0.0250(11) Uani 1 1 d . A .
H36A H 1.2231 0.6369 0.3418 0.030 Uiso 1 1 calc R . .
H36B H 1.2735 0.7720 0.3239 0.030 Uiso 1 1 calc R . .
C41 C 0.7983(5) -0.0645(4) 0.3514(2) 0.0188(9) Uani 1 1 d . A .
H41A H 0.8271 -0.0460 0.3940 0.023 Uiso 1 1 calc R . .
H41B H 0.8833 -0.0632 0.3271 0.023 Uiso 1 1 calc R . .
C42 C 0.6570(5) 0.0026(4) 0.2695(2) 0.0187(9) Uani 1 1 d . A .
H42A H 0.5966 0.0652 0.2595 0.022 Uiso 1 1 calc R . .
H42B H 0.7372 0.0052 0.2424 0.022 Uiso 1 1 calc R . .
C43 C 0.7165(5) -0.1937(4) 0.3410(2) 0.0195(9) Uani 1 1 d . . .
H43A H 0.7768 -0.2567 0.3506 0.023 Uiso 1 1 calc R . .
H43B H 0.6361 -0.1970 0.3680 0.023 Uiso 1 1 calc R . .
C44 C 0.5756(5) -0.1259(4) 0.2598(2) 0.0224(10) Uani 1 1 d . . .
H44A H 0.5460 -0.1452 0.2174 0.027 Uiso 1 1 calc R . .
H44B H 0.4913 -0.1269 0.2846 0.027 Uiso 1 1 calc R . .
C45 C 0.7095(5) 0.0349(4) 0.3346(2) 0.0156(9) Uani 1 1 d . . .
H45 H 0.6265 0.0335 0.3609 0.019 Uiso 1 1 calc R A .
C46 C 0.6651(5) -0.2239(4) 0.2767(2) 0.0208(10) Uani 1 1 d . . .
H46A H 0.6099 -0.3062 0.2716 0.025 Uiso 1 1 calc R . .
H46B H 0.7455 -0.2274 0.2498 0.025 Uiso 1 1 calc R . .
C51 C 1.0328(5) 0.3130(4) 0.4139(2) 0.0186(9) Uani 1 1 d . A .
H51A H 1.0852 0.3118 0.3762 0.022 Uiso 1 1 calc R . .
H51B H 0.9878 0.3907 0.4195 0.022 Uiso 1 1 calc R . .
C52 C 0.9213(5) 0.2013(4) 0.40952(19) 0.0155(9) Uani 1 1 d . . .
H52 H 0.9725 0.1264 0.4017 0.019 Uiso 1 1 calc R A .
C53 C 0.8468(5) 0.1888(4) 0.4691(2) 0.0194(9) Uani 1 1 d . A .
H53A H 0.7921 0.2599 0.4788 0.023 Uiso 1 1 calc R . .
H53B H 0.7818 0.1119 0.4651 0.023 Uiso 1 1 calc R . .
C54 C 1.1331(5) 0.3098(5) 0.4662(2) 0.0243(11) Uani 1 1 d . . .
H54A H 1.1876 0.2382 0.4576 0.029 Uiso 1 1 calc R A .
H54B H 1.1989 0.3863 0.4703 0.029 Uiso 1 1 calc R . .
C55 C 0.9516(6) 0.1851(5) 0.5195(2) 0.0281(11) Uani 1 1 d . . .
H55A H 0.9020 0.1810 0.5577 0.034 Uiso 1 1 calc R A .
H55B H 1.0003 0.1097 0.5116 0.034 Uiso 1 1 calc R . .
C56 C 1.0570(6) 0.2996(5) 0.5247(2) 0.0297(12) Uani 1 1 d . A .
H56A H 1.1249 0.2949 0.5570 0.036 Uiso 1 1 calc R . .
H56B H 1.0088 0.3746 0.5352 0.036 Uiso 1 1 calc R . .
C61 C 0.7133(5) 0.4250(4) 0.3935(2) 0.0230(10) Uani 1 1 d . A .
H61A H 0.7865 0.4280 0.4245 0.028 Uiso 1 1 calc R . .
H61B H 0.7551 0.4640 0.3593 0.028 Uiso 1 1 calc R . .
C62 C 0.6595(5) 0.2892(4) 0.3728(2) 0.0172(9) Uani 1 1 d . . .
H62 H 0.6197 0.2530 0.4086 0.021 Uiso 1 1 calc R A .
C63 C 0.5410(5) 0.2825(5) 0.3276(2) 0.0249(11) Uani 1 1 d . A .
H63A H 0.5029 0.1949 0.3170 0.030 Uiso 1 1 calc R . .
H63B H 0.5770 0.3149 0.2908 0.030 Uiso 1 1 calc R . .
C64 C 0.5963(5) 0.4976(5) 0.4187(2) 0.0277(11) Uani 1 1 d . . .
H64A H 0.5602 0.4630 0.4550 0.033 Uiso 1 1 calc R A .
H64B H 0.6333 0.5852 0.4303 0.033 Uiso 1 1 calc R . .
C65 C 0.4249(5) 0.3576(5) 0.3524(3) 0.0314(13) Uani 1 1 d . . .
H65A H 0.3529 0.3559 0.3210 0.038 Uiso 1 1 calc R A .
H65B H 0.3811 0.3187 0.3862 0.038 Uiso 1 1 calc R . .
C66 C 0.4791(6) 0.4920(5) 0.3736(3) 0.0301(12) Uani 1 1 d . A .
H66A H 0.5126 0.5343 0.3390 0.036 Uiso 1 1 calc R . .
H66B H 0.4026 0.5359 0.3920 0.036 Uiso 1 1 calc R . .
C100 C 0.3218(6) 0.7056(6) 0.0155(3) 0.0424(16) Uani 1 1 d . . .
H10A H 0.2427 0.6790 0.0397 0.064 Uiso 1 1 calc R . .
H10B H 0.3806 0.6380 0.0077 0.064 Uiso 1 1 calc R . .
H10C H 0.2878 0.7275 -0.0224 0.064 Uiso 1 1 calc R . .
C101 C 0.4199(13) 0.9694(10) 0.1235(4) 0.086(3) Uani 1 1 d . . .
H101 H 0.3817 1.0166 0.1563 0.103 Uiso 1 1 calc R . .
C102 C 0.5519(12) 0.9990(8) 0.1069(4) 0.071(2) Uani 1 1 d . . .
H102 H 0.6069 1.0654 0.1296 0.086 Uiso 1 1 calc R . .
C103 C 0.5294(9) 0.8378(8) 0.0259(4) 0.063(2) Uani 1 1 d . . .
H103 H 0.5659 0.7943 -0.0085 0.075 Uiso 1 1 calc R . .
C104 C 0.6090(9) 0.9377(7) 0.0589(4) 0.061(2) Uani 1 1 d . . .
H104 H 0.7016 0.9621 0.0478 0.074 Uiso 1 1 calc R . .
C105 C 0.3956(8) 0.8041(8) 0.0449(3) 0.058(2) Uani 1 1 d . . .
C106 C 0.3413(10) 0.8700(9) 0.0924(4) 0.071(2) Uani 1 1 d . . .
H106 H 0.2488 0.8474 0.1041 0.085 Uiso 1 1 calc R . .
C200 C 0.4767(10) 0.2305(8) 0.5196(4) 0.0172(16) Uani 0.50 1 d PU B -1
H20A H 0.4801 0.2661 0.4817 0.026 Uiso 0.50 1 calc PR B -1
H20B H 0.5541 0.2703 0.5455 0.026 Uiso 0.50 1 calc PR B -1
H20C H 0.3886 0.2444 0.5392 0.026 Uiso 0.50 1 calc PR B -1
C201 C 0.4205(15) 0.0390(12) 0.4581(6) 0.0222(18) Uani 0.50 1 d PU B -1
H201 H 0.3647 0.0745 0.4314 0.027 Uiso 0.50 1 calc PR B -1
C202 C 0.4868(16) 0.1072(10) 0.5092(7) 0.0216(17) Uani 0.50 1 d PU B -1
C203 C 0.5688(14) 0.0510(11) 0.5501(6) 0.0218(18) Uani 0.50 1 d PU B -1
H203 H 0.6151 0.0962 0.5843 0.026 Uiso 0.50 1 calc PR B -1
C204 C 0.5736(15) -0.0738(11) 0.5348(6) 0.0226(18) Uani 0.50 1 d PU B -1
H204 H 0.6221 -0.1161 0.5614 0.027 Uiso 0.50 1 calc PR B -1
C205 C 0.5175(17) -0.1404(12) 0.4869(7) 0.0277(19) Uani 0.50 1 d PU B -1
H205 H 0.5290 -0.2260 0.4787 0.033 Uiso 0.50 1 calc PR B -1
C206 C 0.4448(14) -0.0852(11) 0.4505(7) 0.0241(18) Uani 0.50 1 d PU B -1
H206 H 0.4053 -0.1347 0.4159 0.029 Uiso 0.50 1 calc PR B -1


_geom_special_details            
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P2 2.2835(13) . ?
Pt1 P1 2.3004(12) . ?
Pt1 Sn1A 2.518(5) . ?
Pt1 Sn1 2.6045(7) . ?
Sn1 Br2 2.6261(13) . ?
Sn1 Br1 2.6540(9) . ?
Sn1A Br2A 2.517(16) . ?
Sn1A Br1A 2.595(8) . ?
P1 C11 1.840(5) . ?
P1 C32 1.845(4) . ?
P1 C21 1.852(4) . ?
P2 C52 1.849(4) . ?
P2 C45 1.859(4) . ?
P2 C62 1.865(4) . ?
C11 C12 1.539(6) . ?
C11 C13 1.546(6) . ?
C11 H11 1.0000 . ?
C12 C15 1.534(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.522(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C16 1.529(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.519(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C22 1.522(7) . ?
C21 C23 1.528(7) . ?
C21 H21 1.0000 . ?
C22 C24 1.524(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C25 1.533(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C26 1.515(8) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.522(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C32 1.526(6) . ?
C31 C33 1.531(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C35 1.535(6) . ?
C32 H32 1.0000 . ?
C33 C36 1.515(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.527(6) . ?
C34 C36 1.527(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C45 1.534(6) . ?
C41 C43 1.536(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C44 1.526(6) . ?
C42 C45 1.542(6) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C46 1.520(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C46 1.526(6) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45 1.0000 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C54 1.531(6) . ?
C51 C52 1.535(6) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.539(6) . ?
C52 H52 1.0000 . ?
C53 C55 1.529(7) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C56 1.524(8) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.521(7) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C64 1.524(7) . ?
C61 C62 1.538(6) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.523(6) . ?
C62 H62 1.0000 . ?
C63 C65 1.529(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C66 1.513(7) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.527(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C100 C105 1.333(10) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.350(14) . ?
C101 C106 1.376(14) . ?
C101 H101 0.9500 . ?
C102 C104 1.356(12) . ?
C102 H102 0.9500 . ?
C103 C105 1.391(12) . ?
C103 C104 1.403(12) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 C106 1.358(11) . ?
C106 H106 0.9500 . ?
C200 C202 1.354(13) . ?
C200 H20A 0.9800 . ?
C200 H20B 0.9800 . ?
C200 H20C 0.9800 . ?
C201 C206 1.392(15) . ?
C201 C202 1.411(17) . ?
C201 H201 0.9500 . ?
C202 C203 1.445(17) . ?
C203 C204 1.372(15) . ?
C203 H203 0.9500 . ?
C204 C205 1.312(19) . ?
C204 H204 0.9500 . ?
C205 C206 1.316(19) . ?
C205 H205 0.9500 . ?
C206 H206 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pt1 P1 160.13(4) . . ?
P2 Pt1 Sn1A 94.92(13) . . ?
P1 Pt1 Sn1A 104.83(13) . . ?
P2 Pt1 Sn1 105.91(3) . . ?
P1 Pt1 Sn1 93.45(3) . . ?
Sn1A Pt1 Sn1 13.01(13) . . ?
Pt1 Sn1 Br2 102.33(3) . . ?
Pt1 Sn1 Br1 111.96(3) . . ?
Br2 Sn1 Br1 96.12(3) . . ?
Br2A Sn1A Pt1 120.2(4) . . ?
Br2A Sn1A Br1A 95.0(4) . . ?
Pt1 Sn1A Br1A 119.0(2) . . ?
C11 P1 C32 104.7(2) . . ?
C11 P1 C21 111.8(2) . . ?
C32 P1 C21 104.0(2) . . ?
C11 P1 Pt1 119.66(14) . . ?
C32 P1 Pt1 109.25(15) . . ?
C21 P1 Pt1 106.41(16) . . ?
C52 P2 C45 106.6(2) . . ?
C52 P2 C62 105.3(2) . . ?
C45 P2 C62 102.3(2) . . ?
C52 P2 Pt1 116.77(15) . . ?
C45 P2 Pt1 116.32(15) . . ?
C62 P2 Pt1 108.02(15) . . ?
C12 C11 C13 109.7(4) . . ?
C12 C11 P1 118.3(3) . . ?
C13 C11 P1 112.7(3) . . ?
C12 C11 H11 104.9 . . ?
C13 C11 H11 104.9 . . ?
P1 C11 H11 104.9 . . ?
C15 C12 C11 109.9(4) . . ?
C15 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C15 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C14 C13 C11 111.2(4) . . ?
C14 C13 H13A 109.4 . . ?
C11 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C11 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C16 112.1(4) . . ?
C13 C14 H14A 109.2 . . ?
C16 C14 H14A 109.2 . . ?
C13 C14 H14B 109.2 . . ?
C16 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
C16 C15 C12 110.9(4) . . ?
C16 C15 H15A 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 108.0 . . ?
C15 C16 C14 110.6(4) . . ?
C15 C16 H16A 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C22 C21 C23 111.3(4) . . ?
C22 C21 P1 116.2(3) . . ?
C23 C21 P1 113.5(3) . . ?
C22 C21 H21 104.9 . . ?
C23 C21 H21 104.9 . . ?
P1 C21 H21 104.9 . . ?
C21 C22 C24 111.5(4) . . ?
C21 C22 H22A 109.3 . . ?
C24 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
C24 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
C21 C23 C25 110.5(4) . . ?
C21 C23 H23A 109.5 . . ?
C25 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C25 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C26 C24 C22 112.6(4) . . ?
C26 C24 H24A 109.1 . . ?
C22 C24 H24A 109.1 . . ?
C26 C24 H24B 109.1 . . ?
C22 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
C26 C25 C23 110.8(5) . . ?
C26 C25 H25A 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C24 C26 C25 111.6(4) . . ?
C24 C26 H26A 109.3 . . ?
C25 C26 H26A 109.3 . . ?
C24 C26 H26B 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C32 C31 C33 110.6(4) . . ?
C32 C31 H31A 109.5 . . ?
C33 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C33 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C31 C32 C35 109.7(4) . . ?
C31 C32 P1 110.5(3) . . ?
C35 C32 P1 111.1(3) . . ?
C31 C32 H32 108.5 . . ?
C35 C32 H32 108.5 . . ?
P1 C32 H32 108.5 . . ?
C36 C33 C31 111.5(4) . . ?
C36 C33 H33A 109.3 . . ?
C31 C33 H33A 109.3 . . ?
C36 C33 H33B 109.3 . . ?
C31 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?
C35 C34 C36 111.0(4) . . ?
C35 C34 H34A 109.4 . . ?
C36 C34 H34A 109.4 . . ?
C35 C34 H34B 109.4 . . ?
C36 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
C34 C35 C32 110.7(4) . . ?
C34 C35 H35A 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C33 C36 C34 111.1(4) . . ?
C33 C36 H36A 109.4 . . ?
C34 C36 H36A 109.4 . . ?
C33 C36 H36B 109.4 . . ?
C34 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
C45 C41 C43 110.7(4) . . ?
C45 C41 H41A 109.5 . . ?
C43 C41 H41A 109.5 . . ?
C45 C41 H41B 109.5 . . ?
C43 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
C44 C42 C45 111.4(4) . . ?
C44 C42 H42A 109.3 . . ?
C45 C42 H42A 109.3 . . ?
C44 C42 H42B 109.3 . . ?
C45 C42 H42B 109.3 . . ?
H42A C42 H42B 108.0 . . ?
C46 C43 C41 111.3(4) . . ?
C46 C43 H43A 109.4 . . ?
C41 C43 H43A 109.4 . . ?
C46 C43 H43B 109.4 . . ?
C41 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C42 C44 C46 110.4(4) . . ?
C42 C44 H44A 109.6 . . ?
C46 C44 H44A 109.6 . . ?
C42 C44 H44B 109.6 . . ?
C46 C44 H44B 109.6 . . ?
H44A C44 H44B 108.1 . . ?
C41 C45 C42 109.9(4) . . ?
C41 C45 P2 113.7(3) . . ?
C42 C45 P2 109.9(3) . . ?
C41 C45 H45 107.7 . . ?
C42 C45 H45 107.7 . . ?
P2 C45 H45 107.7 . . ?
C43 C46 C44 110.6(4) . . ?
C43 C46 H46A 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 108.1 . . ?
C54 C51 C52 110.7(4) . . ?
C54 C51 H51A 109.5 . . ?
C52 C51 H51A 109.5 . . ?
C54 C51 H51B 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 108.1 . . ?
C51 C52 C53 112.3(4) . . ?
C51 C52 P2 113.3(3) . . ?
C53 C52 P2 113.4(3) . . ?
C51 C52 H52 105.7 . . ?
C53 C52 H52 105.7 . . ?
P2 C52 H52 105.7 . . ?
C55 C53 C52 110.8(4) . . ?
C55 C53 H53A 109.5 . . ?
C52 C53 H53A 109.5 . . ?
C55 C53 H53B 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 108.1 . . ?
C56 C54 C51 112.0(4) . . ?
C56 C54 H54A 109.2 . . ?
C51 C54 H54A 109.2 . . ?
C56 C54 H54B 109.2 . . ?
C51 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
C56 C55 C53 110.6(4) . . ?
C56 C55 H55A 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 108.1 . . ?
C55 C56 C54 110.8(4) . . ?
C55 C56 H56A 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 108.1 . . ?
C64 C61 C62 111.1(4) . . ?
C64 C61 H61A 109.4 . . ?
C62 C61 H61A 109.4 . . ?
C64 C61 H61B 109.4 . . ?
C62 C61 H61B 109.4 . . ?
H61A C61 H61B 108.0 . . ?
C63 C62 C61 110.3(4) . . ?
C63 C62 P2 112.8(3) . . ?
C61 C62 P2 112.6(3) . . ?
C63 C62 H62 106.9 . . ?
C61 C62 H62 106.9 . . ?
P2 C62 H62 106.9 . . ?
C62 C63 C65 111.4(4) . . ?
C62 C63 H63A 109.3 . . ?
C65 C63 H63A 109.3 . . ?
C62 C63 H63B 109.3 . . ?
C65 C63 H63B 109.3 . . ?
H63A C63 H63B 108.0 . . ?
C66 C64 C61 111.5(4) . . ?
C66 C64 H64A 109.3 . . ?
C61 C64 H64A 109.3 . . ?
C66 C64 H64B 109.3 . . ?
C61 C64 H64B 109.3 . . ?
H64A C64 H64B 108.0 . . ?
C66 C65 C63 111.9(4) . . ?
C66 C65 H65A 109.2 . . ?
C63 C65 H65A 109.2 . . ?
C66 C65 H65B 109.2 . . ?
C63 C65 H65B 109.2 . . ?
H65A C65 H65B 107.9 . . ?
C64 C66 C65 110.6(4) . . ?
C64 C66 H66A 109.5 . . ?
C65 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 108.1 . . ?
C105 C100 H10A 109.5 . . ?
C105 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C105 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 C106 119.3(9) . . ?
C102 C101 H101 120.4 . . ?
C106 C101 H101 120.4 . . ?
C101 C102 C104 122.5(10) . . ?
C101 C102 H102 118.8 . . ?
C104 C102 H102 118.8 . . ?
C105 C103 C104 118.2(8) . . ?
C105 C103 H103 120.9 . . ?
C104 C103 H103 120.9 . . ?
C102 C104 C103 119.0(9) . . ?
C102 C104 H104 120.5 . . ?
C103 C104 H104 120.5 . . ?
C100 C105 C106 120.6(9) . . ?
C100 C105 C103 118.5(8) . . ?
C106 C105 C103 120.9(9) . . ?
C105 C106 C101 120.1(10) . . ?
C105 C106 H106 120.0 . . ?
C101 C106 H106 120.0 . . ?
C206 C201 C202 113.6(12) . . ?
C206 C201 H201 123.2 . . ?
C202 C201 H201 123.2 . . ?
C200 C202 C201 119.0(12) . . ?
C200 C202 C203 118.6(11) . . ?
C201 C202 C203 122.4(10) . . ?
C204 C203 C202 113.6(12) . . ?
C204 C203 H203 123.2 . . ?
C202 C203 H203 123.2 . . ?
C205 C204 C203 126.2(13) . . ?
C205 C204 H204 116.9 . . ?
C203 C204 H204 116.9 . . ?
C204 C205 C206 118.2(12) . . ?
C204 C205 H205 120.9 . . ?
C206 C205 H205 120.9 . . ?
C205 C206 C201 125.9(13) . . ?
C205 C206 H206 117.0 . . ?
C201 C206 H206 117.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Pt1 Sn1 Br2 82.94(5) . . . . ?
P1 Pt1 Sn1 Br2 -101.61(4) . . . . ?
Sn1A Pt1 Sn1 Br2 49.8(5) . . . . ?
P2 Pt1 Sn1 Br1 -18.93(4) . . . . ?
P1 Pt1 Sn1 Br1 156.52(3) . . . . ?
Sn1A Pt1 Sn1 Br1 -52.1(5) . . . . ?
P2 Pt1 Sn1A Br2A 94.3(5) . . . . ?
P1 Pt1 Sn1A Br2A -87.9(5) . . . . ?
Sn1 Pt1 Sn1A Br2A -117.5(8) . . . . ?
P2 Pt1 Sn1A Br1A -149.7(2) . . . . ?
P1 Pt1 Sn1A Br1A 28.1(3) . . . . ?
Sn1 Pt1 Sn1A Br1A -1.5(4) . . . . ?
P2 Pt1 P1 C11 -164.81(18) . . . . ?
Sn1A Pt1 P1 C11 21.8(2) . . . . ?
Sn1 Pt1 P1 C11 28.16(17) . . . . ?
P2 Pt1 P1 C32 74.68(18) . . . . ?
Sn1A Pt1 P1 C32 -98.75(19) . . . . ?
Sn1 Pt1 P1 C32 -92.36(14) . . . . ?
P2 Pt1 P1 C21 -37.0(2) . . . . ?
Sn1A Pt1 P1 C21 149.6(2) . . . . ?
Sn1 Pt1 P1 C21 155.97(16) . . . . ?
P1 Pt1 P2 C52 -111.23(19) . . . . ?
Sn1A Pt1 P2 C52 62.4(2) . . . . ?
Sn1 Pt1 P2 C52 55.31(16) . . . . ?
P1 Pt1 P2 C45 121.45(18) . . . . ?
Sn1A Pt1 P2 C45 -64.9(2) . . . . ?
Sn1 Pt1 P2 C45 -72.01(16) . . . . ?
P1 Pt1 P2 C62 7.1(2) . . . . ?
Sn1A Pt1 P2 C62 -179.23(19) . . . . ?
Sn1 Pt1 P2 C62 173.68(15) . . . . ?
C32 P1 C11 C12 -42.3(4) . . . . ?
C21 P1 C11 C12 69.6(4) . . . . ?
Pt1 P1 C11 C12 -165.1(3) . . . . ?
C32 P1 C11 C13 -172.2(3) . . . . ?
C21 P1 C11 C13 -60.3(4) . . . . ?
Pt1 P1 C11 C13 65.0(3) . . . . ?
C13 C11 C12 C15 -58.2(5) . . . . ?
P1 C11 C12 C15 170.5(3) . . . . ?
C12 C11 C13 C14 56.1(5) . . . . ?
P1 C11 C13 C14 -169.7(3) . . . . ?
C11 C13 C14 C16 -54.7(6) . . . . ?
C11 C12 C15 C16 59.4(5) . . . . ?
C12 C15 C16 C14 -57.0(6) . . . . ?
C13 C14 C16 C15 54.9(6) . . . . ?
C11 P1 C21 C22 -54.1(4) . . . . ?
C32 P1 C21 C22 58.3(4) . . . . ?
Pt1 P1 C21 C22 173.6(3) . . . . ?
C11 P1 C21 C23 76.8(4) . . . . ?
C32 P1 C21 C23 -170.8(4) . . . . ?
Pt1 P1 C21 C23 -55.5(4) . . . . ?
C23 C21 C22 C24 54.3(6) . . . . ?
P1 C21 C22 C24 -173.7(4) . . . . ?
C22 C21 C23 C25 -56.6(6) . . . . ?
P1 C21 C23 C25 170.1(4) . . . . ?
C21 C22 C24 C26 -52.9(6) . . . . ?
C21 C23 C25 C26 56.9(6) . . . . ?
C22 C24 C26 C25 53.6(7) . . . . ?
C23 C25 C26 C24 -55.4(6) . . . . ?
C33 C31 C32 C35 57.7(5) . . . . ?
C33 C31 C32 P1 -179.5(3) . . . . ?
C11 P1 C32 C31 -178.7(3) . . . . ?
C21 P1 C32 C31 63.9(3) . . . . ?
Pt1 P1 C32 C31 -49.4(3) . . . . ?
C11 P1 C32 C35 -56.7(4) . . . . ?
C21 P1 C32 C35 -174.2(3) . . . . ?
Pt1 P1 C32 C35 72.6(3) . . . . ?
C32 C31 C33 C36 -56.8(5) . . . . ?
C36 C34 C35 C32 57.1(5) . . . . ?
C31 C32 C35 C34 -58.2(5) . . . . ?
P1 C32 C35 C34 179.4(3) . . . . ?
C31 C33 C36 C34 55.2(6) . . . . ?
C35 C34 C36 C33 -55.3(5) . . . . ?
C45 C41 C43 C46 56.8(5) . . . . ?
C45 C42 C44 C46 -57.3(5) . . . . ?
C43 C41 C45 C42 -55.8(5) . . . . ?
C43 C41 C45 P2 -179.5(3) . . . . ?
C44 C42 C45 C41 56.7(5) . . . . ?
C44 C42 C45 P2 -177.4(3) . . . . ?
C52 P2 C45 C41 -32.3(4) . . . . ?
C62 P2 C45 C41 -142.6(3) . . . . ?
Pt1 P2 C45 C41 99.9(3) . . . . ?
C52 P2 C45 C42 -156.0(3) . . . . ?
C62 P2 C45 C42 93.7(3) . . . . ?
Pt1 P2 C45 C42 -23.8(3) . . . . ?
C41 C43 C46 C44 -57.1(5) . . . . ?
C42 C44 C46 C43 57.1(5) . . . . ?
C54 C51 C52 C53 52.6(5) . . . . ?
C54 C51 C52 P2 -177.3(3) . . . . ?
C45 P2 C52 C51 164.0(3) . . . . ?
C62 P2 C52 C51 -87.8(3) . . . . ?
Pt1 P2 C52 C51 32.0(4) . . . . ?
C45 P2 C52 C53 -66.5(3) . . . . ?
C62 P2 C52 C53 41.7(4) . . . . ?
Pt1 P2 C52 C53 161.6(3) . . . . ?
C51 C52 C53 C55 -54.3(5) . . . . ?
P2 C52 C53 C55 175.7(3) . . . . ?
C52 C51 C54 C56 -54.0(5) . . . . ?
C52 C53 C55 C56 56.5(5) . . . . ?
C53 C55 C56 C54 -58.1(6) . . . . ?
C51 C54 C56 C55 57.2(6) . . . . ?
C64 C61 C62 C63 55.9(6) . . . . ?
C64 C61 C62 P2 -177.1(3) . . . . ?
C52 P2 C62 C63 -173.5(3) . . . . ?
C45 P2 C62 C63 -62.3(4) . . . . ?
Pt1 P2 C62 C63 61.0(4) . . . . ?
C52 P2 C62 C61 60.7(4) . . . . ?
C45 P2 C62 C61 172.0(3) . . . . ?
Pt1 P2 C62 C61 -64.7(3) . . . . ?
C61 C62 C63 C65 -54.9(6) . . . . ?
P2 C62 C63 C65 178.2(4) . . . . ?
C62 C61 C64 C66 -57.0(6) . . . . ?
C62 C63 C65 C66 55.1(6) . . . . ?
C61 C64 C66 C65 56.0(6) . . . . ?
C63 C65 C66 C64 -55.0(7) . . . . ?
C106 C101 C102 C104 2.8(14) . . . . ?
C101 C102 C104 C103 -1.5(12) . . . . ?
C105 C103 C104 C102 -1.5(10) . . . . ?
C104 C103 C105 C100 -176.8(6) . . . . ?
C104 C103 C105 C106 3.1(10) . . . . ?
C100 C105 C106 C101 178.1(7) . . . . ?
C103 C105 C106 C101 -1.9(12) . . . . ?
C102 C101 C106 C105 -1.1(13) . . . . ?
C206 C201 C202 C200 176.6(12) . . . . ?
C206 C201 C202 C203 -1.4(19) . . . . ?
C200 C202 C203 C204 -179.1(12) . . . . ?
C201 C202 C203 C204 -1.0(18) . . . . ?
C202 C203 C204 C205 3(2) . . . . ?
C203 C204 C205 C206 -3(2) . . . . ?
C204 C205 C206 C201 0(2) . . . . ?
C202 C201 C206 C205 2(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.598
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.137
_database_code_depnum_ccdc_archive 'CCDC 1023363'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_5



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H132 Br2 P4 Pt2 Sn'

_chemical_formula_sum            'C72 H132 Br2 P4 Pt2 Sn'
_chemical_formula_weight         1790.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.9687(7)
_cell_length_b                   14.2448(7)
_cell_length_c                   21.1628(15)
_cell_angle_alpha                96.439(2)
_cell_angle_beta                 101.900(2)
_cell_angle_gamma                114.878(2)
_cell_volume                     3643.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8111
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      26.65

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1800
_exptl_absorpt_coefficient_mu    5.394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6369
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
  The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            14914
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0595
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         26.37
_reflns_number_total             14914
_reflns_number_gt                11037
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
  Refinement of F² against ALL reflections.  The weighted R-factor wR and
  goodness of fit S are based on F², conventional R-factors R are based
  on F, with F set to zero for negative F². The threshold expression of
  F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
  not relevant to the choice of reflections for refinement.  R-factors based
  on F² are statistically about twice as large as those based on F, and R-
  factors based on ALL data will be even larger.
  The 972 reported least-squares restraints as shown by
  _refine_ls_number_restraints key are attributed to DELU keyword in ShelXL
  input ('rigid bond' restraint for all bonds in the connectivity list;
  standard values of 0.01 for both parameters s1 and s2 were used).
  The displacement parameters of the carbon atoms of the cyclohexyl
  residues were restrained to the same value with similarity restraint SIMU.
  The Uii displacement parameters of the carbon atoms of the cyclohexyl
  residues were restrained with ISOR keyword to approximate isotropic
  behavior.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0274P)²+3.3377P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         14914
_refine_ls_number_parameters     888
_refine_ls_number_restraints     972
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0719
_refine_ls_wR_factor_gt          0.0659
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_restrained_S_all      0.990
_refine_ls_shift/su_max          0.001
_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
Pt1 Pt 0.336747(15) 1.063532(14) 0.264593(10) 0.01803(5) Uani 1 1 d . A .
P1 P 0.32088(11) 1.02018(11) 0.15402(7) 0.0287(3) Uani 1 1 d . . .
Pt2 Pt 0.027355(15) 0.714423(15) 0.252502(11) 0.02343(6) Uani 1 1 d . A .
P2 P 0.42790(10) 1.17926(9) 0.36582(7) 0.0171(3) Uani 1 1 d . . .
Sn3 Sn 0.23043(3) 0.87255(2) 0.28646(2) 0.02396(9) Uani 1 1 d . . .
P3 P -0.07741(11) 0.79142(11) 0.28137(9) 0.0364(4) Uani 1 1 d . . .
Br4 Br 0.29336(4) 0.86606(4) 0.41275(3) 0.02743(13) Uani 1 1 d . A .
P4 P 0.04699(10) 0.56453(10) 0.22986(7) 0.0198(3) Uani 1 1 d . . .
Br5 Br 0.37400(4) 0.80439(4) 0.26306(3) 0.02745(13) Uani 1 1 d . A .
C11 C 0.4130(4) 0.9618(4) 0.1390(3) 0.0213(8) Uani 1 1 d U A .
H11 H 0.3773 0.8879 0.1458 0.026 Uiso 1 1 calc R . .
C12 C 0.4285(4) 0.9496(4) 0.0700(3) 0.0214(8) Uani 1 1 d U . .
H12A H 0.4683 1.0205 0.0611 0.026 Uiso 1 1 calc R A .
H12B H 0.3558 0.9119 0.0366 0.026 Uiso 1 1 calc R . .
C13 C 0.4936(4) 0.8872(4) 0.0644(3) 0.0229(9) Uani 1 1 d U A .
H13A H 0.4522 0.8152 0.0715 0.027 Uiso 1 1 calc R . .
H13B H 0.5027 0.8796 0.0192 0.027 Uiso 1 1 calc R . .
C14 C 0.6056(4) 0.9423(4) 0.1147(3) 0.0246(9) Uani 1 1 d U . .
H14A H 0.6497 1.0119 0.1054 0.029 Uiso 1 1 calc R A .
H14B H 0.6448 0.8988 0.1112 0.029 Uiso 1 1 calc R . .
C15 C 0.5936(4) 0.9587(4) 0.1850(3) 0.0257(9) Uani 1 1 d U A .
H15A H 0.6674 1.0004 0.2169 0.031 Uiso 1 1 calc R . .
H15B H 0.5587 0.8888 0.1963 0.031 Uiso 1 1 calc R . .
C16 C 0.5240(4) 1.0169(4) 0.1914(3) 0.0256(9) Uani 1 1 d U . .
H16A H 0.5121 1.0197 0.2360 0.031 Uiso 1 1 calc R A .
H16B H 0.5643 1.0907 0.1868 0.031 Uiso 1 1 calc R . .
C21_1 C 0.1716(4) 0.9079(4) 0.1119(2) 0.019(2) Uani 0.461(7) 1 d PU A 1
H21_1 H 0.1522 0.8594 0.1430 0.023 Uiso 0.461(7) 1 calc PR A 1
C22_1 C 0.1589(4) 0.8399(4) 0.0456(2) 0.019(2) Uani 0.461(7) 1 d PRU A 1
H22A_1 H 0.1754 0.8845 0.0128 0.023 Uiso 0.461(7) 1 calc PR A 1
H22B_1 H 0.2107 0.8089 0.0523 0.023 Uiso 0.461(7) 1 calc PR A 1
C23_1 C 0.0405(4) 0.7515(4) 0.0205(2) 0.023(2) Uani 0.461(7) 1 d PRU A 1
H23A_1 H 0.0239 0.7083 0.0540 0.028 Uiso 0.461(7) 1 calc PR A 1
H23B_1 H 0.0314 0.7044 -0.0208 0.028 Uiso 0.461(7) 1 calc PR A 1
C24_1 C -0.0404(4) 0.8006(4) 0.0069(2) 0.024(2) Uani 0.461(7) 1 d PRU A 1
H24A_1 H -0.1168 0.7435 -0.0115 0.029 Uiso 0.461(7) 1 calc PR A 1
H24B_1 H -0.0229 0.8454 -0.0257 0.029 Uiso 0.461(7) 1 calc PR A 1
C25_1 C -0.0287(4) 0.8694(4) 0.0737(2) 0.024(2) Uani 0.461(7) 1 d PRU A 1
H25A_1 H -0.0515 0.8231 0.1049 0.029 Uiso 0.461(7) 1 calc PR A 1
H25B_1 H -0.0780 0.9030 0.0655 0.029 Uiso 0.461(7) 1 calc PR A 1
C26_1 C 0.0955(4) 0.9598(4) 0.1063(2) 0.023(2) Uani 0.461(7) 1 d PRU A 1
H26A_1 H 0.1154 1.0124 0.0783 0.027 Uiso 0.461(7) 1 calc PR A 1
H26B_1 H 0.1029 0.9972 0.1507 0.027 Uiso 0.461(7) 1 calc PR A 1
C21A_2 C 0.2024(2) 0.94618(19) 0.08311(12) 0.0197(18) Uani 0.539(7) 1 d PU A 2
H21A_2 H 0.2231 0.9601 0.0413 0.024 Uiso 0.539(7) 1 calc PR A 2
C22A_2 C 0.1563(2) 0.82830(19) 0.08209(12) 0.0229(19) Uani 0.539(7) 1 d PRU A 2
H22A_2 H 0.1358 0.8145 0.1234 0.027 Uiso 0.539(7) 1 calc PR A 2
H22B_2 H 0.2119 0.8038 0.0785 0.027 Uiso 0.539(7) 1 calc PR A 2
C23A_2 C 0.0480(2) 0.76567(19) 0.01813(12) 0.032(2) Uani 0.539(7) 1 d PRU A 2
H23A_2 H 0.0668 0.7864 -0.0225 0.038 Uiso 0.539(7) 1 calc PR A 2
H23B_2 H 0.0213 0.6880 0.0122 0.038 Uiso 0.539(7) 1 calc PR A 2
C24A_2 C -0.0382(2) 0.79411(19) 0.02993(12) 0.037(2) Uani 0.539(7) 1 d PRU A 2
H24A_2 H -0.0531 0.7776 0.0722 0.044 Uiso 0.539(7) 1 calc PR A 2
H24B_2 H -0.1071 0.7517 -0.0062 0.044 Uiso 0.539(7) 1 calc PR A 2
C25A_2 C -0.0010(2) 0.91245(19) 0.03298(12) 0.033(2) Uani 0.539(7) 1 d PRU A 2
H25A_2 H -0.0572 0.9319 0.0431 0.040 Uiso 0.539(7) 1 calc PR A 2
H25B_2 H 0.0083 0.9282 -0.0104 0.040 Uiso 0.539(7) 1 calc PR A 2
C26A_2 C 0.1138(2) 0.98013(19) 0.08969(12) 0.028(2) Uani 0.539(7) 1 d PRU A 2
H26A_2 H 0.1416 1.0560 0.0882 0.034 Uiso 0.539(7) 1 calc PR A 2
H26B_2 H 0.1005 0.9730 0.1335 0.034 Uiso 0.539(7) 1 calc PR A 2
C31_3 C 0.3311(2) 1.12471(19) 0.12651(12) 0.0207(19) Uani 0.491(6) 1 d PRU A 1
H31_3 H 0.2818 1.1500 0.1427 0.025 Uiso 0.491(6) 1 calc PR A 1
C32_3 C 0.3019(2) 1.10809(19) 0.04695(12) 0.0216(19) Uani 0.491(6) 1 d PRU A 1
H32A_3 H 0.2248 1.0536 0.0264 0.026 Uiso 0.491(6) 1 calc PR A 1
H32B_3 H 0.3505 1.0838 0.0300 0.026 Uiso 0.491(6) 1 calc PR A 1
C33_3 C 0.3194(2) 1.22071(19) 0.02852(12) 0.0214(19) Uani 0.491(6) 1 d PRU A 1
H33A_3 H 0.3031 1.2119 -0.0202 0.026 Uiso 0.491(6) 1 calc PR A 1
H33B_3 H 0.2666 1.2414 0.0430 0.026 Uiso 0.491(6) 1 calc PR A 1
C34_3 C 0.4380(2) 1.31097(19) 0.06136(12) 0.0225(19) Uani 0.491(6) 1 d PRU A 1
H34A_3 H 0.4436 1.3784 0.0501 0.027 Uiso 0.491(6) 1 calc PR A 1
H34B_3 H 0.4909 1.2938 0.0443 0.027 Uiso 0.491(6) 1 calc PR A 1
C35_3 C 0.4672(2) 1.32447(19) 0.13920(12) 0.0193(18) Uani 0.491(6) 1 d PRU A 1
H35A_3 H 0.5431 1.3814 0.1601 0.023 Uiso 0.491(6) 1 calc PR A 1
H35B_3 H 0.4163 1.3445 0.1567 0.023 Uiso 0.491(6) 1 calc PR A 1
C36_3 C 0.4567(2) 1.21688(19) 0.15581(12) 0.0189(18) Uani 0.491(6) 1 d PRU A 1
H36A_3 H 0.4805 1.2259 0.2045 0.023 Uiso 0.491(6) 1 calc PR A 1
H36B_3 H 0.5055 1.1958 0.1365 0.023 Uiso 0.491(6) 1 calc PR A 1
C31A_4 C 0.3868(2) 1.15750(19) 0.11831(12) 0.0151(17) Uani 0.509(6) 1 d PRU A 2
H31A_4 H 0.4675 1.1803 0.1284 0.018 Uiso 0.509(6) 1 calc PR A 2
C32A_4 C 0.3483(2) 1.15420(19) 0.04607(12) 0.0151(17) Uani 0.509(6) 1 d PRU A 2
H32A_4 H 0.2701 1.1391 0.0348 0.018 Uiso 0.509(6) 1 calc PR A 2
H32B_4 H 0.3532 1.0953 0.0196 0.018 Uiso 0.509(6) 1 calc PR A 2
C33A_4 C 0.4137(2) 1.25577(19) 0.02704(12) 0.0207(18) Uani 0.509(6) 1 d PRU A 2
H33A_4 H 0.3863 1.2492 -0.0211 0.025 Uiso 0.509(6) 1 calc PR A 2
H33B_4 H 0.4922 1.2721 0.0376 0.025 Uiso 0.509(6) 1 calc PR A 2
C34A_4 C 0.3994(2) 1.34905(19) 0.06895(12) 0.0203(18) Uani 0.509(6) 1 d PRU A 2
H34A_4 H 0.4433 1.4177 0.0586 0.024 Uiso 0.509(6) 1 calc PR A 2
H34B_4 H 0.3212 1.3341 0.0559 0.024 Uiso 0.509(6) 1 calc PR A 2
C35A_4 C 0.4379(2) 1.35739(19) 0.14578(12) 0.0225(18) Uani 0.509(6) 1 d PRU A 2
H35A_4 H 0.5180 1.3808 0.1602 0.027 Uiso 0.509(6) 1 calc PR A 2
H35B_4 H 0.4224 1.4102 0.1704 0.027 Uiso 0.509(6) 1 calc PR A 2
C36A_4 C 0.3747(2) 1.24632(19) 0.16051(12) 0.0201(18) Uani 0.509(6) 1 d PRU A 2
H36A_4 H 0.4029 1.2497 0.2081 0.024 Uiso 0.509(6) 1 calc PR A 2
H36B_4 H 0.2958 1.2281 0.1514 0.024 Uiso 0.509(6) 1 calc PR A 2
C41 C 0.3932(4) 1.1474(4) 0.4431(3) 0.0197(11) Uani 1 1 d . A .
H41 H 0.3897 1.0758 0.4433 0.024 Uiso 1 1 calc R . .
C42 C 0.4759(4) 1.2186(4) 0.5090(3) 0.0221(11) Uani 1 1 d . . .
H42A H 0.5498 1.2260 0.5096 0.027 Uiso 1 1 calc R A .
H42B H 0.4798 1.2901 0.5138 0.027 Uiso 1 1 calc R . .
C43 C 0.4421(4) 1.1715(4) 0.5668(3) 0.0252(12) Uani 1 1 d . A .
H43A H 0.4438 1.1024 0.5638 0.030 Uiso 1 1 calc R . .
H43B H 0.4954 1.2195 0.6090 0.030 Uiso 1 1 calc R . .
C44 C 0.3280(4) 1.1557(4) 0.5668(3) 0.0279(13) Uani 1 1 d . . .
H44A H 0.3282 1.2256 0.5746 0.033 Uiso 1 1 calc R A .
H44B H 0.3068 1.1213 0.6032 0.033 Uiso 1 1 calc R . .
C45 C 0.2442(4) 1.0871(4) 0.5012(3) 0.0269(13) Uani 1 1 d . A .
H45A H 0.1717 1.0830 0.5012 0.032 Uiso 1 1 calc R . .
H45B H 0.2369 1.0143 0.4962 0.032 Uiso 1 1 calc R . .
C46 C 0.2783(4) 1.1322(4) 0.4425(3) 0.0240(12) Uani 1 1 d . . .
H46A H 0.2249 1.0831 0.4006 0.029 Uiso 1 1 calc R A .
H46B H 0.2767 1.2012 0.4445 0.029 Uiso 1 1 calc R . .
C51_5 C 0.4322(2) 1.30890(18) 0.35391(14) 0.0121(13) Uani 0.519(6) 1 d PGU A 1
H51_5 H 0.4574 1.3145 0.3129 0.014 Uiso 0.519(6) 1 calc PR A 1
C52_5 C 0.5285(2) 1.40639(18) 0.40240(14) 0.0139(13) Uani 0.519(6) 1 d PRU A 1
H52A_5 H 0.5982 1.4034 0.4029 0.017 Uiso 0.519(6) 1 calc PR A 1
H52B_5 H 0.5196 1.4075 0.4477 0.017 Uiso 0.519(6) 1 calc PR A 1
C53_5 C 0.5326(2) 1.50803(18) 0.38116(14) 0.0179(13) Uani 0.519(6) 1 d PRU A 1
H53A_5 H 0.5600 1.5150 0.3415 0.022 Uiso 0.519(6) 1 calc PR A 1
H53B_5 H 0.5858 1.5704 0.4171 0.022 Uiso 0.519(6) 1 calc PR A 1
C54_5 C 0.4195(2) 1.50922(18) 0.36521(14) 0.0190(13) Uani 0.519(6) 1 d PRU A 1
H54A_5 H 0.3924 1.5060 0.4050 0.023 Uiso 0.519(6) 1 calc PR A 1
H54B_5 H 0.4266 1.5753 0.3511 0.023 Uiso 0.519(6) 1 calc PR A 1
C55_5 C 0.3404(2) 1.41347(18) 0.31003(14) 0.0175(13) Uani 0.519(6) 1 d PRU A 1
H55A_5 H 0.3693 1.4184 0.2709 0.021 Uiso 0.519(6) 1 calc PR A 1
H55B_5 H 0.2691 1.4154 0.2973 0.021 Uiso 0.519(6) 1 calc PR A 1
C56_5 C 0.3199(2) 1.30378(18) 0.32816(14) 0.0160(13) Uani 0.519(6) 1 d PRU A 1
H56A_5 H 0.2803 1.2918 0.3625 0.019 Uiso 0.519(6) 1 calc PR A 1
H56B_5 H 0.2754 1.2451 0.2885 0.019 Uiso 0.519(6) 1 calc PR A 1
C51A_6 C 0.4199(2) 1.31239(18) 0.37389(14) 0.0204(15) Uani 0.481(6) 1 d PRU A 2
H51A_6 H 0.3517 1.3017 0.3868 0.024 Uiso 0.481(6) 1 calc PR A 2
C52A_6 C 0.5132(2) 1.40599(18) 0.42077(14) 0.0170(14) Uani 0.481(6) 1 d PRU A 2
H52A_6 H 0.5824 1.4116 0.4125 0.020 Uiso 0.481(6) 1 calc PR A 2
H52B_6 H 0.5152 1.3960 0.4665 0.020 Uiso 0.481(6) 1 calc PR A 2
C53A_6 C 0.5070(2) 1.50772(18) 0.41529(14) 0.0191(14) Uani 0.481(6) 1 d PRU A 2
H53A_6 H 0.5783 1.5676 0.4416 0.023 Uiso 0.481(6) 1 calc PR A 2
H53B_6 H 0.4501 1.5098 0.4358 0.023 Uiso 0.481(6) 1 calc PR A 2
C54A_6 C 0.4801(2) 1.52639(18) 0.34344(14) 0.0205(15) Uani 0.481(6) 1 d PRU A 2
H54A_6 H 0.4603 1.5855 0.3446 0.025 Uiso 0.481(6) 1 calc PR A 2
H54B_6 H 0.5465 1.5473 0.3275 0.025 Uiso 0.481(6) 1 calc PR A 2
C55A_6 C 0.3876(2) 1.42915(18) 0.29611(14) 0.0208(15) Uani 0.481(6) 1 d PRU A 2
H55A_6 H 0.3810 1.4412 0.2506 0.025 Uiso 0.481(6) 1 calc PR A 2
H55B_6 H 0.3181 1.4176 0.3065 0.025 Uiso 0.481(6) 1 calc PR A 2
C56A_6 C 0.4027(2) 1.32815(18) 0.29834(14) 0.0205(14) Uani 0.481(6) 1 d PRU A 2
H56A_6 H 0.4675 1.3353 0.2833 0.025 Uiso 0.481(6) 1 calc PR A 2
H56B_6 H 0.3371 1.2656 0.2685 0.025 Uiso 0.481(6) 1 calc PR A 2
C61 C 0.5744(4) 1.2100(4) 0.3846(3) 0.0183(11) Uani 1 1 d . A .
H61 H 0.6133 1.2635 0.4277 0.022 Uiso 1 1 calc R . .
C62 C 0.5894(4) 1.1119(4) 0.3944(3) 0.0285(13) Uani 1 1 d . . .
H62A H 0.5596 1.0856 0.4309 0.034 Uiso 1 1 calc R A .
H62B H 0.5473 1.0551 0.3535 0.034 Uiso 1 1 calc R . .
C63 C 0.7100(4) 1.1359(5) 0.4104(3) 0.0360(15) Uani 1 1 d . A .
H63A H 0.7498 1.1841 0.4547 0.043 Uiso 1 1 calc R . .
H63B H 0.7154 1.0690 0.4119 0.043 Uiso 1 1 calc R . .
C64 C 0.7642(4) 1.1867(5) 0.3597(3) 0.0344(14) Uani 1 1 d . . .
H64A H 0.8436 1.2066 0.3740 0.041 Uiso 1 1 calc R A .
H64B H 0.7314 1.1348 0.3166 0.041 Uiso 1 1 calc R . .
C65 C 0.7499(4) 1.2848(4) 0.3512(3) 0.0252(12) Uani 1 1 d . A .
H65A H 0.7819 1.3135 0.3158 0.030 Uiso 1 1 calc R . .
H65B H 0.7900 1.3399 0.3929 0.030 Uiso 1 1 calc R . .
C66 C 0.6292(4) 1.2592(4) 0.3333(3) 0.0201(11) Uani 1 1 d . . .
H66A H 0.5907 1.2094 0.2894 0.024 Uiso 1 1 calc R A .
H66B H 0.6226 1.3252 0.3301 0.024 Uiso 1 1 calc R . .
C71_7 C -0.2198(9) 0.7237(10) 0.2389(7) 0.017(2) Uani 0.495(18) 1 d PU A 1
H71_7 H -0.2443 0.6511 0.2482 0.020 Uiso 0.495(18) 1 calc PR A 1
C72_7 C -0.3029(9) 0.7588(9) 0.2563(7) 0.019(2) Uani 0.495(18) 1 d PU A 1
H72A_7 H -0.2924 0.7700 0.3047 0.023 Uiso 0.495(18) 1 calc PR A 1
H72B_7 H -0.2894 0.8272 0.2437 0.023 Uiso 0.495(18) 1 calc PR A 1
C73_7 C -0.4207(8) 0.6766(9) 0.2207(8) 0.022(2) Uani 0.495(18) 1 d PU A 1
H73A_7 H -0.4721 0.7030 0.2310 0.026 Uiso 0.495(18) 1 calc PR A 1
H73B_7 H -0.4369 0.6100 0.2364 0.026 Uiso 0.495(18) 1 calc PR A 1
C74_7 C -0.4371(9) 0.6544(9) 0.1461(8) 0.020(2) Uani 0.495(18) 1 d PU A 1
H74A_7 H -0.4308 0.7187 0.1298 0.024 Uiso 0.495(18) 1 calc PR A 1
H74B_7 H -0.5121 0.5966 0.1239 0.024 Uiso 0.495(18) 1 calc PR A 1
C75_7 C -0.3521(9) 0.6223(9) 0.1272(7) 0.019(2) Uani 0.495(18) 1 d PU A 1
H75A_7 H -0.3652 0.5525 0.1375 0.023 Uiso 0.495(18) 1 calc PR A 1
H75B_7 H -0.3612 0.6152 0.0790 0.023 Uiso 0.495(18) 1 calc PR A 1
C76_7 C -0.2346(10) 0.7054(10) 0.1653(7) 0.020(2) Uani 0.495(18) 1 d PU A 1
H76A_7 H -0.1819 0.6810 0.1548 0.024 Uiso 0.495(18) 1 calc PR A 1
H76B_7 H -0.2187 0.7730 0.1512 0.024 Uiso 0.495(18) 1 calc PR A 1
C71A_8 C -0.2212(10) 0.7084(11) 0.2146(8) 0.024(2) Uani 0.505(18) 1 d PU A 2
H71A_8 H -0.2480 0.6358 0.2241 0.029 Uiso 0.505(18) 1 calc PR A 2
C72A_8 C -0.3059(9) 0.7436(10) 0.2279(8) 0.025(2) Uani 0.505(18) 1 d PU A 2
H72A_8 H -0.2894 0.8130 0.2159 0.030 Uiso 0.505(18) 1 calc PR A 2
H72B_8 H -0.3012 0.7528 0.2757 0.030 Uiso 0.505(18) 1 calc PR A 2
C73A_8 C -0.4243(9) 0.6603(10) 0.1868(9) 0.028(2) Uani 0.505(18) 1 d PU A 2
H73A_8 H -0.4442 0.5935 0.2026 0.034 Uiso 0.505(18) 1 calc PR A 2
H73B_8 H -0.4771 0.6872 0.1934 0.034 Uiso 0.505(18) 1 calc PR A 2
C74A_8 C -0.4315(10) 0.6386(10) 0.1151(8) 0.030(2) Uani 0.505(18) 1 d PU A 2
H74A_8 H -0.4228 0.7030 0.0982 0.036 Uiso 0.505(18) 1 calc PR A 2
H74B_8 H -0.5056 0.5809 0.0908 0.036 Uiso 0.505(18) 1 calc PR A 2
C75A_8 C -0.3443(9) 0.6065(10) 0.1004(7) 0.027(2) Uani 0.505(18) 1 d PU A 2
H75A_8 H -0.3593 0.5363 0.1105 0.033 Uiso 0.505(18) 1 calc PR A 2
H75B_8 H -0.3480 0.6008 0.0528 0.033 Uiso 0.505(18) 1 calc PR A 2
C76A_8 C -0.2308(10) 0.6888(11) 0.1420(7) 0.026(2) Uani 0.505(18) 1 d PU A 2
H76A_8 H -0.1762 0.6648 0.1345 0.031 Uiso 0.505(18) 1 calc PR A 2
H76B_8 H -0.2129 0.7564 0.1274 0.031 Uiso 0.505(18) 1 calc PR A 2
C81_9 C -0.0972(4) 0.7763(4) 0.3638(3) 0.0370(11) Uani 1 1 d U A .
H81_9 H -0.1381 0.8163 0.3747 0.044 Uiso 1 1 calc R . .
C82_9 C 0.0154(4) 0.8274(4) 0.4154(3) 0.0351(11) Uani 1 1 d U . .
H82A_9 H 0.0588 0.7916 0.4040 0.042 Uiso 1 1 calc R A .
H82B_9 H 0.0552 0.9030 0.4138 0.042 Uiso 1 1 calc R . .
C83_9 C 0.0067(5) 0.8207(4) 0.4854(3) 0.0373(11) Uani 1 1 d U A .
H83A_9 H 0.0813 0.8517 0.5165 0.045 Uiso 1 1 calc R . .
H83B_9 H -0.0302 0.8625 0.4987 0.045 Uiso 1 1 calc R . .
C84_9 C -0.0581(5) 0.7061(4) 0.4896(3) 0.0426(12) Uani 1 1 d U . .
H84A_9 H -0.0169 0.6661 0.4815 0.051 Uiso 1 1 calc R A .
H84B_9 H -0.0674 0.7041 0.5347 0.051 Uiso 1 1 calc R . .
C85_9 C -0.1704(5) 0.6541(5) 0.4388(3) 0.0483(13) Uani 1 1 d U A .
H85A_9 H -0.2146 0.6887 0.4507 0.058 Uiso 1 1 calc R . .
H85B_9 H -0.2089 0.5784 0.4404 0.058 Uiso 1 1 calc R . .
C86_9 C -0.1633(5) 0.6613(4) 0.3681(3) 0.0425(12) Uani 1 1 d U . .
H86A_9 H -0.1279 0.6185 0.3538 0.051 Uiso 1 1 calc R A .
H86B_9 H -0.2384 0.6313 0.3377 0.051 Uiso 1 1 calc R . .
C91 C -0.0288(5) 0.9362(4) 0.2866(3) 0.0412(12) Uani 1 1 d U A .
H91 H 0.0529 0.9687 0.3054 0.049 Uiso 1 1 calc R . .
C92 C -0.0462(5) 0.9599(5) 0.2172(4) 0.0484(13) Uani 1 1 d U . .
H92A H -0.0206 0.9207 0.1888 0.058 Uiso 1 1 calc R A .
H92B H -0.1255 0.9352 0.1967 0.058 Uiso 1 1 calc R . .
C93 C 0.0171(5) 1.0790(5) 0.2213(4) 0.0538(13) Uani 1 1 d U A .
H93A H 0.0970 1.1019 0.2372 0.065 Uiso 1 1 calc R . .
H93B H 0.0014 1.0931 0.1765 0.065 Uiso 1 1 calc R . .
C94 C -0.0148(5) 1.1423(5) 0.2677(4) 0.0535(13) Uani 1 1 d U . .
H94A H 0.0312 1.2190 0.2719 0.064 Uiso 1 1 calc R A .
H94B H -0.0925 1.1259 0.2486 0.064 Uiso 1 1 calc R . .
C95 C -0.0009(5) 1.1179(5) 0.3355(4) 0.0477(12) Uani 1 1 d U A .
H95A H -0.0274 1.1571 0.3632 0.057 Uiso 1 1 calc R . .
H95B H 0.0781 1.1424 0.3569 0.057 Uiso 1 1 calc R . .
C96 C -0.0654(5) 0.9976(4) 0.3316(4) 0.0445(12) Uani 1 1 d U . .
H96A H -0.0519 0.9835 0.3765 0.053 Uiso 1 1 calc R A .
H96B H -0.1452 0.9740 0.3139 0.053 Uiso 1 1 calc R . .
C101 C 0.1388(4) 0.5531(4) 0.1814(3) 0.0223(11) Uani 1 1 d . A .
H101 H 0.2147 0.5991 0.2114 0.027 Uiso 1 1 calc R . .
C102 C 0.1342(4) 0.6023(5) 0.1209(3) 0.0326(14) Uani 1 1 d . . .
H10A H 0.0622 0.5585 0.0875 0.039 Uiso 1 1 calc R A .
H10B H 0.1412 0.6742 0.1343 0.039 Uiso 1 1 calc R . .
C103 C 0.2262(4) 0.6096(4) 0.0900(3) 0.0329(14) Uani 1 1 d . A .
H10C H 0.2176 0.6366 0.0492 0.039 Uiso 1 1 calc R . .
H10D H 0.2980 0.6608 0.1213 0.039 Uiso 1 1 calc R . .
C104 C 0.2252(4) 0.5024(4) 0.0732(3) 0.0279(13) Uani 1 1 d . . .
H10E H 0.1576 0.4539 0.0374 0.034 Uiso 1 1 calc R A .
H10F H 0.2892 0.5116 0.0567 0.034 Uiso 1 1 calc R . .
C105 C 0.2293(4) 0.4537(4) 0.1327(3) 0.0297(13) Uani 1 1 d . A .
H10G H 0.3006 0.4980 0.1666 0.036 Uiso 1 1 calc R . .
H10H H 0.2237 0.3822 0.1195 0.036 Uiso 1 1 calc R . .
C106 C 0.1351(4) 0.4446(4) 0.1626(3) 0.0274(13) Uani 1 1 d . . .
H10I H 0.0638 0.3955 0.1300 0.033 Uiso 1 1 calc R A .
H10J H 0.1411 0.4147 0.2024 0.033 Uiso 1 1 calc R . .
C111 C -0.0948(4) 0.4556(4) 0.1895(3) 0.0257(10) Uani 1 1 d U A .
H111 H -0.1425 0.4722 0.2134 0.031 Uiso 1 1 calc R . .
C112 C -0.1166(4) 0.3425(4) 0.1955(3) 0.0280(11) Uani 1 1 d U . .
H11A H -0.0737 0.3196 0.1714 0.034 Uiso 1 1 calc R A .
H11B H -0.0922 0.3417 0.2427 0.034 Uiso 1 1 calc R . .
C113 C -0.2392(4) 0.2649(4) 0.1670(3) 0.0360(12) Uani 1 1 d U A .
H11C H -0.2507 0.1919 0.1689 0.043 Uiso 1 1 calc R . .
H11D H -0.2813 0.2832 0.1942 0.043 Uiso 1 1 calc R . .
C114 C -0.2815(5) 0.2688(5) 0.0958(3) 0.0404(12) Uani 1 1 d U . .
H11E H -0.3613 0.2203 0.0792 0.048 Uiso 1 1 calc R A .
H11F H -0.2441 0.2443 0.0678 0.048 Uiso 1 1 calc R . .
C115 C -0.2611(4) 0.3809(5) 0.0902(3) 0.0383(12) Uani 1 1 d U A .
H11G H -0.3030 0.4036 0.1153 0.046 Uiso 1 1 calc R . .
H11H H -0.2870 0.3818 0.0431 0.046 Uiso 1 1 calc R . .
C116 C -0.1379(4) 0.4582(4) 0.1176(3) 0.0322(11) Uani 1 1 d U . .
H11I H -0.0967 0.4386 0.0904 0.039 Uiso 1 1 calc R A .
H11J H -0.1261 0.5311 0.1151 0.039 Uiso 1 1 calc R . .
C121 C 0.0862(4) 0.5209(4) 0.3061(2) 0.0221(12) Uani 1 1 d . A .
H121 H 0.0675 0.4442 0.2929 0.027 Uiso 1 1 calc R . .
C122 C 0.0176(5) 0.5297(4) 0.3513(3) 0.0313(13) Uani 1 1 d . . .
H12C H -0.0614 0.4861 0.3274 0.038 Uiso 1 1 calc R A .
H12D H 0.0314 0.6044 0.3629 0.038 Uiso 1 1 calc R . .
C123 C 0.0435(6) 0.4929(5) 0.4148(3) 0.0467(18) Uani 1 1 d . A .
H12E H -0.0017 0.5016 0.4432 0.056 Uiso 1 1 calc R . .
H12F H 0.0246 0.4167 0.4037 0.056 Uiso 1 1 calc R . .
C124 C 0.1635(6) 0.5563(5) 0.4519(3) 0.064(2) Uani 1 1 d . . .
H12G H 0.1797 0.5301 0.4921 0.077 Uiso 1 1 calc R A .
H12H H 0.1816 0.6319 0.4658 0.077 Uiso 1 1 calc R . .
C125 C 0.2333(5) 0.5457(5) 0.4072(3) 0.057(2) Uani 1 1 d . A .
H12I H 0.3121 0.5887 0.4316 0.068 Uiso 1 1 calc R . .
H12J H 0.2186 0.4706 0.3962 0.068 Uiso 1 1 calc R . .
C126 C 0.2092(5) 0.5820(4) 0.3432(3) 0.0375(15) Uani 1 1 d . . .
H12K H 0.2526 0.5698 0.3146 0.045 Uiso 1 1 calc R A .
H12L H 0.2315 0.6590 0.3536 0.045 Uiso 1 1 calc R . .


_geom_special_details            
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P2 2.2901(14) . ?
Pt1 P1 2.2919(15) . ?
Pt1 Sn3 2.6433(4) . ?
P1 C31_3 1.621(3) . ?
P1 C21A_2 1.804(3) . ?
P1 C11 1.859(5) . ?
P1 C21_1 1.951(5) . ?
P1 C31A_4 2.085(3) . ?
Pt2 P4 2.2764(13) . ?
Pt2 P3 2.2993(14) . ?
Pt2 Sn3 2.6565(4) . ?
P2 C61 1.846(4) . ?
P2 C41 1.851(5) . ?
P2 C51_5 1.869(3) . ?
P2 C51A_6 1.937(3) . ?
Sn3 Br4 2.6606(7) . ?
Sn3 Br5 2.6740(6) . ?
P3 C71_7 1.774(12) . ?
P3 C81_9 1.844(6) . ?
P3 C91 1.861(5) . ?
P3 C71A_8 1.971(14) . ?
P4 C101 1.844(5) . ?
P4 C121 1.853(5) . ?
P4 C111 1.865(5) . ?
C11 C12 1.520(7) . ?
C11 C16 1.524(7) . ?
C11 H11 1.0000 . ?
C12 C13 1.526(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.513(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.534(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.535(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21_1 C26_1 1.5242 . ?
C21_1 C22_1 1.5444 . ?
C21_1 H21_1 1.0000 . ?
C22_1 C23_1 1.5286 . ?
C22_1 H22A_1 0.9900 . ?
C22_1 H22B_1 0.9900 . ?
C23_1 C24_1 1.5578 . ?
C23_1 H23A_1 0.9900 . ?
C23_1 H23B_1 0.9900 . ?
C24_1 C25_1 1.5626 . ?
C24_1 H24A_1 0.9900 . ?
C24_1 H24B_1 0.9900 . ?
C25_1 C26_1 1.6034 . ?
C25_1 H25A_1 0.9900 . ?
C25_1 H25B_1 0.9900 . ?
C26_1 H26A_1 0.9900 . ?
C26_1 H26B_1 0.9900 . ?
C21A_2 C22A_2 1.5202 . ?
C21A_2 C26A_2 1.5307 . ?
C21A_2 H21A_2 1.0000 . ?
C22A_2 C23A_2 1.6322 . ?
C22A_2 H22A_2 0.9900 . ?
C22A_2 H22B_2 0.9900 . ?
C23A_2 C24A_2 1.4796 . ?
C23A_2 H23A_2 0.9900 . ?
C23A_2 H23B_2 0.9900 . ?
C24A_2 C25A_2 1.5299 . ?
C24A_2 H24A_2 0.9900 . ?
C24A_2 H24B_2 0.9900 . ?
C25A_2 C26A_2 1.6086 . ?
C25A_2 H25A_2 0.9900 . ?
C25A_2 H25B_2 0.9900 . ?
C26A_2 H26A_2 0.9900 . ?
C26A_2 H26B_2 0.9900 . ?
C31_3 C32_3 1.6135 . ?
C31_3 C36_3 1.6176 . ?
C31_3 H31_3 1.0000 . ?
C32_3 C33_3 1.6235 . ?
C32_3 H32A_3 0.9900 . ?
C32_3 H32B_3 0.9900 . ?
C33_3 C34_3 1.5533 . ?
C33_3 H33A_3 0.9900 . ?
C33_3 H33B_3 0.9900 . ?
C34_3 C35_3 1.5819 . ?
C34_3 H34A_3 0.9900 . ?
C34_3 H34B_3 0.9900 . ?
C35_3 C36_3 1.5644 . ?
C35_3 H35A_3 0.9900 . ?
C35_3 H35B_3 0.9900 . ?
C36_3 H36A_3 0.9900 . ?
C36_3 H36B_3 0.9900 . ?
C31A_4 C32A_4 1.5008 . ?
C31A_4 C36A_4 1.5542 . ?
C31A_4 H31A_4 1.0000 . ?
C32A_4 C33A_4 1.5034 . ?
C32A_4 H32A_4 0.9900 . ?
C32A_4 H32B_4 0.9900 . ?
C33A_4 C34A_4 1.6203 . ?
C33A_4 H33A_4 0.9900 . ?
C33A_4 H33B_4 0.9900 . ?
C34A_4 C35A_4 1.5777 . ?
C34A_4 H34A_4 0.9900 . ?
C34A_4 H34B_4 0.9900 . ?
C35A_4 C36A_4 1.5583 . ?
C35A_4 H35A_4 0.9900 . ?
C35A_4 H35B_4 0.9900 . ?
C36A_4 H36A_4 0.9900 . ?
C36A_4 H36B_4 0.9900 . ?
C41 C46 1.524(6) . ?
C41 C42 1.530(7) . ?
C41 H41 1.0000 . ?
C42 C43 1.525(7) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.513(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.521(7) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.530(7) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51_5 C56_5 1.5185 . ?
C51_5 C52_5 1.5265 . ?
C51_5 H51_5 1.0000 . ?
C52_5 C53_5 1.5455 . ?
C52_5 H52A_5 0.9900 . ?
C52_5 H52B_5 0.9900 . ?
C53_5 C54_5 1.5539 . ?
C53_5 H53A_5 0.9900 . ?
C53_5 H53B_5 0.9900 . ?
C54_5 C55_5 1.5125 . ?
C54_5 H54A_5 0.9900 . ?
C54_5 H54B_5 0.9900 . ?
C55_5 C56_5 1.5729 . ?
C55_5 H55A_5 0.9900 . ?
C55_5 H55B_5 0.9900 . ?
C56_5 H56A_5 0.9900 . ?
C56_5 H56B_5 0.9900 . ?
C51A_6 C52A_6 1.4727 . ?
C51A_6 C56A_6 1.6224 . ?
C51A_6 H51A_6 1.0000 . ?
C52A_6 C53A_6 1.5031 . ?
C52A_6 H52A_6 0.9900 . ?
C52A_6 H52B_6 0.9900 . ?
C53A_6 C54A_6 1.5693 . ?
C53A_6 H53A_6 0.9900 . ?
C53A_6 H53B_6 0.9900 . ?
C54A_6 C55A_6 1.4971 . ?
C54A_6 H54A_6 0.9900 . ?
C54A_6 H54B_6 0.9900 . ?
C55A_6 C56A_6 1.5438 . ?
C55A_6 H55A_6 0.9900 . ?
C55A_6 H55B_6 0.9900 . ?
C56A_6 H56A_6 0.9900 . ?
C56A_6 H56B_6 0.9900 . ?
C61 C66 1.522(6) . ?
C61 C62 1.527(6) . ?
C61 H61 1.0000 . ?
C62 C63 1.524(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.516(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.516(7) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.520(6) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C71_7 C76_7 1.507(15) . ?
C71_7 C72_7 1.536(14) . ?
C71_7 H71_7 1.0000 . ?
C72_7 C73_7 1.521(15) . ?
C72_7 H72A_7 0.9900 . ?
C72_7 H72B_7 0.9900 . ?
C73_7 C74_7 1.526(15) . ?
C73_7 H73A_7 0.9900 . ?
C73_7 H73B_7 0.9900 . ?
C74_7 C75_7 1.546(14) . ?
C74_7 H74A_7 0.9900 . ?
C74_7 H74B_7 0.9900 . ?
C75_7 C76_7 1.533(15) . ?
C75_7 H75A_7 0.9900 . ?
C75_7 H75B_7 0.9900 . ?
C76_7 H76A_7 0.9900 . ?
C76_7 H76B_7 0.9900 . ?
C71A_8 C76A_8 1.498(16) . ?
C71A_8 C72A_8 1.528(16) . ?
C71A_8 H71A_8 1.0000 . ?
C72A_8 C73A_8 1.557(16) . ?
C72A_8 H72A_8 0.9900 . ?
C72A_8 H72B_8 0.9900 . ?
C73A_8 C74A_8 1.489(16) . ?
C73A_8 H73A_8 0.9900 . ?
C73A_8 H73B_8 0.9900 . ?
C74A_8 C75A_8 1.544(15) . ?
C74A_8 H74A_8 0.9900 . ?
C74A_8 H74B_8 0.9900 . ?
C75A_8 C76A_8 1.515(16) . ?
C75A_8 H75A_8 0.9900 . ?
C75A_8 H75B_8 0.9900 . ?
C76A_8 H76A_8 0.9900 . ?
C76A_8 H76B_8 0.9900 . ?
C81_9 C86_9 1.530(7) . ?
C81_9 C82_9 1.532(8) . ?
C81_9 H81_9 1.0000 . ?
C82_9 C83_9 1.522(8) . ?
C82_9 H82A_9 0.9900 . ?
C82_9 H82B_9 0.9900 . ?
C83_9 C84_9 1.522(7) . ?
C83_9 H83A_9 0.9900 . ?
C83_9 H83B_9 0.9900 . ?
C84_9 C85_9 1.521(8) . ?
C84_9 H84A_9 0.9900 . ?
C84_9 H84B_9 0.9900 . ?
C85_9 C86_9 1.532(9) . ?
C85_9 H85A_9 0.9900 . ?
C85_9 H85B_9 0.9900 . ?
C86_9 H86A_9 0.9900 . ?
C86_9 H86B_9 0.9900 . ?
C91 C96 1.525(8) . ?
C91 C92 1.539(9) . ?
C91 H91 1.0000 . ?
C92 C93 1.530(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.517(9) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.506(9) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.547(8) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C101 C106 1.529(7) . ?
C101 C102 1.530(7) . ?
C101 H101 1.0000 . ?
C102 C103 1.529(7) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C103 C104 1.522(7) . ?
C103 H10C 0.9900 . ?
C103 H10D 0.9900 . ?
C104 C105 1.508(7) . ?
C104 H10E 0.9900 . ?
C104 H10F 0.9900 . ?
C105 C106 1.537(7) . ?
C105 H10G 0.9900 . ?
C105 H10H 0.9900 . ?
C106 H10I 0.9900 . ?
C106 H10J 0.9900 . ?
C111 C116 1.527(7) . ?
C111 C112 1.534(7) . ?
C111 H111 1.0000 . ?
C112 C113 1.533(7) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C114 1.519(8) . ?
C113 H11C 0.9900 . ?
C113 H11D 0.9900 . ?
C114 C115 1.522(8) . ?
C114 H11E 0.9900 . ?
C114 H11F 0.9900 . ?
C115 C116 1.536(7) . ?
C115 H11G 0.9900 . ?
C115 H11H 0.9900 . ?
C116 H11I 0.9900 . ?
C116 H11J 0.9900 . ?
C121 C122 1.518(7) . ?
C121 C126 1.536(7) . ?
C121 H121 1.0000 . ?
C122 C123 1.525(7) . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C123 C124 1.506(9) . ?
C123 H12E 0.9900 . ?
C123 H12F 0.9900 . ?
C124 C125 1.529(10) . ?
C124 H12G 0.9900 . ?
C124 H12H 0.9900 . ?
C125 C126 1.529(8) . ?
C125 H12I 0.9900 . ?
C125 H12J 0.9900 . ?
C126 H12K 0.9900 . ?
C126 H12L 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pt1 P1 149.77(5) . . ?
P2 Pt1 Sn3 107.24(3) . . ?
P1 Pt1 Sn3 100.37(4) . . ?
C31_3 P1 C21A_2 86.18(13) . . ?
C31_3 P1 C11 119.0(2) . . ?
C21A_2 P1 C11 101.54(18) . . ?
C31_3 P1 C21_1 107.29(17) . . ?
C21A_2 P1 C21_1 27.90(16) . . ?
C11 P1 C21_1 105.6(2) . . ?
C31_3 P1 C31A_4 19.9 . . ?
C21A_2 P1 C31A_4 96.33(12) . . ?
C11 P1 C31A_4 100.05(18) . . ?
C21_1 P1 C31A_4 121.68(17) . . ?
C31_3 P1 Pt1 105.30(11) . . ?
C21A_2 P1 Pt1 131.75(11) . . ?
C11 P1 Pt1 112.01(17) . . ?
C21_1 P1 Pt1 107.10(16) . . ?
C31A_4 P1 Pt1 110.18(9) . . ?
P4 Pt2 P3 148.26(5) . . ?
P4 Pt2 Sn3 104.90(3) . . ?
P3 Pt2 Sn3 104.67(4) . . ?
C61 P2 C41 103.1(2) . . ?
C61 P2 C51_5 102.34(17) . . ?
C41 P2 C51_5 111.87(18) . . ?
C61 P2 C51A_6 107.92(17) . . ?
C41 P2 C51A_6 97.14(18) . . ?
C51_5 P2 C51A_6 14.8 . . ?
C61 P2 Pt1 108.43(16) . . ?
C41 P2 Pt1 123.00(16) . . ?
C51_5 P2 Pt1 106.18(10) . . ?
C51A_6 P2 Pt1 115.77(10) . . ?
Pt1 Sn3 Pt2 139.035(15) . . ?
Pt1 Sn3 Br4 112.452(17) . . ?
Pt2 Sn3 Br4 99.137(16) . . ?
Pt1 Sn3 Br5 95.511(16) . . ?
Pt2 Sn3 Br5 111.471(17) . . ?
Br4 Sn3 Br5 88.09(2) . . ?
C71_7 P3 C81_9 94.7(5) . . ?
C71_7 P3 C91 108.5(4) . . ?
C81_9 P3 C91 103.0(3) . . ?
C71_7 P3 C71A_8 15.1(5) . . ?
C81_9 P3 C71A_8 108.2(5) . . ?
C91 P3 C71A_8 110.7(5) . . ?
C71_7 P3 Pt2 115.9(4) . . ?
C81_9 P3 Pt2 112.05(18) . . ?
C91 P3 Pt2 119.15(19) . . ?
C71A_8 P3 Pt2 103.5(4) . . ?
C101 P4 C121 104.0(2) . . ?
C101 P4 C111 108.6(2) . . ?
C121 P4 C111 101.4(2) . . ?
C101 P4 Pt2 123.09(16) . . ?
C121 P4 Pt2 112.06(17) . . ?
C111 P4 Pt2 105.61(17) . . ?
C12 C11 C16 110.5(4) . . ?
C12 C11 P1 117.8(3) . . ?
C16 C11 P1 111.7(3) . . ?
C12 C11 H11 105.3 . . ?
C16 C11 H11 105.3 . . ?
P1 C11 H11 105.3 . . ?
C11 C12 C13 110.3(4) . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C12 111.3(4) . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C15 110.2(4) . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
C15 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 111.8(4) . . ?
C14 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
C11 C16 C15 111.7(4) . . ?
C11 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C11 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C26_1 C21_1 C22_1 113.7 . . ?
C26_1 C21_1 P1 107.20(14) . . ?
C22_1 C21_1 P1 113.82(14) . . ?
C26_1 C21_1 H21_1 107.3 . . ?
C22_1 C21_1 H21_1 107.3 . . ?
P1 C21_1 H21_1 107.3 . . ?
C23_1 C22_1 C21_1 108.2 . . ?
C23_1 C22_1 H22A_1 110.1 . . ?
C21_1 C22_1 H22A_1 110.1 . . ?
C23_1 C22_1 H22B_1 110.1 . . ?
C21_1 C22_1 H22B_1 110.1 . . ?
H22A_1 C22_1 H22B_1 108.4 . . ?
C22_1 C23_1 C24_1 109.8 . . ?
C22_1 C23_1 H23A_1 109.7 . . ?
C24_1 C23_1 H23A_1 109.7 . . ?
C22_1 C23_1 H23B_1 109.7 . . ?
C24_1 C23_1 H23B_1 109.7 . . ?
H23A_1 C23_1 H23B_1 108.2 . . ?
C23_1 C24_1 C25_1 108.5 . . ?
C23_1 C24_1 H24A_1 110.0 . . ?
C25_1 C24_1 H24A_1 110.0 . . ?
C23_1 C24_1 H24B_1 110.0 . . ?
C25_1 C24_1 H24B_1 110.0 . . ?
H24A_1 C24_1 H24B_1 108.4 . . ?
C24_1 C25_1 C26_1 111.2 . . ?
C24_1 C25_1 H25A_1 109.4 . . ?
C26_1 C25_1 H25A_1 109.4 . . ?
C24_1 C25_1 H25B_1 109.4 . . ?
C26_1 C25_1 H25B_1 109.4 . . ?
H25A_1 C25_1 H25B_1 108.0 . . ?
C21_1 C26_1 C25_1 108.7 . . ?
C21_1 C26_1 H26A_1 109.9 . . ?
C25_1 C26_1 H26A_1 109.9 . . ?
C21_1 C26_1 H26B_1 109.9 . . ?
C25_1 C26_1 H26B_1 109.9 . . ?
H26A_1 C26_1 H26B_1 108.3 . . ?
C22A_2 C21A_2 C26A_2 108.0 . . ?
C22A_2 C21A_2 P1 109.65(9) . . ?
C26A_2 C21A_2 P1 108.56(9) . . ?
C22A_2 C21A_2 H21A_2 110.2 . . ?
C26A_2 C21A_2 H21A_2 110.2 . . ?
P1 C21A_2 H21A_2 110.2 . . ?
C21A_2 C22A_2 C23A_2 107.5 . . ?
C21A_2 C22A_2 H22A_2 110.2 . . ?
C23A_2 C22A_2 H22A_2 110.2 . . ?
C21A_2 C22A_2 H22B_2 110.2 . . ?
C23A_2 C22A_2 H22B_2 110.2 . . ?
H22A_2 C22A_2 H22B_2 108.5 . . ?
C24A_2 C23A_2 C22A_2 108.2 . . ?
C24A_2 C23A_2 H23A_2 110.1 . . ?
C22A_2 C23A_2 H23A_2 110.1 . . ?
C24A_2 C23A_2 H23B_2 110.1 . . ?
C22A_2 C23A_2 H23B_2 110.1 . . ?
H23A_2 C23A_2 H23B_2 108.4 . . ?
C23A_2 C24A_2 C25A_2 110.1 . . ?
C23A_2 C24A_2 H24A_2 109.6 . . ?
C25A_2 C24A_2 H24A_2 109.6 . . ?
C23A_2 C24A_2 H24B_2 109.6 . . ?
C25A_2 C24A_2 H24B_2 109.6 . . ?
H24A_2 C24A_2 H24B_2 108.2 . . ?
C24A_2 C25A_2 C26A_2 109.1 . . ?
C24A_2 C25A_2 H25A_2 109.9 . . ?
C26A_2 C25A_2 H25A_2 109.9 . . ?
C24A_2 C25A_2 H25B_2 109.9 . . ?
C26A_2 C25A_2 H25B_2 109.9 . . ?
H25A_2 C25A_2 H25B_2 108.3 . . ?
C21A_2 C26A_2 C25A_2 113.8 . . ?
C21A_2 C26A_2 H26A_2 108.8 . . ?
C25A_2 C26A_2 H26A_2 108.8 . . ?
C21A_2 C26A_2 H26B_2 108.8 . . ?
C25A_2 C26A_2 H26B_2 108.8 . . ?
H26A_2 C26A_2 H26B_2 107.7 . . ?
C32_3 C31_3 C36_3 106.6 . . ?
C32_3 C31_3 P1 115.02(10) . . ?
C36_3 C31_3 P1 108.73(10) . . ?
C32_3 C31_3 H31_3 108.8 . . ?
C36_3 C31_3 H31_3 108.8 . . ?
P1 C31_3 H31_3 108.8 . . ?
C31_3 C32_3 C33_3 108.3 . . ?
C31_3 C32_3 H32A_3 110.0 . . ?
C33_3 C32_3 H32A_3 110.0 . . ?
C31_3 C32_3 H32B_3 110.0 . . ?
C33_3 C32_3 H32B_3 110.0 . . ?
H32A_3 C32_3 H32B_3 108.4 . . ?
C34_3 C33_3 C32_3 112.8 . . ?
C34_3 C33_3 H33A_3 109.0 . . ?
C32_3 C33_3 H33A_3 109.0 . . ?
C34_3 C33_3 H33B_3 109.0 . . ?
C32_3 C33_3 H33B_3 109.0 . . ?
H33A_3 C33_3 H33B_3 107.8 . . ?
C33_3 C34_3 C35_3 110.0 . . ?
C33_3 C34_3 H34A_3 109.7 . . ?
C35_3 C34_3 H34A_3 109.7 . . ?
C33_3 C34_3 H34B_3 109.7 . . ?
C35_3 C34_3 H34B_3 109.7 . . ?
H34A_3 C34_3 H34B_3 108.2 . . ?
C36_3 C35_3 C34_3 108.7 . . ?
C36_3 C35_3 H35A_3 109.9 . . ?
C34_3 C35_3 H35A_3 109.9 . . ?
C36_3 C35_3 H35B_3 109.9 . . ?
C34_3 C35_3 H35B_3 109.9 . . ?
H35A_3 C35_3 H35B_3 108.3 . . ?
C35_3 C36_3 C31_3 110.6 . . ?
C35_3 C36_3 H36A_3 109.5 . . ?
C31_3 C36_3 H36A_3 109.5 . . ?
C35_3 C36_3 H36B_3 109.5 . . ?
C31_3 C36_3 H36B_3 109.5 . . ?
H36A_3 C36_3 H36B_3 108.1 . . ?
C32A_4 C31A_4 C36A_4 109.6 . . ?
C32A_4 C31A_4 P1 120.04(8) . . ?
C36A_4 C31A_4 P1 108.13(8) . . ?
C32A_4 C31A_4 H31A_4 106.0 . . ?
C36A_4 C31A_4 H31A_4 106.0 . . ?
P1 C31A_4 H31A_4 106.0 . . ?
C31A_4 C32A_4 C33A_4 113.3 . . ?
C31A_4 C32A_4 H32A_4 108.9 . . ?
C33A_4 C32A_4 H32A_4 108.9 . . ?
C31A_4 C32A_4 H32B_4 108.9 . . ?
C33A_4 C32A_4 H32B_4 108.9 . . ?
H32A_4 C32A_4 H32B_4 107.7 . . ?
C32A_4 C33A_4 C34A_4 107.3 . . ?
C32A_4 C33A_4 H33A_4 110.2 . . ?
C34A_4 C33A_4 H33A_4 110.2 . . ?
C32A_4 C33A_4 H33B_4 110.2 . . ?
C34A_4 C33A_4 H33B_4 110.2 . . ?
H33A_4 C33A_4 H33B_4 108.5 . . ?
C35A_4 C34A_4 C33A_4 111.0 . . ?
C35A_4 C34A_4 H34A_4 109.4 . . ?
C33A_4 C34A_4 H34A_4 109.4 . . ?
C35A_4 C34A_4 H34B_4 109.4 . . ?
C33A_4 C34A_4 H34B_4 109.4 . . ?
H34A_4 C34A_4 H34B_4 108.0 . . ?
C36A_4 C35A_4 C34A_4 108.8 . . ?
C36A_4 C35A_4 H35A_4 109.9 . . ?
C34A_4 C35A_4 H35A_4 109.9 . . ?
C36A_4 C35A_4 H35B_4 109.9 . . ?
C34A_4 C35A_4 H35B_4 109.9 . . ?
H35A_4 C35A_4 H35B_4 108.3 . . ?
C31A_4 C36A_4 C35A_4 112.6 . . ?
C31A_4 C36A_4 H36A_4 109.1 . . ?
C35A_4 C36A_4 H36A_4 109.1 . . ?
C31A_4 C36A_4 H36B_4 109.1 . . ?
C35A_4 C36A_4 H36B_4 109.1 . . ?
H36A_4 C36A_4 H36B_4 107.8 . . ?
C46 C41 C42 110.1(4) . . ?
C46 C41 P2 112.7(3) . . ?
C42 C41 P2 117.9(3) . . ?
C46 C41 H41 105.0 . . ?
C42 C41 H41 105.0 . . ?
P2 C41 H41 105.0 . . ?
C43 C42 C41 110.6(4) . . ?
C43 C42 H42A 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
C44 C43 C42 111.3(4) . . ?
C44 C43 H43A 109.4 . . ?
C42 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C43 C44 C45 111.1(4) . . ?
C43 C44 H44A 109.4 . . ?
C45 C44 H44A 109.4 . . ?
C43 C44 H44B 109.4 . . ?
C45 C44 H44B 109.4 . . ?
H44A C44 H44B 108.0 . . ?
C44 C45 C46 111.5(4) . . ?
C44 C45 H45A 109.3 . . ?
C46 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C46 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
C41 C46 C45 111.4(4) . . ?
C41 C46 H46A 109.4 . . ?
C45 C46 H46A 109.4 . . ?
C41 C46 H46B 109.4 . . ?
C45 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
C56_5 C51_5 C52_5 122.2 . . ?
C56_5 C51_5 P2 114.22(9) . . ?
C52_5 C51_5 P2 114.67(9) . . ?
C56_5 C51_5 H51_5 100.0 . . ?
C52_5 C51_5 H51_5 100.0 . . ?
P2 C51_5 H51_5 100.0 . . ?
C51_5 C52_5 C53_5 109.6 . . ?
C51_5 C52_5 H52A_5 109.8 . . ?
C53_5 C52_5 H52A_5 109.8 . . ?
C51_5 C52_5 H52B_5 109.8 . . ?
C53_5 C52_5 H52B_5 109.8 . . ?
H52A_5 C52_5 H52B_5 108.2 . . ?
C52_5 C53_5 C54_5 113.6 . . ?
C52_5 C53_5 H53A_5 108.9 . . ?
C54_5 C53_5 H53A_5 108.9 . . ?
C52_5 C53_5 H53B_5 108.9 . . ?
C54_5 C53_5 H53B_5 108.9 . . ?
H53A_5 C53_5 H53B_5 107.7 . . ?
C55_5 C54_5 C53_5 107.6 . . ?
C55_5 C54_5 H54A_5 110.2 . . ?
C53_5 C54_5 H54A_5 110.2 . . ?
C55_5 C54_5 H54B_5 110.2 . . ?
C53_5 C54_5 H54B_5 110.2 . . ?
H54A_5 C54_5 H54B_5 108.5 . . ?
C54_5 C55_5 C56_5 114.4 . . ?
C54_5 C55_5 H55A_5 108.7 . . ?
C56_5 C55_5 H55A_5 108.7 . . ?
C54_5 C55_5 H55B_5 108.7 . . ?
C56_5 C55_5 H55B_5 108.7 . . ?
H55A_5 C55_5 H55B_5 107.6 . . ?
C51_5 C56_5 C55_5 106.7 . . ?
C51_5 C56_5 H56A_5 110.4 . . ?
C55_5 C56_5 H56A_5 110.4 . . ?
C51_5 C56_5 H56B_5 110.4 . . ?
C55_5 C56_5 H56B_5 110.4 . . ?
H56A_5 C56_5 H56B_5 108.6 . . ?
C52A_6 C51A_6 C56A_6 112.0 . . ?
C52A_6 C51A_6 P2 117.45(8) . . ?
C56A_6 C51A_6 P2 102.65(10) . . ?
C52A_6 C51A_6 H51A_6 108.1 . . ?
C56A_6 C51A_6 H51A_6 108.1 . . ?
P2 C51A_6 H51A_6 108.1 . . ?
C51A_6 C52A_6 C53A_6 113.0 . . ?
C51A_6 C52A_6 H52A_6 109.0 . . ?
C53A_6 C52A_6 H52A_6 109.0 . . ?
C51A_6 C52A_6 H52B_6 109.0 . . ?
C53A_6 C52A_6 H52B_6 109.0 . . ?
H52A_6 C52A_6 H52B_6 107.8 . . ?
C52A_6 C53A_6 C54A_6 116.3 . . ?
C52A_6 C53A_6 H53A_6 108.2 . . ?
C54A_6 C53A_6 H53A_6 108.2 . . ?
C52A_6 C53A_6 H53B_6 108.2 . . ?
C54A_6 C53A_6 H53B_6 108.2 . . ?
H53A_6 C53A_6 H53B_6 107.4 . . ?
C55A_6 C54A_6 C53A_6 111.9 . . ?
C55A_6 C54A_6 H54A_6 109.2 . . ?
C53A_6 C54A_6 H54A_6 109.2 . . ?
C55A_6 C54A_6 H54B_6 109.2 . . ?
C53A_6 C54A_6 H54B_6 109.2 . . ?
H54A_6 C54A_6 H54B_6 107.9 . . ?
C54A_6 C55A_6 C56A_6 113.3 . . ?
C54A_6 C55A_6 H55A_6 108.9 . . ?
C56A_6 C55A_6 H55A_6 108.9 . . ?
C54A_6 C55A_6 H55B_6 108.9 . . ?
C56A_6 C55A_6 H55B_6 108.9 . . ?
H55A_6 C55A_6 H55B_6 107.7 . . ?
C55A_6 C56A_6 C51A_6 108.7 . . ?
C55A_6 C56A_6 H56A_6 110.0 . . ?
C51A_6 C56A_6 H56A_6 110.0 . . ?
C55A_6 C56A_6 H56B_6 110.0 . . ?
C51A_6 C56A_6 H56B_6 110.0 . . ?
H56A_6 C56A_6 H56B_6 108.3 . . ?
C66 C61 C62 110.9(4) . . ?
C66 C61 P2 113.4(3) . . ?
C62 C61 P2 111.0(3) . . ?
C66 C61 H61 107.1 . . ?
C62 C61 H61 107.1 . . ?
P2 C61 H61 107.1 . . ?
C63 C62 C61 111.8(4) . . ?
C63 C62 H62A 109.3 . . ?
C61 C62 H62A 109.3 . . ?
C63 C62 H62B 109.3 . . ?
C61 C62 H62B 109.3 . . ?
H62A C62 H62B 107.9 . . ?
C64 C63 C62 112.1(5) . . ?
C64 C63 H63A 109.2 . . ?
C62 C63 H63A 109.2 . . ?
C64 C63 H63B 109.2 . . ?
C62 C63 H63B 109.2 . . ?
H63A C63 H63B 107.9 . . ?
C65 C64 C63 111.3(4) . . ?
C65 C64 H64A 109.4 . . ?
C63 C64 H64A 109.4 . . ?
C65 C64 H64B 109.4 . . ?
C63 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C64 C65 C66 111.1(4) . . ?
C64 C65 H65A 109.4 . . ?
C66 C65 H65A 109.4 . . ?
C64 C65 H65B 109.4 . . ?
C66 C65 H65B 109.4 . . ?
H65A C65 H65B 108.0 . . ?
C65 C66 C61 111.6(4) . . ?
C65 C66 H66A 109.3 . . ?
C61 C66 H66A 109.3 . . ?
C65 C66 H66B 109.3 . . ?
C61 C66 H66B 109.3 . . ?
H66A C66 H66B 108.0 . . ?
C76_7 C71_7 C72_7 110.3(9) . . ?
C76_7 C71_7 P3 109.4(8) . . ?
C72_7 C71_7 P3 122.7(8) . . ?
C76_7 C71_7 H71_7 104.2 . . ?
C72_7 C71_7 H71_7 104.2 . . ?
P3 C71_7 H71_7 104.2 . . ?
C73_7 C72_7 C71_7 111.5(9) . . ?
C73_7 C72_7 H72A_7 109.3 . . ?
C71_7 C72_7 H72A_7 109.3 . . ?
C73_7 C72_7 H72B_7 109.3 . . ?
C71_7 C72_7 H72B_7 109.3 . . ?
H72A_7 C72_7 H72B_7 108.0 . . ?
C72_7 C73_7 C74_7 110.1(9) . . ?
C72_7 C73_7 H73A_7 109.6 . . ?
C74_7 C73_7 H73A_7 109.6 . . ?
C72_7 C73_7 H73B_7 109.6 . . ?
C74_7 C73_7 H73B_7 109.6 . . ?
H73A_7 C73_7 H73B_7 108.1 . . ?
C73_7 C74_7 C75_7 112.2(10) . . ?
C73_7 C74_7 H74A_7 109.2 . . ?
C75_7 C74_7 H74A_7 109.2 . . ?
C73_7 C74_7 H74B_7 109.2 . . ?
C75_7 C74_7 H74B_7 109.2 . . ?
H74A_7 C74_7 H74B_7 107.9 . . ?
C76_7 C75_7 C74_7 110.8(9) . . ?
C76_7 C75_7 H75A_7 109.5 . . ?
C74_7 C75_7 H75A_7 109.5 . . ?
C76_7 C75_7 H75B_7 109.5 . . ?
C74_7 C75_7 H75B_7 109.5 . . ?
H75A_7 C75_7 H75B_7 108.1 . . ?
C71_7 C76_7 C75_7 111.1(9) . . ?
C71_7 C76_7 H76A_7 109.4 . . ?
C75_7 C76_7 H76A_7 109.4 . . ?
C71_7 C76_7 H76B_7 109.4 . . ?
C75_7 C76_7 H76B_7 109.4 . . ?
H76A_7 C76_7 H76B_7 108.0 . . ?
C76A_8 C71A_8 C72A_8 110.3(11) . . ?
C76A_8 C71A_8 P3 121.5(9) . . ?
C72A_8 C71A_8 P3 111.6(8) . . ?
C76A_8 C71A_8 H71A_8 103.8 . . ?
C72A_8 C71A_8 H71A_8 103.8 . . ?
P3 C71A_8 H71A_8 103.8 . . ?
C71A_8 C72A_8 C73A_8 110.8(10) . . ?
C71A_8 C72A_8 H72A_8 109.5 . . ?
C73A_8 C72A_8 H72A_8 109.5 . . ?
C71A_8 C72A_8 H72B_8 109.5 . . ?
C73A_8 C72A_8 H72B_8 109.5 . . ?
H72A_8 C72A_8 H72B_8 108.1 . . ?
C74A_8 C73A_8 C72A_8 110.7(10) . . ?
C74A_8 C73A_8 H73A_8 109.5 . . ?
C72A_8 C73A_8 H73A_8 109.5 . . ?
C74A_8 C73A_8 H73B_8 109.5 . . ?
C72A_8 C73A_8 H73B_8 109.5 . . ?
H73A_8 C73A_8 H73B_8 108.1 . . ?
C73A_8 C74A_8 C75A_8 113.5(10) . . ?
C73A_8 C74A_8 H74A_8 108.9 . . ?
C75A_8 C74A_8 H74A_8 108.9 . . ?
C73A_8 C74A_8 H74B_8 108.9 . . ?
C75A_8 C74A_8 H74B_8 108.9 . . ?
H74A_8 C74A_8 H74B_8 107.7 . . ?
C76A_8 C75A_8 C74A_8 109.8(10) . . ?
C76A_8 C75A_8 H75A_8 109.7 . . ?
C74A_8 C75A_8 H75A_8 109.7 . . ?
C76A_8 C75A_8 H75B_8 109.7 . . ?
C74A_8 C75A_8 H75B_8 109.7 . . ?
H75A_8 C75A_8 H75B_8 108.2 . . ?
C71A_8 C76A_8 C75A_8 113.0(10) . . ?
C71A_8 C76A_8 H76A_8 109.0 . . ?
C75A_8 C76A_8 H76A_8 109.0 . . ?
C71A_8 C76A_8 H76B_8 109.0 . . ?
C75A_8 C76A_8 H76B_8 109.0 . . ?
H76A_8 C76A_8 H76B_8 107.8 . . ?
C86_9 C81_9 C82_9 110.1(5) . . ?
C86_9 C81_9 P3 114.1(4) . . ?
C82_9 C81_9 P3 109.0(4) . . ?
C86_9 C81_9 H81_9 107.8 . . ?
C82_9 C81_9 H81_9 107.8 . . ?
P3 C81_9 H81_9 107.8 . . ?
C83_9 C82_9 C81_9 112.6(5) . . ?
C83_9 C82_9 H82A_9 109.1 . . ?
C81_9 C82_9 H82A_9 109.1 . . ?
C83_9 C82_9 H82B_9 109.1 . . ?
C81_9 C82_9 H82B_9 109.1 . . ?
H82A_9 C82_9 H82B_9 107.8 . . ?
C84_9 C83_9 C82_9 111.0(5) . . ?
C84_9 C83_9 H83A_9 109.4 . . ?
C82_9 C83_9 H83A_9 109.4 . . ?
C84_9 C83_9 H83B_9 109.4 . . ?
C82_9 C83_9 H83B_9 109.4 . . ?
H83A_9 C83_9 H83B_9 108.0 . . ?
C85_9 C84_9 C83_9 110.5(5) . . ?
C85_9 C84_9 H84A_9 109.5 . . ?
C83_9 C84_9 H84A_9 109.5 . . ?
C85_9 C84_9 H84B_9 109.5 . . ?
C83_9 C84_9 H84B_9 109.5 . . ?
H84A_9 C84_9 H84B_9 108.1 . . ?
C84_9 C85_9 C86_9 112.8(5) . . ?
C84_9 C85_9 H85A_9 109.0 . . ?
C86_9 C85_9 H85A_9 109.0 . . ?
C84_9 C85_9 H85B_9 109.0 . . ?
C86_9 C85_9 H85B_9 109.0 . . ?
H85A_9 C85_9 H85B_9 107.8 . . ?
C81_9 C86_9 C85_9 111.3(5) . . ?
C81_9 C86_9 H86A_9 109.4 . . ?
C85_9 C86_9 H86A_9 109.4 . . ?
C81_9 C86_9 H86B_9 109.4 . . ?
C85_9 C86_9 H86B_9 109.4 . . ?
H86A_9 C86_9 H86B_9 108.0 . . ?
C96 C91 C92 110.3(5) . . ?
C96 C91 P3 119.7(4) . . ?
C92 C91 P3 111.1(4) . . ?
C96 C91 H91 104.8 . . ?
C92 C91 H91 104.8 . . ?
P3 C91 H91 104.8 . . ?
C93 C92 C91 110.6(6) . . ?
C93 C92 H92A 109.5 . . ?
C91 C92 H92A 109.5 . . ?
C93 C92 H92B 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 108.1 . . ?
C94 C93 C92 111.1(5) . . ?
C94 C93 H93A 109.4 . . ?
C92 C93 H93A 109.4 . . ?
C94 C93 H93B 109.4 . . ?
C92 C93 H93B 109.4 . . ?
H93A C93 H93B 108.0 . . ?
C95 C94 C93 112.1(5) . . ?
C95 C94 H94A 109.2 . . ?
C93 C94 H94A 109.2 . . ?
C95 C94 H94B 109.2 . . ?
C93 C94 H94B 109.2 . . ?
H94A C94 H94B 107.9 . . ?
C94 C95 C96 111.4(6) . . ?
C94 C95 H95A 109.3 . . ?
C96 C95 H95A 109.3 . . ?
C94 C95 H95B 109.3 . . ?
C96 C95 H95B 109.3 . . ?
H95A C95 H95B 108.0 . . ?
C91 C96 C95 109.7(5) . . ?
C91 C96 H96A 109.7 . . ?
C95 C96 H96A 109.7 . . ?
C91 C96 H96B 109.7 . . ?
C95 C96 H96B 109.7 . . ?
H96A C96 H96B 108.2 . . ?
C106 C101 C102 110.1(4) . . ?
C106 C101 P4 118.3(3) . . ?
C102 C101 P4 113.3(3) . . ?
C106 C101 H101 104.6 . . ?
C102 C101 H101 104.6 . . ?
P4 C101 H101 104.6 . . ?
C103 C102 C101 111.3(4) . . ?
C103 C102 H10A 109.4 . . ?
C101 C102 H10A 109.4 . . ?
C103 C102 H10B 109.4 . . ?
C101 C102 H10B 109.4 . . ?
H10A C102 H10B 108.0 . . ?
C104 C103 C102 111.9(4) . . ?
C104 C103 H10C 109.2 . . ?
C102 C103 H10C 109.2 . . ?
C104 C103 H10D 109.2 . . ?
C102 C103 H10D 109.2 . . ?
H10C C103 H10D 107.9 . . ?
C105 C104 C103 111.4(5) . . ?
C105 C104 H10E 109.3 . . ?
C103 C104 H10E 109.3 . . ?
C105 C104 H10F 109.3 . . ?
C103 C104 H10F 109.3 . . ?
H10E C104 H10F 108.0 . . ?
C104 C105 C106 111.0(4) . . ?
C104 C105 H10G 109.4 . . ?
C106 C105 H10G 109.4 . . ?
C104 C105 H10H 109.4 . . ?
C106 C105 H10H 109.4 . . ?
H10G C105 H10H 108.0 . . ?
C101 C106 C105 110.9(4) . . ?
C101 C106 H10I 109.5 . . ?
C105 C106 H10I 109.5 . . ?
C101 C106 H10J 109.5 . . ?
C105 C106 H10J 109.5 . . ?
H10I C106 H10J 108.0 . . ?
C116 C111 C112 110.7(4) . . ?
C116 C111 P4 112.4(3) . . ?
C112 C111 P4 117.5(4) . . ?
C116 C111 H111 105.0 . . ?
C112 C111 H111 105.0 . . ?
P4 C111 H111 105.0 . . ?
C113 C112 C111 110.9(5) . . ?
C113 C112 H11A 109.5 . . ?
C111 C112 H11A 109.5 . . ?
C113 C112 H11B 109.5 . . ?
C111 C112 H11B 109.5 . . ?
H11A C112 H11B 108.0 . . ?
C114 C113 C112 111.0(5) . . ?
C114 C113 H11C 109.4 . . ?
C112 C113 H11C 109.4 . . ?
C114 C113 H11D 109.4 . . ?
C112 C113 H11D 109.4 . . ?
H11C C113 H11D 108.0 . . ?
C113 C114 C115 111.2(5) . . ?
C113 C114 H11E 109.4 . . ?
C115 C114 H11E 109.4 . . ?
C113 C114 H11F 109.4 . . ?
C115 C114 H11F 109.4 . . ?
H11E C114 H11F 108.0 . . ?
C114 C115 C116 110.3(5) . . ?
C114 C115 H11G 109.6 . . ?
C116 C115 H11G 109.6 . . ?
C114 C115 H11H 109.6 . . ?
C116 C115 H11H 109.6 . . ?
H11G C115 H11H 108.1 . . ?
C111 C116 C115 110.7(4) . . ?
C111 C116 H11I 109.5 . . ?
C115 C116 H11I 109.5 . . ?
C111 C116 H11J 109.5 . . ?
C115 C116 H11J 109.5 . . ?
H11I C116 H11J 108.1 . . ?
C122 C121 C126 110.5(5) . . ?
C122 C121 P4 109.0(3) . . ?
C126 C121 P4 113.9(3) . . ?
C122 C121 H121 107.8 . . ?
C126 C121 H121 107.8 . . ?
P4 C121 H121 107.8 . . ?
C121 C122 C123 112.2(5) . . ?
C121 C122 H12C 109.2 . . ?
C123 C122 H12C 109.2 . . ?
C121 C122 H12D 109.2 . . ?
C123 C122 H12D 109.2 . . ?
H12C C122 H12D 107.9 . . ?
C124 C123 C122 110.6(5) . . ?
C124 C123 H12E 109.5 . . ?
C122 C123 H12E 109.5 . . ?
C124 C123 H12F 109.5 . . ?
C122 C123 H12F 109.5 . . ?
H12E C123 H12F 108.1 . . ?
C123 C124 C125 109.6(5) . . ?
C123 C124 H12G 109.8 . . ?
C125 C124 H12G 109.8 . . ?
C123 C124 H12H 109.8 . . ?
C125 C124 H12H 109.8 . . ?
H12G C124 H12H 108.2 . . ?
C126 C125 C124 112.1(6) . . ?
C126 C125 H12I 109.2 . . ?
C124 C125 H12I 109.2 . . ?
C126 C125 H12J 109.2 . . ?
C124 C125 H12J 109.2 . . ?
H12I C125 H12J 107.9 . . ?
C125 C126 C121 110.5(5) . . ?
C125 C126 H12K 109.6 . . ?
C121 C126 H12K 109.6 . . ?
C125 C126 H12L 109.6 . . ?
C121 C126 H12L 109.6 . . ?
H12K C126 H12L 108.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Pt1 P1 C31_3 -49.15(15) . . . . ?
Sn3 Pt1 P1 C31_3 154.96(10) . . . . ?
P2 Pt1 P1 C21A_2 -147.88(13) . . . . ?
Sn3 Pt1 P1 C21A_2 56.24(13) . . . . ?
P2 Pt1 P1 C11 81.6(2) . . . . ?
Sn3 Pt1 P1 C11 -74.30(17) . . . . ?
P2 Pt1 P1 C21_1 -163.14(15) . . . . ?
Sn3 Pt1 P1 C21_1 40.97(15) . . . . ?
P2 Pt1 P1 C31A_4 -28.84(14) . . . . ?
Sn3 Pt1 P1 C31A_4 175.28(8) . . . . ?
P1 Pt1 P2 C61 -52.74(19) . . . . ?
Sn3 Pt1 P2 C61 102.38(16) . . . . ?
P1 Pt1 P2 C41 -172.77(18) . . . . ?
Sn3 Pt1 P2 C41 -17.66(18) . . . . ?
P1 Pt1 P2 C51_5 56.61(14) . . . . ?
Sn3 Pt1 P2 C51_5 -148.28(10) . . . . ?
P1 Pt1 P2 C51A_6 68.66(14) . . . . ?
Sn3 Pt1 P2 C51A_6 -136.23(11) . . . . ?
P2 Pt1 Sn3 Pt2 125.52(4) . . . . ?
P1 Pt1 Sn3 Pt2 -66.91(4) . . . . ?
P2 Pt1 Sn3 Br4 -12.04(4) . . . . ?
P1 Pt1 Sn3 Br4 155.52(4) . . . . ?
P2 Pt1 Sn3 Br5 -102.25(3) . . . . ?
P1 Pt1 Sn3 Br5 65.31(4) . . . . ?
P4 Pt2 Sn3 Pt1 136.89(4) . . . . ?
P3 Pt2 Sn3 Pt1 -54.77(5) . . . . ?
P4 Pt2 Sn3 Br4 -82.28(4) . . . . ?
P3 Pt2 Sn3 Br4 86.06(5) . . . . ?
P4 Pt2 Sn3 Br5 9.27(4) . . . . ?
P3 Pt2 Sn3 Br5 177.61(5) . . . . ?
P4 Pt2 P3 C71_7 -44.7(5) . . . . ?
Sn3 Pt2 P3 C71_7 157.1(5) . . . . ?
P4 Pt2 P3 C81_9 62.5(2) . . . . ?
Sn3 Pt2 P3 C81_9 -95.7(2) . . . . ?
P4 Pt2 P3 C91 -177.2(2) . . . . ?
Sn3 Pt2 P3 C91 24.6(3) . . . . ?
P4 Pt2 P3 C71A_8 -53.8(4) . . . . ?
Sn3 Pt2 P3 C71A_8 148.0(4) . . . . ?
P3 Pt2 P4 C101 158.4(2) . . . . ?
Sn3 Pt2 P4 C101 -43.4(2) . . . . ?
P3 Pt2 P4 C121 -76.4(2) . . . . ?
Sn3 Pt2 P4 C121 81.80(17) . . . . ?
P3 Pt2 P4 C111 33.1(2) . . . . ?
Sn3 Pt2 P4 C111 -168.69(17) . . . . ?
C31_3 P1 C11 C12 -44.7(4) . . . . ?
C21A_2 P1 C11 C12 47.3(4) . . . . ?
C21_1 P1 C11 C12 75.7(4) . . . . ?
C31A_4 P1 C11 C12 -51.4(4) . . . . ?
Pt1 P1 C11 C12 -168.1(3) . . . . ?
C31_3 P1 C11 C16 84.7(4) . . . . ?
C21A_2 P1 C11 C16 176.7(3) . . . . ?
C21_1 P1 C11 C16 -154.9(4) . . . . ?
C31A_4 P1 C11 C16 78.1(4) . . . . ?
Pt1 P1 C11 C16 -38.7(4) . . . . ?
C16 C11 C12 C13 57.6(5) . . . . ?
P1 C11 C12 C13 -172.4(3) . . . . ?
C11 C12 C13 C14 -59.3(5) . . . . ?
C12 C13 C14 C15 56.9(5) . . . . ?
C13 C14 C15 C16 -53.9(5) . . . . ?
C12 C11 C16 C15 -55.1(6) . . . . ?
P1 C11 C16 C15 171.7(4) . . . . ?
C14 C15 C16 C11 53.5(6) . . . . ?
C31_3 P1 C21_1 C26_1 -36.89(14) . . . . ?
C21A_2 P1 C21_1 C26_1 -79.4(3) . . . . ?
C11 P1 C21_1 C26_1 -164.73(17) . . . . ?
C31A_4 P1 C21_1 C26_1 -52.12(16) . . . . ?
Pt1 P1 C21_1 C26_1 75.76(9) . . . . ?
C31_3 P1 C21_1 C22_1 89.72(13) . . . . ?
C21A_2 P1 C21_1 C22_1 47.2(3) . . . . ?
C11 P1 C21_1 C22_1 -38.1(2) . . . . ?
C31A_4 P1 C21_1 C22_1 74.48(15) . . . . ?
Pt1 P1 C21_1 C22_1 -157.64(4) . . . . ?
C26_1 C21_1 C22_1 C23_1 -60.3 . . . . ?
P1 C21_1 C22_1 C23_1 176.58(16) . . . . ?
C21_1 C22_1 C23_1 C24_1 62.4 . . . . ?
C22_1 C23_1 C24_1 C25_1 -62.4 . . . . ?
C23_1 C24_1 C25_1 C26_1 57.3 . . . . ?
C22_1 C21_1 C26_1 C25_1 54.9 . . . . ?
P1 C21_1 C26_1 C25_1 -178.44(16) . . . . ?
C24_1 C25_1 C26_1 C21_1 -53.3 . . . . ?
C31_3 P1 C21A_2 C22A_2 177.70(6) . . . . ?
C11 P1 C21A_2 C22A_2 58.88(18) . . . . ?
C21_1 P1 C21A_2 C22A_2 -42.6(3) . . . . ?
C31A_4 P1 C21A_2 C22A_2 160.52(6) . . . . ?
Pt1 P1 C21A_2 C22A_2 -75.14(12) . . . . ?
C31_3 P1 C21A_2 C26A_2 -64.49(11) . . . . ?
C11 P1 C21A_2 C26A_2 176.68(17) . . . . ?
C21_1 P1 C21A_2 C26A_2 75.2(3) . . . . ?
C31A_4 P1 C21A_2 C26A_2 -81.68(10) . . . . ?
Pt1 P1 C21A_2 C26A_2 42.67(13) . . . . ?
C26A_2 C21A_2 C22A_2 C23A_2 60.6 . . . . ?
P1 C21A_2 C22A_2 C23A_2 178.73(10) . . . . ?
C21A_2 C22A_2 C23A_2 C24A_2 -67.3 . . . . ?
C22A_2 C23A_2 C24A_2 C25A_2 64.7 . . . . ?
C23A_2 C24A_2 C25A_2 C26A_2 -56.7 . . . . ?
C22A_2 C21A_2 C26A_2 C25A_2 -55.8 . . . . ?
P1 C21A_2 C26A_2 C25A_2 -174.65(10) . . . . ?
C24A_2 C25A_2 C26A_2 C21A_2 52.5 . . . . ?
C21A_2 P1 C31_3 C32_3 -37.63(12) . . . . ?
C11 P1 C31_3 C32_3 63.4(2) . . . . ?
C21_1 P1 C31_3 C32_3 -56.12(17) . . . . ?
C31A_4 P1 C31_3 C32_3 82.89(6) . . . . ?
Pt1 P1 C31_3 C32_3 -169.98(3) . . . . ?
C21A_2 P1 C31_3 C36_3 -157.04(5) . . . . ?
C11 P1 C31_3 C36_3 -56.0(2) . . . . ?
C21_1 P1 C31_3 C36_3 -175.53(15) . . . . ?
C31A_4 P1 C31_3 C36_3 -36.5 . . . . ?
Pt1 P1 C31_3 C36_3 70.61(7) . . . . ?
C36_3 C31_3 C32_3 C33_3 -58.0 . . . . ?
P1 C31_3 C32_3 C33_3 -178.63(11) . . . . ?
C31_3 C32_3 C33_3 C34_3 57.6 . . . . ?
C32_3 C33_3 C34_3 C35_3 -57.2 . . . . ?
C33_3 C34_3 C35_3 C36_3 58.9 . . . . ?
C34_3 C35_3 C36_3 C31_3 -63.6 . . . . ?
C32_3 C31_3 C36_3 C35_3 63.7 . . . . ?
P1 C31_3 C36_3 C35_3 -171.74(11) . . . . ?
C31_3 P1 C31A_4 C32A_4 -76.22(10) . . . . ?
C21A_2 P1 C31A_4 C32A_4 -16.37(14) . . . . ?
C11 P1 C31A_4 C32A_4 86.58(17) . . . . ?
C21_1 P1 C31A_4 C32A_4 -28.84(19) . . . . ?
Pt1 P1 C31A_4 C32A_4 -155.35(4) . . . . ?
C31_3 P1 C31A_4 C36A_4 50.50(10) . . . . ?
C21A_2 P1 C31A_4 C36A_4 110.36(9) . . . . ?
C11 P1 C31A_4 C36A_4 -146.70(16) . . . . ?
C21_1 P1 C31A_4 C36A_4 97.88(18) . . . . ?
Pt1 P1 C31A_4 C36A_4 -28.63(7) . . . . ?
C36A_4 C31A_4 C32A_4 C33A_4 61.2 . . . . ?
P1 C31A_4 C32A_4 C33A_4 -172.76(9) . . . . ?
C31A_4 C32A_4 C33A_4 C34A_4 -61.0 . . . . ?
C32A_4 C33A_4 C34A_4 C35A_4 57.4 . . . . ?
C33A_4 C34A_4 C35A_4 C36A_4 -54.5 . . . . ?
C32A_4 C31A_4 C36A_4 C35A_4 -56.6 . . . . ?
P1 C31A_4 C36A_4 C35A_4 170.80(8) . . . . ?
C34A_4 C35A_4 C36A_4 C31A_4 54.3 . . . . ?
C61 P2 C41 C46 173.0(3) . . . . ?
C51_5 P2 C41 C46 63.7(4) . . . . ?
C51A_6 P2 C41 C46 62.6(3) . . . . ?
Pt1 P2 C41 C46 -64.5(4) . . . . ?
C61 P2 C41 C42 43.1(4) . . . . ?
C51_5 P2 C41 C42 -66.2(4) . . . . ?
C51A_6 P2 C41 C42 -67.3(4) . . . . ?
Pt1 P2 C41 C42 165.6(3) . . . . ?
C46 C41 C42 C43 57.3(5) . . . . ?
P2 C41 C42 C43 -171.7(3) . . . . ?
C41 C42 C43 C44 -57.5(5) . . . . ?
C42 C43 C44 C45 55.9(6) . . . . ?
C43 C44 C45 C46 -54.4(5) . . . . ?
C42 C41 C46 C45 -56.2(5) . . . . ?
P2 C41 C46 C45 170.0(3) . . . . ?
C44 C45 C46 C41 55.0(5) . . . . ?
C61 P2 C51_5 C56_5 171.89(17) . . . . ?
C41 P2 C51_5 C56_5 -78.40(18) . . . . ?
C51A_6 P2 C51_5 C56_5 -74.20(5) . . . . ?
Pt1 P2 C51_5 C56_5 58.28(8) . . . . ?
C61 P2 C51_5 C52_5 -39.87(19) . . . . ?
C41 P2 C51_5 C52_5 69.84(18) . . . . ?
C51A_6 P2 C51_5 C52_5 74.0 . . . . ?
Pt1 P2 C51_5 C52_5 -153.48(3) . . . . ?
C56_5 C51_5 C52_5 C53_5 -42.8 . . . . ?
P2 C51_5 C52_5 C53_5 171.73(11) . . . . ?
C51_5 C52_5 C53_5 C54_5 47.9 . . . . ?
C52_5 C53_5 C54_5 C55_5 -58.8 . . . . ?
C53_5 C54_5 C55_5 C56_5 61.9 . . . . ?
C52_5 C51_5 C56_5 C55_5 43.8 . . . . ?
P2 C51_5 C56_5 C55_5 -170.63(11) . . . . ?
C54_5 C55_5 C56_5 C51_5 -52.7 . . . . ?
C61 P2 C51A_6 C52A_6 -29.0(2) . . . . ?
C41 P2 C51A_6 C52A_6 77.30(16) . . . . ?
C51_5 P2 C51A_6 C52A_6 -98.77(6) . . . . ?
Pt1 P2 C51A_6 C52A_6 -150.63(4) . . . . ?
C61 P2 C51A_6 C56A_6 94.36(18) . . . . ?
C41 P2 C51A_6 C56A_6 -159.39(15) . . . . ?
C51_5 P2 C51A_6 C56A_6 24.5 . . . . ?
Pt1 P2 C51A_6 C56A_6 -27.32(8) . . . . ?
C56A_6 C51A_6 C52A_6 C53A_6 52.4 . . . . ?
P2 C51A_6 C52A_6 C53A_6 170.82(11) . . . . ?
C51A_6 C52A_6 C53A_6 C54A_6 -47.2 . . . . ?
C52A_6 C53A_6 C54A_6 C55A_6 45.2 . . . . ?
C53A_6 C54A_6 C55A_6 C56A_6 -50.3 . . . . ?
C54A_6 C55A_6 C56A_6 C51A_6 55.7 . . . . ?
C52A_6 C51A_6 C56A_6 C55A_6 -56.5 . . . . ?
P2 C51A_6 C56A_6 C55A_6 176.57(9) . . . . ?
C41 P2 C61 C66 -169.1(3) . . . . ?
C51_5 P2 C61 C66 -52.8(4) . . . . ?
C51A_6 P2 C61 C66 -67.0(4) . . . . ?
Pt1 P2 C61 C66 59.1(3) . . . . ?
C41 P2 C61 C62 65.3(4) . . . . ?
C51_5 P2 C61 C62 -178.4(3) . . . . ?
C51A_6 P2 C61 C62 167.4(3) . . . . ?
Pt1 P2 C61 C62 -66.5(4) . . . . ?
C66 C61 C62 C63 53.4(6) . . . . ?
P2 C61 C62 C63 -179.6(4) . . . . ?
C61 C62 C63 C64 -53.3(7) . . . . ?
C62 C63 C64 C65 54.2(7) . . . . ?
C63 C64 C65 C66 -55.5(6) . . . . ?
C64 C65 C66 C61 56.5(6) . . . . ?
C62 C61 C66 C65 -55.2(6) . . . . ?
P2 C61 C66 C65 179.1(3) . . . . ?
C81_9 P3 C71_7 C76_7 -171.1(8) . . . . ?
C91 P3 C71_7 C76_7 83.5(8) . . . . ?
C71A_8 P3 C71_7 C76_7 -17(2) . . . . ?
Pt2 P3 C71_7 C76_7 -53.8(9) . . . . ?
C81_9 P3 C71_7 C72_7 57.3(10) . . . . ?
C91 P3 C71_7 C72_7 -48.1(10) . . . . ?
C71A_8 P3 C71_7 C72_7 -149(3) . . . . ?
Pt2 P3 C71_7 C72_7 174.6(8) . . . . ?
C76_7 C71_7 C72_7 C73_7 58.6(12) . . . . ?
P3 C71_7 C72_7 C73_7 -170.2(9) . . . . ?
C71_7 C72_7 C73_7 C74_7 -56.4(12) . . . . ?
C72_7 C73_7 C74_7 C75_7 54.2(12) . . . . ?
C73_7 C74_7 C75_7 C76_7 -53.9(12) . . . . ?
C72_7 C71_7 C76_7 C75_7 -57.6(12) . . . . ?
P3 C71_7 C76_7 C75_7 164.6(8) . . . . ?
C74_7 C75_7 C76_7 C71_7 55.4(13) . . . . ?
C71_7 P3 C71A_8 C76A_8 163(4) . . . . ?
C81_9 P3 C71A_8 C76A_8 -169.5(9) . . . . ?
C91 P3 C71A_8 C76A_8 78.3(11) . . . . ?
Pt2 P3 C71A_8 C76A_8 -50.4(11) . . . . ?
C71_7 P3 C71A_8 C72A_8 30(2) . . . . ?
C81_9 P3 C71A_8 C72A_8 57.6(9) . . . . ?
C91 P3 C71A_8 C72A_8 -54.6(9) . . . . ?
Pt2 P3 C71A_8 C72A_8 176.6(8) . . . . ?
C76A_8 C71A_8 C72A_8 C73A_8 56.3(13) . . . . ?
P3 C71A_8 C72A_8 C73A_8 -165.4(9) . . . . ?
C71A_8 C72A_8 C73A_8 C74A_8 -54.8(13) . . . . ?
C72A_8 C73A_8 C74A_8 C75A_8 53.6(13) . . . . ?
C73A_8 C74A_8 C75A_8 C76A_8 -53.2(13) . . . . ?
C72A_8 C71A_8 C76A_8 C75A_8 -57.7(14) . . . . ?
P3 C71A_8 C76A_8 C75A_8 168.9(9) . . . . ?
C74A_8 C75A_8 C76A_8 C71A_8 54.8(14) . . . . ?
C71_7 P3 C81_9 C86_9 55.7(6) . . . . ?
C91 P3 C81_9 C86_9 166.0(4) . . . . ?
C71A_8 P3 C81_9 C86_9 48.7(6) . . . . ?
Pt2 P3 C81_9 C86_9 -64.7(4) . . . . ?
C71_7 P3 C81_9 C82_9 179.3(5) . . . . ?
C91 P3 C81_9 C82_9 -70.5(4) . . . . ?
C71A_8 P3 C81_9 C82_9 172.3(5) . . . . ?
Pt2 P3 C81_9 C82_9 58.8(4) . . . . ?
C86_9 C81_9 C82_9 C83_9 -55.3(6) . . . . ?
P3 C81_9 C82_9 C83_9 178.8(4) . . . . ?
C81_9 C82_9 C83_9 C84_9 56.5(6) . . . . ?
C82_9 C83_9 C84_9 C85_9 -55.0(7) . . . . ?
C83_9 C84_9 C85_9 C86_9 54.9(7) . . . . ?
C82_9 C81_9 C86_9 C85_9 53.5(6) . . . . ?
P3 C81_9 C86_9 C85_9 176.5(4) . . . . ?
C84_9 C85_9 C86_9 C81_9 -54.7(7) . . . . ?
C71_7 P3 C91 C96 70.2(7) . . . . ?
C81_9 P3 C91 C96 -29.4(5) . . . . ?
C71A_8 P3 C91 C96 86.0(7) . . . . ?
Pt2 P3 C91 C96 -154.2(4) . . . . ?
C71_7 P3 C91 C92 -60.2(6) . . . . ?
C81_9 P3 C91 C92 -159.8(4) . . . . ?
C71A_8 P3 C91 C92 -44.3(6) . . . . ?
Pt2 P3 C91 C92 75.4(4) . . . . ?
C96 C91 C92 C93 58.0(6) . . . . ?
P3 C91 C92 C93 -166.9(4) . . . . ?
C91 C92 C93 C94 -55.7(7) . . . . ?
C92 C93 C94 C95 54.8(8) . . . . ?
C93 C94 C95 C96 -55.2(7) . . . . ?
C92 C91 C96 C95 -57.7(7) . . . . ?
P3 C91 C96 C95 171.6(4) . . . . ?
C94 C95 C96 C91 56.6(7) . . . . ?
C121 P4 C101 C106 58.4(4) . . . . ?
C111 P4 C101 C106 -49.0(4) . . . . ?
Pt2 P4 C101 C106 -173.0(3) . . . . ?
C121 P4 C101 C102 -170.6(4) . . . . ?
C111 P4 C101 C102 82.0(4) . . . . ?
Pt2 P4 C101 C102 -42.0(5) . . . . ?
C106 C101 C102 C103 -55.7(6) . . . . ?
P4 C101 C102 C103 169.4(4) . . . . ?
C101 C102 C103 C104 54.7(7) . . . . ?
C102 C103 C104 C105 -54.5(6) . . . . ?
C103 C104 C105 C106 55.5(6) . . . . ?
C102 C101 C106 C105 56.9(5) . . . . ?
P4 C101 C106 C105 -170.7(4) . . . . ?
C104 C105 C106 C101 -57.2(6) . . . . ?
C101 P4 C111 C116 -57.9(4) . . . . ?
C121 P4 C111 C116 -167.1(4) . . . . ?
Pt2 P4 C111 C116 75.9(4) . . . . ?
C101 P4 C111 C112 72.2(4) . . . . ?
C121 P4 C111 C112 -36.9(4) . . . . ?
Pt2 P4 C111 C112 -153.9(4) . . . . ?
C116 C111 C112 C113 -55.8(6) . . . . ?
P4 C111 C112 C113 173.3(4) . . . . ?
C111 C112 C113 C114 55.7(6) . . . . ?
C112 C113 C114 C115 -56.7(6) . . . . ?
C113 C114 C115 C116 57.4(6) . . . . ?
C112 C111 C116 C115 56.7(6) . . . . ?
P4 C111 C116 C115 -169.8(4) . . . . ?
C114 C115 C116 C111 -57.3(6) . . . . ?
C101 P4 C121 C122 178.5(3) . . . . ?
C111 P4 C121 C122 -68.8(4) . . . . ?
Pt2 P4 C121 C122 43.4(4) . . . . ?
C101 P4 C121 C126 54.7(4) . . . . ?
C111 P4 C121 C126 167.4(4) . . . . ?
Pt2 P4 C121 C126 -80.4(4) . . . . ?
C126 C121 C122 C123 -55.3(6) . . . . ?
P4 C121 C122 C123 178.9(4) . . . . ?
C121 C122 C123 C124 57.8(7) . . . . ?
C122 C123 C124 C125 -57.5(7) . . . . ?
C123 C124 C125 C126 57.7(6) . . . . ?
C124 C125 C126 C121 -55.8(6) . . . . ?
C122 C121 C126 C125 53.6(6) . . . . ?
P4 C121 C126 C125 176.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.570
_refine_diff_density_min         -1.746
_refine_diff_density_rms         0.146


loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.154 0.902 0.897 12 1 ' '
2 0.298 0.545 0.738 9 1 ' '
3 0.701 0.454 0.262 9 1 ' '
4 0.846 0.098 0.103 12 1 ' '
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 1023364'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_7a



_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H66 Al Br5 P2 Pt Sn'

_chemical_formula_sum            'C36 H66 Al Br5 P2 Pt Sn'
_chemical_formula_weight         1301.13

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'
Al Al 0.0645 0.0514 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.5394(6)
_cell_length_b                   12.4690(7)
_cell_length_c                   17.7000(10)
_cell_angle_alpha                105.191(2)
_cell_angle_beta                 100.053(2)
_cell_angle_gamma                107.994(2)
_cell_volume                     2245.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_F_000             1256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    8.232
_shelx_estimated_absorpt_T_min   0.243
_shelx_estimated_absorpt_T_max   0.319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1768
_exptl_absorpt_correction_T_max  0.2607
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
  The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            ?
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         2.105
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9176
_reflns_number_gt                8321
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
  Data were apparently pre-merged, so _diffrn_reflns_number
  etc. will have to be added later.

  Reflections were merged by SHELXL according to the crystal
  class for the calculation of statistics and refinement.

  _reflns_Friedel_fraction is defined as the number of unique
  Friedel pairs measured divided by the number that would be
  possible theoretically, ignoring centric projections and
  systematic absences.
;

_computing_data_collection       'APEX2 ver. 2012.4-3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.18C (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.18C (Bruker AXS)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
  ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0400P)²+11.7138P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9176
_refine_ls_number_parameters     415
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0824
_refine_ls_wR_factor_gt          0.0805
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.000
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.29248(2) 0.16856(2) 0.22886(2) 0.01095(6) Uani 1 1 d . . . . .
Sn1 Sn 0.36828(3) -0.00263(3) 0.18857(2) 0.01509(8) Uani 1 1 d . . . . .
Br1 Br 0.15060(5) -0.16398(5) 0.10323(3) 0.02806(13) Uani 1 1 d . . . . .
P1 P 0.33093(11) 0.24799(11) 0.12695(7) 0.0122(2) Uani 1 1 d . . . . .
Al1 Al 0.56309(14) 0.80431(13) 0.26863(9) 0.0182(3) Uani 1 1 d . . . . .
P2 P 0.25470(10) 0.14831(10) 0.34871(7) 0.0105(2) Uani 1 1 d . . . . .
Br5 Br 0.52454(7) 0.71807(6) 0.13194(3) 0.03832(15) Uani 1 1 d . . . . .
Br6 Br 0.71221(5) 0.99465(5) 0.31362(4) 0.03361(14) Uani 1 1 d . . . . .
Br7 Br 0.37501(5) 0.81332(5) 0.28994(4) 0.03036(13) Uani 1 1 d . . . . .
Br8 Br 0.61757(6) 0.68837(6) 0.33668(4) 0.03364(14) Uani 1 1 d . . . . .
C11 C 0.2910(4) 0.1501(4) 0.0200(3) 0.0121(9) Uani 1 1 d . . . . .
H11 H 0.3107 0.2031 -0.0136 0.015 Uiso 1 1 calc R U . . .
C12 C 0.1476(4) 0.0743(4) -0.0116(3) 0.0152(9) Uani 1 1 d . . . . .
H12A H 0.1243 0.0239 0.0224 0.018 Uiso 1 1 calc R U . . .
H12B H 0.0995 0.1279 -0.0069 0.018 Uiso 1 1 calc R U . . .
C13 C 0.1117(5) -0.0059(5) -0.1005(3) 0.0222(11) Uani 1 1 d . . . . .
H13A H 0.0199 -0.0553 -0.1187 0.027 Uiso 1 1 calc R U . . .
H13B H 0.1287 0.0447 -0.1351 0.027 Uiso 1 1 calc R U . . .
C14 C 0.1869(5) -0.0876(5) -0.1110(3) 0.0245(11) Uani 1 1 d . . . . .
H14A H 0.1637 -0.1369 -0.1692 0.029 Uiso 1 1 calc R U . . .
H14B H 0.1657 -0.1423 -0.0795 0.029 Uiso 1 1 calc R U . . .
C15 C 0.3292(5) -0.0126(5) -0.0814(3) 0.0219(11) Uani 1 1 d . . . . .
H15A H 0.3512 0.0365 -0.1163 0.026 Uiso 1 1 calc R U . . .
H15B H 0.3770 -0.0665 -0.0861 0.026 Uiso 1 1 calc R U . . .
C16 C 0.3680(5) 0.0703(4) 0.0081(3) 0.0177(10) Uani 1 1 d . . . . .
H16A H 0.3551 0.0209 0.0438 0.021 Uiso 1 1 calc R U . . .
H16B H 0.4593 0.1211 0.0244 0.021 Uiso 1 1 calc R U . . .
C21 C 0.4971(5) 0.3565(5) 0.1577(3) 0.0207(10) Uani 1 1 d . . . . .
H21 H 0.4987 0.4323 0.1958 0.025 Uiso 1 1 calc R U . . .
C22 C 0.5886(5) 0.3176(5) 0.2063(4) 0.0269(12) Uani 1 1 d . . . . .
H22A H 0.5906 0.2426 0.1709 0.032 Uiso 1 1 calc R U . . .
H22B H 0.5572 0.3005 0.2521 0.032 Uiso 1 1 calc R U . . .
C23 C 0.7225(5) 0.4117(5) 0.2400(4) 0.0301(13) Uani 1 1 d . . . . .
H23A H 0.7795 0.3806 0.2684 0.036 Uiso 1 1 calc R U . . .
H23B H 0.7230 0.4845 0.2798 0.036 Uiso 1 1 calc R U . . .
C24 C 0.7698(5) 0.4430(6) 0.1697(4) 0.0377(15) Uani 1 1 d . . . . .
H24A H 0.8552 0.5072 0.1920 0.045 Uiso 1 1 calc R U . . .
H24B H 0.7770 0.3717 0.1331 0.045 Uiso 1 1 calc R U . . .
C25 C 0.6821(5) 0.4836(6) 0.1217(4) 0.0346(14) Uani 1 1 d . . . . .
H25A H 0.7136 0.4993 0.0756 0.041 Uiso 1 1 calc R U . . .
H25B H 0.6816 0.5595 0.1570 0.041 Uiso 1 1 calc R U . . .
C26 C 0.5466(5) 0.3898(5) 0.0887(3) 0.0229(11) Uani 1 1 d . . . . .
H26A H 0.5452 0.3171 0.0483 0.027 Uiso 1 1 calc R U . . .
H26B H 0.4902 0.4219 0.0608 0.027 Uiso 1 1 calc R U . . .
C31 C 0.2274(5) 0.3357(4) 0.1220(3) 0.0187(10) Uani 1 1 d . . . . .
H31 H 0.1392 0.2772 0.1106 0.022 Uiso 1 1 calc R U . . .
C32 C 0.2225(5) 0.3902(5) 0.0540(3) 0.0204(10) Uani 1 1 d . . . . .
H32A H 0.2044 0.3277 0.0010 0.024 Uiso 1 1 calc R U . . .
H32B H 0.3057 0.4538 0.0638 0.024 Uiso 1 1 calc R U . . .
C33 C 0.1184(5) 0.4437(5) 0.0512(4) 0.0264(12) Uani 1 1 d . . . . .
H33A H 0.1185 0.4816 0.0086 0.032 Uiso 1 1 calc R U . . .
H33B H 0.0345 0.3785 0.0364 0.032 Uiso 1 1 calc R U . . .
C34 C 0.1378(5) 0.5350(5) 0.1314(4) 0.0261(12) Uani 1 1 d . . . . .
H34A H 0.0657 0.5622 0.1284 0.031 Uiso 1 1 calc R U . . .
H34B H 0.2162 0.6053 0.1428 0.031 Uiso 1 1 calc R U . . .
C35 C 0.1486(5) 0.4842(5) 0.2006(3) 0.0242(11) Uani 1 1 d . . . . .
H35A H 0.0663 0.4208 0.1929 0.029 Uiso 1 1 calc R U . . .
H35B H 0.1679 0.5485 0.2530 0.029 Uiso 1 1 calc R U . . .
C36 C 0.2522(5) 0.4319(5) 0.2041(3) 0.0230(11) Uani 1 1 d . . . . .
H36A H 0.2539 0.3961 0.2478 0.028 Uiso 1 1 calc R U . . .
H36B H 0.3359 0.4965 0.2169 0.028 Uiso 1 1 calc R U . . .
C41 C 0.4016(4) 0.2062(4) 0.4334(3) 0.0137(9) Uani 1 1 d . . . . .
H41 H 0.3764 0.2005 0.4839 0.016 Uiso 1 1 calc R U . . .
C42 C 0.4809(5) 0.3378(5) 0.4494(4) 0.0301(14) Uani 1 1 d . . . . .
H42A H 0.5019 0.3468 0.3989 0.036 Uiso 1 1 calc R U . . .
H42B H 0.4306 0.3874 0.4646 0.036 Uiso 1 1 calc R U . . .
C43 C 0.6029(5) 0.3817(5) 0.5175(4) 0.0352(15) Uani 1 1 d . . . . .
H43A H 0.6542 0.4654 0.5243 0.042 Uiso 1 1 calc R U . . .
H43B H 0.5816 0.3812 0.5692 0.042 Uiso 1 1 calc R U . . .
C44 C 0.6810(5) 0.3045(5) 0.5001(4) 0.0260(12) Uani 1 1 d . . . . .
H44A H 0.7098 0.3109 0.4514 0.031 Uiso 1 1 calc R U . . .
H44B H 0.7570 0.3333 0.5469 0.031 Uiso 1 1 calc R U . . .
C45 C 0.6028(5) 0.1754(5) 0.4858(3) 0.0226(11) Uani 1 1 d . . . . .
H45A H 0.5813 0.1681 0.5364 0.027 Uiso 1 1 calc R U . . .
H45B H 0.6531 0.1255 0.4717 0.027 Uiso 1 1 calc R U . . .
C46 C 0.4811(5) 0.1301(4) 0.4170(3) 0.0185(10) Uani 1 1 d . . . . .
H46A H 0.5029 0.1305 0.3654 0.022 Uiso 1 1 calc R U . . .
H46B H 0.4304 0.0463 0.4104 0.022 Uiso 1 1 calc R U . . .
C51 C 0.1676(4) -0.0044(4) 0.3465(3) 0.0138(9) Uani 1 1 d . . . . .
H51 H 0.2138 -0.0540 0.3219 0.017 Uiso 1 1 calc R U . . .
C52 C 0.0335(4) -0.0587(5) 0.2875(3) 0.0200(10) Uani 1 1 d . . . . .
H52A H -0.0196 -0.0168 0.3099 0.024 Uiso 1 1 calc R U . . .
H52B H 0.0380 -0.0478 0.2345 0.024 Uiso 1 1 calc R U . . .
C53 C -0.0268(5) -0.1922(5) 0.2747(4) 0.0301(13) Uani 1 1 d . . . . .
H53A H -0.1146 -0.2249 0.2388 0.036 Uiso 1 1 calc R U . . .
H53B H 0.0219 -0.2350 0.2473 0.036 Uiso 1 1 calc R U . . .
C54 C -0.0291(5) -0.2134(5) 0.3548(4) 0.0317(14) Uani 1 1 d . . . . .
H54A H -0.0642 -0.3007 0.3447 0.038 Uiso 1 1 calc R U . . .
H54B H -0.0852 -0.1779 0.3794 0.038 Uiso 1 1 calc R U . . .
C55 C 0.1040(5) -0.1583(5) 0.4141(3) 0.0218(11) Uani 1 1 d . . . . .
H55A H 0.1581 -0.1991 0.3919 0.026 Uiso 1 1 calc R U . . .
H55B H 0.0991 -0.1702 0.4668 0.026 Uiso 1 1 calc R U . . .
C56 C 0.1638(5) -0.0238(4) 0.4280(3) 0.0189(10) Uani 1 1 d . . . . .
H56A H 0.1135 0.0182 0.4541 0.023 Uiso 1 1 calc R U . . .
H56B H 0.2510 0.0099 0.4648 0.023 Uiso 1 1 calc R U . . .
C61 C 0.1703(4) 0.2498(4) 0.3793(3) 0.0143(9) Uani 1 1 d . . . . .
H61 H 0.2334 0.3321 0.3910 0.017 Uiso 1 1 calc R U . . .
C62 C 0.0593(5) 0.2344(5) 0.3102(3) 0.0205(10) Uani 1 1 d . . . . .
H62A H 0.0870 0.2340 0.2603 0.025 Uiso 1 1 calc R U . . .
H62B H -0.0107 0.1569 0.2981 0.025 Uiso 1 1 calc R U . . .
C63 C 0.0125(5) 0.3371(5) 0.3352(3) 0.0244(11) Uani 1 1 d . . . . .
H63A H 0.0809 0.4138 0.3434 0.029 Uiso 1 1 calc R U . . .
H63B H -0.0607 0.3254 0.2910 0.029 Uiso 1 1 calc R U . . .
C64 C -0.0269(5) 0.3433(5) 0.4134(4) 0.0261(12) Uani 1 1 d . . . . .
H64A H -0.1008 0.2699 0.4037 0.031 Uiso 1 1 calc R U . . .
H64B H -0.0529 0.4128 0.4293 0.031 Uiso 1 1 calc R U . . .
C65 C 0.0810(5) 0.3557(4) 0.4822(3) 0.0218(11) Uani 1 1 d . . . . .
H65A H 0.0508 0.3538 0.5310 0.026 Uiso 1 1 calc R U . . .
H65B H 0.1510 0.4338 0.4964 0.026 Uiso 1 1 calc R U . . .
C66 C 0.1309(5) 0.2543(5) 0.4579(3) 0.0201(10) Uani 1 1 d . . . . .
H66A H 0.2046 0.2676 0.5023 0.024 Uiso 1 1 calc R U . . .
H66B H 0.0639 0.1768 0.4498 0.024 Uiso 1 1 calc R U . . .


_geom_special_details            
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P2 2.2999(12) . ?
Pt1 P1 2.3186(12) . ?
Pt1 Sn1 2.5307(4) . ?
Sn1 Br1 2.5690(6) . ?
P1 C11 1.851(5) . ?
P1 C21 1.858(5) . ?
P1 C31 1.858(5) . ?
Al1 Br8 2.2685(17) . ?
Al1 Br5 2.2745(16) . ?
Al1 Br6 2.2882(16) . ?
Al1 Br7 2.2977(16) . ?
P2 C51 1.844(5) . ?
P2 C41 1.852(5) . ?
P2 C61 1.852(5) . ?
C11 C16 1.525(6) . ?
C11 C12 1.542(6) . ?
C11 H11 1.0000 . ?
C12 C13 1.530(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.526(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.529(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.544(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C22 1.518(7) . ?
C21 C26 1.534(7) . ?
C21 H21 1.0000 . ?
C22 C23 1.520(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.536(9) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.497(9) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.532(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C32 1.530(7) . ?
C31 C36 1.537(7) . ?
C31 H31 1.0000 . ?
C32 C33 1.543(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.498(8) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.522(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.529(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C46 1.520(6) . ?
C41 C42 1.533(7) . ?
C41 H41 1.0000 . ?
C42 C43 1.524(8) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.521(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.509(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.525(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C56 1.530(7) . ?
C51 C52 1.536(6) . ?
C51 H51 1.0000 . ?
C52 C53 1.528(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.511(8) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.530(7) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.536(7) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C66 1.530(7) . ?
C61 C62 1.534(7) . ?
C61 H61 1.0000 . ?
C62 C63 1.530(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.520(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.521(8) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.537(7) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pt1 P1 162.07(4) . . ?
P2 Pt1 Sn1 98.03(3) . . ?
P1 Pt1 Sn1 98.90(3) . . ?
Pt1 Sn1 Br1 96.702(18) . . ?
C11 P1 C21 109.1(2) . . ?
C11 P1 C31 103.4(2) . . ?
C21 P1 C31 106.7(2) . . ?
C11 P1 Pt1 121.29(15) . . ?
C21 P1 Pt1 110.32(17) . . ?
C31 P1 Pt1 104.76(16) . . ?
Br8 Al1 Br5 110.98(7) . . ?
Br8 Al1 Br6 112.41(7) . . ?
Br5 Al1 Br6 110.57(7) . . ?
Br8 Al1 Br7 107.20(7) . . ?
Br5 Al1 Br7 106.49(6) . . ?
Br6 Al1 Br7 108.93(6) . . ?
C51 P2 C41 105.0(2) . . ?
C51 P2 C61 111.6(2) . . ?
C41 P2 C61 104.8(2) . . ?
C51 P2 Pt1 117.00(16) . . ?
C41 P2 Pt1 113.09(15) . . ?
C61 P2 Pt1 104.71(16) . . ?
C16 C11 C12 110.7(4) . . ?
C16 C11 P1 113.2(3) . . ?
C12 C11 P1 110.0(3) . . ?
C16 C11 H11 107.6 . . ?
C12 C11 H11 107.6 . . ?
P1 C11 H11 107.6 . . ?
C13 C12 C11 111.0(4) . . ?
C13 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 111.2(4) . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C15 110.0(4) . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14B 109.7 . . ?
C15 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C16 111.3(4) . . ?
C14 C15 H15A 109.4 . . ?
C16 C15 H15A 109.4 . . ?
C14 C15 H15B 109.4 . . ?
C16 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C11 C16 C15 111.6(4) . . ?
C11 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C11 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C22 C21 C26 110.3(4) . . ?
C22 C21 P1 112.0(4) . . ?
C26 C21 P1 115.7(4) . . ?
C22 C21 H21 106.0 . . ?
C26 C21 H21 106.0 . . ?
P1 C21 H21 106.0 . . ?
C21 C22 C23 112.8(5) . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C23 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C22 C23 C24 109.4(5) . . ?
C22 C23 H23A 109.8 . . ?
C24 C23 H23A 109.8 . . ?
C22 C23 H23B 109.8 . . ?
C24 C23 H23B 109.8 . . ?
H23A C23 H23B 108.2 . . ?
C25 C24 C23 111.7(5) . . ?
C25 C24 H24A 109.3 . . ?
C23 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C24 C25 C26 111.7(5) . . ?
C24 C25 H25A 109.3 . . ?
C26 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
C26 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
C25 C26 C21 111.1(5) . . ?
C25 C26 H26A 109.4 . . ?
C21 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C21 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C32 C31 C36 109.8(4) . . ?
C32 C31 P1 117.1(4) . . ?
C36 C31 P1 112.8(3) . . ?
C32 C31 H31 105.4 . . ?
C36 C31 H31 105.4 . . ?
P1 C31 H31 105.4 . . ?
C31 C32 C33 110.0(4) . . ?
C31 C32 H32A 109.7 . . ?
C33 C32 H32A 109.7 . . ?
C31 C32 H32B 109.7 . . ?
C33 C32 H32B 109.7 . . ?
H32A C32 H32B 108.2 . . ?
C34 C33 C32 111.9(4) . . ?
C34 C33 H33A 109.2 . . ?
C32 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
C32 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C33 C34 C35 111.5(4) . . ?
C33 C34 H34A 109.3 . . ?
C35 C34 H34A 109.3 . . ?
C33 C34 H34B 109.3 . . ?
C35 C34 H34B 109.3 . . ?
H34A C34 H34B 108.0 . . ?
C34 C35 C36 111.6(5) . . ?
C34 C35 H35A 109.3 . . ?
C36 C35 H35A 109.3 . . ?
C34 C35 H35B 109.3 . . ?
C36 C35 H35B 109.3 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C31 110.2(4) . . ?
C35 C36 H36A 109.6 . . ?
C31 C36 H36A 109.6 . . ?
C35 C36 H36B 109.6 . . ?
C31 C36 H36B 109.6 . . ?
H36A C36 H36B 108.1 . . ?
C46 C41 C42 110.2(4) . . ?
C46 C41 P2 110.8(3) . . ?
C42 C41 P2 112.2(3) . . ?
C46 C41 H41 107.8 . . ?
C42 C41 H41 107.8 . . ?
P2 C41 H41 107.8 . . ?
C43 C42 C41 111.0(5) . . ?
C43 C42 H42A 109.4 . . ?
C41 C42 H42A 109.4 . . ?
C43 C42 H42B 109.4 . . ?
C41 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
C44 C43 C42 112.1(5) . . ?
C44 C43 H43A 109.2 . . ?
C42 C43 H43A 109.2 . . ?
C44 C43 H43B 109.2 . . ?
C42 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?
C45 C44 C43 110.2(4) . . ?
C45 C44 H44A 109.6 . . ?
C43 C44 H44A 109.6 . . ?
C45 C44 H44B 109.6 . . ?
C43 C44 H44B 109.6 . . ?
H44A C44 H44B 108.1 . . ?
C44 C45 C46 111.1(4) . . ?
C44 C45 H45A 109.4 . . ?
C46 C45 H45A 109.4 . . ?
C44 C45 H45B 109.4 . . ?
C46 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C41 C46 C45 112.1(4) . . ?
C41 C46 H46A 109.2 . . ?
C45 C46 H46A 109.2 . . ?
C41 C46 H46B 109.2 . . ?
C45 C46 H46B 109.2 . . ?
H46A C46 H46B 107.9 . . ?
C56 C51 C52 110.6(4) . . ?
C56 C51 P2 117.8(3) . . ?
C52 C51 P2 111.6(3) . . ?
C56 C51 H51 105.2 . . ?
C52 C51 H51 105.2 . . ?
P2 C51 H51 105.2 . . ?
C53 C52 C51 110.3(4) . . ?
C53 C52 H52A 109.6 . . ?
C51 C52 H52A 109.6 . . ?
C53 C52 H52B 109.6 . . ?
C51 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
C54 C53 C52 111.4(5) . . ?
C54 C53 H53A 109.4 . . ?
C52 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C53 C54 C55 111.3(4) . . ?
C53 C54 H54A 109.4 . . ?
C55 C54 H54A 109.4 . . ?
C53 C54 H54B 109.4 . . ?
C55 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?
C54 C55 C56 110.7(4) . . ?
C54 C55 H55A 109.5 . . ?
C56 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
C56 C55 H55B 109.5 . . ?
H55A C55 H55B 108.1 . . ?
C51 C56 C55 109.9(4) . . ?
C51 C56 H56A 109.7 . . ?
C55 C56 H56A 109.7 . . ?
C51 C56 H56B 109.7 . . ?
C55 C56 H56B 109.7 . . ?
H56A C56 H56B 108.2 . . ?
C66 C61 C62 110.8(4) . . ?
C66 C61 P2 116.7(3) . . ?
C62 C61 P2 113.5(3) . . ?
C66 C61 H61 104.9 . . ?
C62 C61 H61 104.9 . . ?
P2 C61 H61 104.9 . . ?
C63 C62 C61 109.8(4) . . ?
C63 C62 H62A 109.7 . . ?
C61 C62 H62A 109.7 . . ?
C63 C62 H62B 109.7 . . ?
C61 C62 H62B 109.7 . . ?
H62A C62 H62B 108.2 . . ?
C64 C63 C62 111.3(5) . . ?
C64 C63 H63A 109.4 . . ?
C62 C63 H63A 109.4 . . ?
C64 C63 H63B 109.4 . . ?
C62 C63 H63B 109.4 . . ?
H63A C63 H63B 108.0 . . ?
C63 C64 C65 111.2(4) . . ?
C63 C64 H64A 109.4 . . ?
C65 C64 H64A 109.4 . . ?
C63 C64 H64B 109.4 . . ?
C65 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C64 C65 C66 111.3(4) . . ?
C64 C65 H65A 109.4 . . ?
C66 C65 H65A 109.4 . . ?
C64 C65 H65B 109.4 . . ?
C66 C65 H65B 109.4 . . ?
H65A C65 H65B 108.0 . . ?
C61 C66 C65 110.5(4) . . ?
C61 C66 H66A 109.5 . . ?
C65 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 108.1 . . ?

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
C21 P1 C11 C16 65.3(4) . . . . ?
C31 P1 C11 C16 178.5(3) . . . . ?
Pt1 P1 C11 C16 -64.6(4) . . . . ?
C21 P1 C11 C12 -170.3(3) . . . . ?
C31 P1 C11 C12 -57.0(4) . . . . ?
Pt1 P1 C11 C12 59.8(3) . . . . ?
C16 C11 C12 C13 -55.1(5) . . . . ?
P1 C11 C12 C13 179.0(3) . . . . ?
C11 C12 C13 C14 57.3(6) . . . . ?
C12 C13 C14 C15 -57.8(6) . . . . ?
C13 C14 C15 C16 56.5(6) . . . . ?
C12 C11 C16 C15 54.2(5) . . . . ?
P1 C11 C16 C15 178.3(3) . . . . ?
C14 C15 C16 C11 -55.5(6) . . . . ?
C11 P1 C21 C22 -99.3(4) . . . . ?
C31 P1 C21 C22 149.6(4) . . . . ?
Pt1 P1 C21 C22 36.3(4) . . . . ?
C11 P1 C21 C26 28.3(5) . . . . ?
C31 P1 C21 C26 -82.8(4) . . . . ?
Pt1 P1 C21 C26 164.0(3) . . . . ?
C26 C21 C22 C23 55.9(6) . . . . ?
P1 C21 C22 C23 -173.6(4) . . . . ?
C21 C22 C23 C24 -56.3(6) . . . . ?
C22 C23 C24 C25 56.1(7) . . . . ?
C23 C24 C25 C26 -56.4(7) . . . . ?
C24 C25 C26 C21 55.2(7) . . . . ?
C22 C21 C26 C25 -54.0(6) . . . . ?
P1 C21 C26 C25 177.5(4) . . . . ?
C11 P1 C31 C32 -46.5(4) . . . . ?
C21 P1 C31 C32 68.6(4) . . . . ?
Pt1 P1 C31 C32 -174.5(3) . . . . ?
C11 P1 C31 C36 -175.3(4) . . . . ?
C21 P1 C31 C36 -60.3(4) . . . . ?
Pt1 P1 C31 C36 56.7(4) . . . . ?
C36 C31 C32 C33 -57.9(5) . . . . ?
P1 C31 C32 C33 171.8(4) . . . . ?
C31 C32 C33 C34 56.6(6) . . . . ?
C32 C33 C34 C35 -54.5(6) . . . . ?
C33 C34 C35 C36 54.7(6) . . . . ?
C34 C35 C36 C31 -56.4(6) . . . . ?
C32 C31 C36 C35 58.3(6) . . . . ?
P1 C31 C36 C35 -169.2(4) . . . . ?
C51 P2 C41 C46 61.7(4) . . . . ?
C61 P2 C41 C46 179.4(3) . . . . ?
Pt1 P2 C41 C46 -67.1(4) . . . . ?
C51 P2 C41 C42 -174.7(4) . . . . ?
C61 P2 C41 C42 -56.9(4) . . . . ?
Pt1 P2 C41 C42 56.6(4) . . . . ?
C46 C41 C42 C43 -54.2(6) . . . . ?
P2 C41 C42 C43 -178.3(4) . . . . ?
C41 C42 C43 C44 55.7(7) . . . . ?
C42 C43 C44 C45 -56.3(7) . . . . ?
C43 C44 C45 C46 56.1(6) . . . . ?
C42 C41 C46 C45 55.2(6) . . . . ?
P2 C41 C46 C45 -180.0(4) . . . . ?
C44 C45 C46 C41 -56.8(6) . . . . ?
C41 P2 C51 C56 42.0(4) . . . . ?
C61 P2 C51 C56 -71.1(4) . . . . ?
Pt1 P2 C51 C56 168.3(3) . . . . ?
C41 P2 C51 C52 171.6(3) . . . . ?
C61 P2 C51 C52 58.5(4) . . . . ?
Pt1 P2 C51 C52 -62.1(4) . . . . ?
C56 C51 C52 C53 -57.4(6) . . . . ?
P2 C51 C52 C53 169.3(4) . . . . ?
C51 C52 C53 C54 56.2(6) . . . . ?
C52 C53 C54 C55 -56.0(7) . . . . ?
C53 C54 C55 C56 56.4(7) . . . . ?
C52 C51 C56 C55 58.0(5) . . . . ?
P2 C51 C56 C55 -172.0(3) . . . . ?
C54 C55 C56 C51 -57.2(6) . . . . ?
C51 P2 C61 C66 51.8(4) . . . . ?
C41 P2 C61 C66 -61.4(4) . . . . ?
Pt1 P2 C61 C66 179.4(3) . . . . ?
C51 P2 C61 C62 -78.8(4) . . . . ?
C41 P2 C61 C62 168.0(4) . . . . ?
Pt1 P2 C61 C62 48.7(4) . . . . ?
C66 C61 C62 C63 57.8(6) . . . . ?
P2 C61 C62 C63 -168.7(4) . . . . ?
C61 C62 C63 C64 -57.5(6) . . . . ?
C62 C63 C64 C65 56.5(6) . . . . ?
C63 C64 C65 C66 -55.1(6) . . . . ?
C62 C61 C66 C65 -56.9(5) . . . . ?
P2 C61 C66 C65 171.2(3) . . . . ?
C64 C65 C66 C61 55.4(6) . . . . ?

_refine_diff_density_max         3.627
_refine_diff_density_min         -2.410
_refine_diff_density_rms         0.156

_shelxl_version_number           2014-2



loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.333 0.800 0.000 7 0 ' '
2 0.667 0.200 0.000 7 0 ' '
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 1023365'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_7b


_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H78 B Br Cl8 P2 Pt Sn'

_chemical_formula_sum            'C60 H78 B Br Cl8 P2 Pt Sn'
_chemical_formula_weight         1549.26

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.5049(8)
_cell_length_b                   15.4437(9)
_cell_length_c                   15.6528(8)
_cell_angle_alpha                82.203(2)
_cell_angle_beta                 78.913(2)
_cell_angle_gamma                85.651(2)
_cell_volume                     3169.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9782
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      26.79

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_F_000             1544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.095
_exptl_crystal_size_min          0.085
_exptl_absorpt_coefficient_mu    3.653
_shelx_estimated_absorpt_T_min   0.711
_shelx_estimated_absorpt_T_max   0.747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6720
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
  The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            35908
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_av_R_equivalents  0.0230
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.413
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measured_fraction_theta_full 0.947
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_Laue_measured_fraction_full 0.947
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_point_group_measured_fraction_full 0.947
_reflns_number_total             12214
_reflns_number_gt                10568
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
  Reflections were merged by SHELXL according to the crystal
  class for the calculation of statistics and refinement.

  _reflns_Friedel_fraction is defined as the number of unique
  Friedel pairs measured divided by the number that would be
  possible theoretically, ignoring centric projections and
  systematic absences.
;

_computing_data_collection       'APEX2 ver. 2012.4-3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.18C (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.18C (Bruker AXS)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
  ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0228P)²+21.4821P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12214
_refine_ls_number_parameters     667
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_ref         0.0876
_refine_ls_wR_factor_gt          0.0805
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.001
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.71641(2) 0.42613(2) 0.33434(2) 0.01529(6) Uani 1 1 d . . . . .
Sn1 Sn 0.56511(3) 0.53040(2) 0.36869(2) 0.01774(8) Uani 1 1 d . . . . .
Br1 Br 0.60559(4) 0.55354(3) 0.53142(3) 0.02017(11) Uani 1 1 d . . . . .
P1 P 0.65112(10) 0.28879(8) 0.35161(8) 0.0167(3) Uani 1 1 d . . . . .
P2 P 0.81990(10) 0.54231(8) 0.27758(8) 0.0163(3) Uani 1 1 d . . . . .
C11 C 0.7621(4) 0.2106(3) 0.3453(3) 0.0225(11) Uani 1 1 d . . . . .
H11 H 0.7675 0.1895 0.4076 0.027 Uiso 1 1 calc R U . . .
C12 C 0.7551(4) 0.1272(3) 0.3029(3) 0.0236(12) Uani 1 1 d . . . . .
H12A H 0.6914 0.0988 0.3303 0.028 Uiso 1 1 calc R U . . .
H12B H 0.7546 0.1430 0.2395 0.028 Uiso 1 1 calc R U . . .
C13 C 0.8620(4) 0.2536(3) 0.3049(4) 0.0253(12) Uani 1 1 d . . . . .
H13A H 0.8665 0.3062 0.3335 0.030 Uiso 1 1 calc R U . . .
H13B H 0.8636 0.2724 0.2417 0.030 Uiso 1 1 calc R U . . .
C14 C 0.8448(5) 0.0637(4) 0.3152(4) 0.0301(13) Uani 1 1 d . . . . .
H14A H 0.8420 0.0448 0.3786 0.036 Uiso 1 1 calc R U . . .
H14B H 0.8405 0.0112 0.2865 0.036 Uiso 1 1 calc R U . . .
C15 C 0.9526(5) 0.1899(4) 0.3164(5) 0.0374(15) Uani 1 1 d . . . . .
H15A H 0.9552 0.1758 0.3796 0.045 Uiso 1 1 calc R U . . .
H15B H 1.0159 0.2178 0.2868 0.045 Uiso 1 1 calc R U . . .
C16 C 0.9441(5) 0.1048(4) 0.2770(5) 0.0391(16) Uani 1 1 d . . . . .
H16A H 0.9501 0.1181 0.2126 0.047 Uiso 1 1 calc R U . . .
H16B H 1.0003 0.0627 0.2890 0.047 Uiso 1 1 calc R U . . .
C21 C 0.5644(4) 0.2470(3) 0.4523(3) 0.0193(11) Uani 1 1 d . . . . .
H21 H 0.4982 0.2805 0.4509 0.023 Uiso 1 1 calc R U . . .
C22 C 0.5236(4) 0.2375(3) 0.6178(3) 0.0238(11) Uani 1 1 d . . . . .
H22A H 0.4598 0.2736 0.6177 0.029 Uiso 1 1 calc R U . . .
H22B H 0.5510 0.2474 0.6697 0.029 Uiso 1 1 calc R U . . .
C23 C 0.5990(4) 0.2661(3) 0.5347(3) 0.0210(11) Uani 1 1 d . . . . .
H23A H 0.6079 0.3297 0.5307 0.025 Uiso 1 1 calc R U . . .
H23B H 0.6653 0.2352 0.5382 0.025 Uiso 1 1 calc R U . . .
C24 C 0.5431(4) 0.1498(3) 0.4592(3) 0.0209(11) Uani 1 1 d . . . . .
H24A H 0.5167 0.1392 0.4069 0.025 Uiso 1 1 calc R U . . .
H24B H 0.6068 0.1139 0.4605 0.025 Uiso 1 1 calc R U . . .
C25 C 0.5016(5) 0.1411(3) 0.6245(3) 0.0256(12) Uani 1 1 d . . . . .
H25A H 0.4488 0.1259 0.6767 0.031 Uiso 1 1 calc R U . . .
H25B H 0.5635 0.1044 0.6319 0.031 Uiso 1 1 calc R U . . .
C26 C 0.4659(4) 0.1219(3) 0.5423(3) 0.0214(11) Uani 1 1 d . . . . .
H26A H 0.4002 0.1537 0.5385 0.026 Uiso 1 1 calc R U . . .
H26B H 0.4560 0.0584 0.5465 0.026 Uiso 1 1 calc R U . . .
C31 C 0.4818(4) 0.3181(3) 0.2704(3) 0.0228(11) Uani 1 1 d . . . . .
H31A H 0.4831 0.3804 0.2789 0.027 Uiso 1 1 calc R U . . .
H31B H 0.4400 0.2878 0.3234 0.027 Uiso 1 1 calc R U . . .
C32 C 0.5894(4) 0.2768(3) 0.2590(3) 0.0197(11) Uani 1 1 d . . . . .
H32 H 0.5859 0.2130 0.2557 0.024 Uiso 1 1 calc R U . . .
C33 C 0.6534(4) 0.3178(3) 0.1729(3) 0.0234(11) Uani 1 1 d . . . . .
H33A H 0.6621 0.3800 0.1772 0.028 Uiso 1 1 calc R U . . .
H33B H 0.7212 0.2874 0.1646 0.028 Uiso 1 1 calc R U . . .
C34 C 0.4347(5) 0.3116(4) 0.1898(4) 0.0303(13) Uani 1 1 d . . . . .
H34A H 0.4270 0.2493 0.1851 0.036 Uiso 1 1 calc R U . . .
H34B H 0.3665 0.3414 0.1974 0.036 Uiso 1 1 calc R U . . .
C35 C 0.4992(5) 0.3530(4) 0.1054(3) 0.0322(14) Uani 1 1 d . . . . .
H35A H 0.4682 0.3453 0.0548 0.039 Uiso 1 1 calc R U . . .
H35B H 0.5016 0.4166 0.1076 0.039 Uiso 1 1 calc R U . . .
C36 C 0.6054(5) 0.3119(4) 0.0933(3) 0.0269(12) Uani 1 1 d . . . . .
H36A H 0.6469 0.3422 0.0402 0.032 Uiso 1 1 calc R U . . .
H36B H 0.6036 0.2497 0.0847 0.032 Uiso 1 1 calc R U . . .
C41 C 0.7020(4) 0.6030(3) 0.1535(3) 0.0218(11) Uani 1 1 d . . . . .
H41A H 0.6573 0.5544 0.1788 0.026 Uiso 1 1 calc R U . . .
H41B H 0.6803 0.6527 0.1878 0.026 Uiso 1 1 calc R U . . .
C42 C 0.8120(4) 0.5731(3) 0.1607(3) 0.0181(10) Uani 1 1 d . . . . .
H42 H 0.8550 0.6242 0.1378 0.022 Uiso 1 1 calc R U . . .
C43 C 0.8503(4) 0.4995(3) 0.1035(3) 0.0198(11) Uani 1 1 d . . . . .
H43A H 0.9227 0.4849 0.1046 0.024 Uiso 1 1 calc R U . . .
H43B H 0.8125 0.4464 0.1276 0.024 Uiso 1 1 calc R U . . .
C44 C 0.8363(4) 0.5278(3) 0.0094(3) 0.0235(12) Uani 1 1 d . . . . .
H44A H 0.8808 0.5764 -0.0165 0.028 Uiso 1 1 calc R U . . .
H44B H 0.8574 0.4783 -0.0253 0.028 Uiso 1 1 calc R U . . .
C45 C 0.6912(5) 0.6308(4) 0.0584(3) 0.0274(13) Uani 1 1 d . . . . .
H45A H 0.6194 0.6469 0.0557 0.033 Uiso 1 1 calc R U . . .
H45B H 0.7307 0.6830 0.0346 0.033 Uiso 1 1 calc R U . . .
C46 C 0.7282(5) 0.5573(4) 0.0027(3) 0.0268(12) Uani 1 1 d . . . . .
H46A H 0.6843 0.5072 0.0227 0.032 Uiso 1 1 calc R U . . .
H46B H 0.7240 0.5778 -0.0593 0.032 Uiso 1 1 calc R U . . .
C51 C 0.9497(4) 0.4954(3) 0.2779(3) 0.0176(10) Uani 1 1 d . . . . .
H51 H 0.9553 0.4443 0.2440 0.021 Uiso 1 1 calc R U . . .
C52 C 0.9671(4) 0.4557(3) 0.3696(3) 0.0221(11) Uani 1 1 d . . . . .
H52A H 0.9733 0.5030 0.4048 0.026 Uiso 1 1 calc R U . . .
H52B H 0.9089 0.4212 0.4001 0.026 Uiso 1 1 calc R U . . .
C53 C 1.0632(4) 0.3969(4) 0.3611(4) 0.0266(12) Uani 1 1 d . . . . .
H53A H 1.0553 0.3478 0.3288 0.032 Uiso 1 1 calc R U . . .
H53B H 1.0751 0.3721 0.4202 0.032 Uiso 1 1 calc R U . . .
C54 C 1.0379(4) 0.5511(4) 0.2315(3) 0.0251(12) Uani 1 1 d . . . . .
H54A H 1.0265 0.5767 0.1725 0.030 Uiso 1 1 calc R U . . .
H54B H 1.0433 0.5996 0.2655 0.030 Uiso 1 1 calc R U . . .
C55 C 1.1535(5) 0.4481(4) 0.3127(4) 0.0364(14) Uani 1 1 d . . . . .
H55A H 1.2142 0.4078 0.3041 0.044 Uiso 1 1 calc R U . . .
H55B H 1.1663 0.4926 0.3486 0.044 Uiso 1 1 calc R U . . .
C56 C 1.1352(5) 0.4932(4) 0.2235(4) 0.0341(14) Uani 1 1 d . . . . .
H56A H 1.1930 0.5294 0.1958 0.041 Uiso 1 1 calc R U . . .
H56B H 1.1314 0.4482 0.1850 0.041 Uiso 1 1 calc R U . . .
C61 C 0.8005(4) 0.6475(3) 0.3242(3) 0.0174(10) Uani 1 1 d . . . . .
H61 H 0.7255 0.6585 0.3382 0.021 Uiso 1 1 calc R U . . .
C62 C 0.8359(4) 0.6436(3) 0.4120(3) 0.0223(11) Uani 1 1 d . . . . .
H62A H 0.9106 0.6372 0.4022 0.027 Uiso 1 1 calc R U . . .
H62B H 0.8088 0.5919 0.4516 0.027 Uiso 1 1 calc R U . . .
C63 C 0.8402(5) 0.7289(3) 0.2628(3) 0.0310(14) Uani 1 1 d . . . . .
H63A H 0.9149 0.7237 0.2485 0.037 Uiso 1 1 calc R U . . .
H63B H 0.8141 0.7328 0.2074 0.037 Uiso 1 1 calc R U . . .
C64 C 0.8001(5) 0.7270(3) 0.4553(3) 0.0284(13) Uani 1 1 d . . . . .
H64A H 0.7253 0.7313 0.4690 0.034 Uiso 1 1 calc R U . . .
H64B H 0.8253 0.7238 0.5110 0.034 Uiso 1 1 calc R U . . .
C65 C 0.8067(6) 0.8119(3) 0.3064(4) 0.0382(16) Uani 1 1 d . . . . .
H65A H 0.8361 0.8630 0.2672 0.046 Uiso 1 1 calc R U . . .
H65B H 0.7322 0.8202 0.3144 0.046 Uiso 1 1 calc R U . . .
C66 C 0.8384(6) 0.8082(4) 0.3946(4) 0.0372(15) Uani 1 1 d . . . . .
H66A H 0.8110 0.8613 0.4219 0.045 Uiso 1 1 calc R U . . .
H66B H 0.9130 0.8071 0.3862 0.045 Uiso 1 1 calc R U . . .
B71 B 0.2454(5) 0.8852(4) 0.1466(4) 0.0205(12) Uani 1 1 d . . . . .
Cl72 Cl 0.64702(11) 0.85919(9) 0.08107(11) 0.0340(3) Uani 1 1 d . . . . .
Cl73 Cl 0.44666(12) 0.94519(9) -0.18698(9) 0.0321(3) Uani 1 1 d . . . . .
Cl74 Cl 0.06824(12) 0.70166(9) -0.04007(9) 0.0318(3) Uani 1 1 d . . . . .
Cl75 Cl -0.13718(10) 0.97416(9) 0.10466(8) 0.0262(3) Uani 1 1 d . . . . .
Cl76 Cl 0.11608(15) 0.70564(12) 0.45989(10) 0.0498(5) Uani 1 1 d . . . . .
Cl77 Cl 0.39926(13) 0.55957(9) 0.22097(12) 0.0416(4) Uani 1 1 d . . . . .
Cl78 Cl 0.3087(2) 1.05669(13) 0.40741(15) 0.0812(9) Uani 1 1 d . . . . .
Cl79 Cl 0.17249(12) 1.23198(8) 0.12970(9) 0.0301(3) Uani 1 1 d . . . . .
C81 C -0.0268(4) 0.9069(3) 0.0859(3) 0.0186(10) Uani 1 1 d . . . . .
C82 C 0.0554(4) 0.9230(3) 0.1204(3) 0.0183(10) Uani 1 1 d . . . . .
H82 H 0.0500 0.9688 0.1561 0.022 Uiso 1 1 calc R U . . .
C83 C 0.0634(4) 0.7895(3) 0.0209(3) 0.0222(11) Uani 1 1 d . . . . .
C84 C 0.1459(4) 0.8739(3) 0.1044(3) 0.0181(10) Uani 1 1 d . . . . .
C85 C 0.1474(4) 0.8053(3) 0.0533(3) 0.0202(11) Uani 1 1 d . . . . .
H85 H 0.2074 0.7693 0.0408 0.024 Uiso 1 1 calc R U . . .
C86 C -0.0261(4) 0.8399(3) 0.0358(3) 0.0210(11) Uani 1 1 d . . . . .
H86 H -0.0836 0.8289 0.0129 0.025 Uiso 1 1 calc R U . . .
C91 C 0.2098(4) 1.0564(3) 0.1495(3) 0.0186(10) Uani 1 1 d . . . . .
H91 H 0.1897 1.0583 0.0943 0.022 Uiso 1 1 calc R U . . .
C92 C 0.2105(4) 1.1334(3) 0.1852(3) 0.0218(11) Uani 1 1 d . . . . .
C93 C 0.2383(4) 0.9752(3) 0.1932(3) 0.0217(11) Uani 1 1 d . . . . .
C94 C 0.2402(5) 1.1356(4) 0.2647(4) 0.0320(13) Uani 1 1 d . . . . .
H94 H 0.2404 1.1889 0.2887 0.038 Uiso 1 1 calc R U . . .
C95 C 0.2694(5) 0.9781(4) 0.2736(4) 0.0340(15) Uani 1 1 d . . . . .
H95 H 0.2908 0.9254 0.3053 0.041 Uiso 1 1 calc R U . . .
C96 C 0.2695(6) 1.0566(4) 0.3072(4) 0.0399(16) Uani 1 1 d . . . . .
C101 C 0.3544(4) 0.9119(3) -0.0169(3) 0.0206(11) Uani 1 1 d . . . . .
H101 H 0.2934 0.9235 -0.0391 0.025 Uiso 1 1 calc R U . . .
C102 C 0.3500(4) 0.8907(3) 0.0735(3) 0.0209(11) Uani 1 1 d . . . . .
C103 C 0.4437(4) 0.8763(3) 0.1012(4) 0.0222(11) Uani 1 1 d . . . . .
H103 H 0.4452 0.8639 0.1621 0.027 Uiso 1 1 calc R U . . .
C104 C 0.4460(4) 0.9164(3) -0.0745(3) 0.0233(11) Uani 1 1 d . . . . .
C105 C 0.5371(4) 0.8997(3) -0.0477(4) 0.0271(12) Uani 1 1 d . . . . .
H105 H 0.5994 0.9018 -0.0882 0.033 Uiso 1 1 calc R U . . .
C106 C 0.5333(4) 0.8798(3) 0.0419(4) 0.0262(12) Uani 1 1 d . . . . .
C111 C 0.2596(5) 0.6414(4) 0.3365(4) 0.0342(15) Uani 1 1 d . . . . .
H111 H 0.2636 0.5906 0.3776 0.041 Uiso 1 1 calc R U . . .
C112 C 0.3192(5) 0.6486(4) 0.2538(4) 0.0321(14) Uani 1 1 d . . . . .
C113 C 0.3156(5) 0.7233(3) 0.1940(4) 0.0266(12) Uani 1 1 d . . . . .
H113 H 0.3566 0.7250 0.1373 0.032 Uiso 1 1 calc R U . . .
C114 C 0.2526(4) 0.7960(3) 0.2160(3) 0.0212(11) Uani 1 1 d . . . . .
C115 C 0.1897(5) 0.7872(4) 0.2986(3) 0.0281(13) Uani 1 1 d . . . . .
H115 H 0.1432 0.8340 0.3151 0.034 Uiso 1 1 calc R U . . .
C116 C 0.1940(5) 0.7119(4) 0.3565(4) 0.0320(14) Uani 1 1 d . . . . .


_geom_special_details            
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.3207(13) . ?
Pt1 P2 2.3307(13) . ?
Pt1 Sn1 2.5241(4) . ?
Sn1 Br1 2.7798(6) . ?
Sn1 Br1 2.8208(6) 2_666 ?
Br1 Sn1 2.8207(6) 2_666 ?
P1 C32 1.842(5) . ?
P1 C21 1.844(5) . ?
P1 C11 1.848(5) . ?
P2 C51 1.845(5) . ?
P2 C42 1.849(5) . ?
P2 C61 1.851(5) . ?
C11 C13 1.534(7) . ?
C11 C12 1.544(7) . ?
C11 H11 1.0000 . ?
C12 C14 1.525(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C15 1.534(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C16 1.508(9) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.547(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C23 1.524(7) . ?
C21 C24 1.537(7) . ?
C21 H21 1.0000 . ?
C22 C23 1.525(7) . ?
C22 C25 1.526(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C26 1.535(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.529(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C32 1.529(7) . ?
C31 C34 1.537(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.538(7) . ?
C32 H32 1.0000 . ?
C33 C36 1.527(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.525(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.512(8) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C45 1.524(6) . ?
C41 C42 1.543(7) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.539(7) . ?
C42 H42 1.0000 . ?
C43 C44 1.522(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C46 1.515(8) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.521(7) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C54 1.530(7) . ?
C51 C52 1.538(6) . ?
C51 H51 1.0000 . ?
C52 C53 1.521(7) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C55 1.521(8) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C56 1.527(8) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.529(8) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C62 1.531(7) . ?
C61 C63 1.539(7) . ?
C61 H61 1.0000 . ?
C62 C64 1.539(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C65 1.531(7) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C66 1.526(8) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.515(9) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
B71 C102 1.638(8) . ?
B71 C84 1.637(8) . ?
B71 C93 1.643(7) . ?
B71 C114 1.643(7) . ?
Cl72 C106 1.752(6) . ?
Cl73 C104 1.754(6) . ?
Cl74 C83 1.753(5) . ?
Cl75 C81 1.751(5) . ?
Cl76 C116 1.748(6) . ?
Cl77 C112 1.754(6) . ?
Cl78 C96 1.749(6) . ?
Cl79 C92 1.740(5) . ?
C81 C82 1.375(7) . ?
C81 C86 1.380(7) . ?
C82 C84 1.388(7) . ?
C82 H82 0.9500 . ?
C83 C85 1.378(8) . ?
C83 C86 1.384(8) . ?
C84 C85 1.408(7) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C91 C92 1.383(7) . ?
C91 C93 1.409(7) . ?
C91 H91 0.9500 . ?
C92 C94 1.385(8) . ?
C93 C95 1.409(7) . ?
C94 C96 1.376(8) . ?
C94 H94 0.9500 . ?
C95 C96 1.385(8) . ?
C95 H95 0.9500 . ?
C101 C104 1.385(8) . ?
C101 C102 1.400(7) . ?
C101 H101 0.9500 . ?
C102 C103 1.407(8) . ?
C103 C106 1.376(8) . ?
C103 H103 0.9500 . ?
C104 C105 1.370(8) . ?
C105 C106 1.387(8) . ?
C105 H105 0.9500 . ?
C111 C116 1.381(9) . ?
C111 C112 1.383(9) . ?
C111 H111 0.9500 . ?
C112 C113 1.386(7) . ?
C113 C114 1.397(8) . ?
C113 H113 0.9500 . ?
C114 C115 1.399(8) . ?
C115 C116 1.378(7) . ?
C115 H115 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 P2 159.86(4) . . ?
P1 Pt1 Sn1 105.25(3) . . ?
P2 Pt1 Sn1 91.18(3) . . ?
Pt1 Sn1 Br1 93.898(16) . . ?
Pt1 Sn1 Br1 112.959(16) . 2_666 ?
Br1 Sn1 Br1 84.097(18) . 2_666 ?
Sn1 Br1 Sn1 95.901(18) . 2_666 ?
C32 P1 C21 106.6(2) . . ?
C32 P1 C11 106.9(2) . . ?
C21 P1 C11 104.8(2) . . ?
C32 P1 Pt1 110.47(17) . . ?
C21 P1 Pt1 121.75(16) . . ?
C11 P1 Pt1 105.29(18) . . ?
C51 P2 C42 105.4(2) . . ?
C51 P2 C61 111.1(2) . . ?
C42 P2 C61 104.2(2) . . ?
C51 P2 Pt1 104.78(16) . . ?
C42 P2 Pt1 108.83(17) . . ?
C61 P2 Pt1 121.58(16) . . ?
C13 C11 C12 110.0(4) . . ?
C13 C11 P1 113.3(3) . . ?
C12 C11 P1 116.6(4) . . ?
C13 C11 H11 105.3 . . ?
C12 C11 H11 105.3 . . ?
P1 C11 H11 105.3 . . ?
C14 C12 C11 110.0(5) . . ?
C14 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C14 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C11 C13 C15 111.0(4) . . ?
C11 C13 H13A 109.4 . . ?
C15 C13 H13A 109.4 . . ?
C11 C13 H13B 109.4 . . ?
C15 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C16 C14 C12 111.8(5) . . ?
C16 C14 H14A 109.3 . . ?
C12 C14 H14A 109.3 . . ?
C16 C14 H14B 109.3 . . ?
C12 C14 H14B 109.3 . . ?
H14A C14 H14B 107.9 . . ?
C13 C15 C16 110.5(5) . . ?
C13 C15 H15A 109.6 . . ?
C16 C15 H15A 109.6 . . ?
C13 C15 H15B 109.6 . . ?
C16 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C14 C16 C15 111.4(5) . . ?
C14 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
C14 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
C23 C21 C24 110.4(4) . . ?
C23 C21 P1 111.9(4) . . ?
C24 C21 P1 114.6(3) . . ?
C23 C21 H21 106.4 . . ?
C24 C21 H21 106.4 . . ?
P1 C21 H21 106.4 . . ?
C23 C22 C25 111.7(4) . . ?
C23 C22 H22A 109.3 . . ?
C25 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C25 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C21 C23 C22 112.0(4) . . ?
C21 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C21 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C26 C24 C21 111.1(4) . . ?
C26 C24 H24A 109.4 . . ?
C21 C24 H24A 109.4 . . ?
C26 C24 H24B 109.4 . . ?
C21 C24 H24B 109.4 . . ?
H24A C24 H24B 108.0 . . ?
C22 C25 C26 110.8(4) . . ?
C22 C25 H25A 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C25 C26 C24 111.1(4) . . ?
C25 C26 H26A 109.4 . . ?
C24 C26 H26A 109.4 . . ?
C25 C26 H26B 109.4 . . ?
C24 C26 H26B 109.4 . . ?
H26A C26 H26B 108.0 . . ?
C32 C31 C34 110.8(4) . . ?
C32 C31 H31A 109.5 . . ?
C34 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
C34 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
C31 C32 C33 110.3(4) . . ?
C31 C32 P1 112.1(3) . . ?
C33 C32 P1 109.6(4) . . ?
C31 C32 H32 108.3 . . ?
C33 C32 H32 108.3 . . ?
P1 C32 H32 108.3 . . ?
C36 C33 C32 112.4(5) . . ?
C36 C33 H33A 109.1 . . ?
C32 C33 H33A 109.1 . . ?
C36 C33 H33B 109.1 . . ?
C32 C33 H33B 109.1 . . ?
H33A C33 H33B 107.9 . . ?
C35 C34 C31 111.7(5) . . ?
C35 C34 H34A 109.3 . . ?
C31 C34 H34A 109.3 . . ?
C35 C34 H34B 109.3 . . ?
C31 C34 H34B 109.3 . . ?
H34A C34 H34B 107.9 . . ?
C36 C35 C34 110.9(5) . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C33 110.9(4) . . ?
C35 C36 H36A 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 108.0 . . ?
C45 C41 C42 111.4(4) . . ?
C45 C41 H41A 109.3 . . ?
C42 C41 H41A 109.3 . . ?
C45 C41 H41B 109.3 . . ?
C42 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
C43 C42 C41 110.7(4) . . ?
C43 C42 P2 113.4(3) . . ?
C41 C42 P2 109.0(3) . . ?
C43 C42 H42 107.8 . . ?
C41 C42 H42 107.8 . . ?
P2 C42 H42 107.8 . . ?
C44 C43 C42 110.4(4) . . ?
C44 C43 H43A 109.6 . . ?
C42 C43 H43A 109.6 . . ?
C44 C43 H43B 109.6 . . ?
C42 C43 H43B 109.6 . . ?
H43A C43 H43B 108.1 . . ?
C46 C44 C43 112.8(4) . . ?
C46 C44 H44A 109.0 . . ?
C43 C44 H44A 109.0 . . ?
C46 C44 H44B 109.0 . . ?
C43 C44 H44B 109.0 . . ?
H44A C44 H44B 107.8 . . ?
C46 C45 C41 110.8(4) . . ?
C46 C45 H45A 109.5 . . ?
C41 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
C41 C45 H45B 109.5 . . ?
H45A C45 H45B 108.1 . . ?
C44 C46 C45 110.7(5) . . ?
C44 C46 H46A 109.5 . . ?
C45 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 108.1 . . ?
C54 C51 C52 110.0(4) . . ?
C54 C51 P2 118.3(3) . . ?
C52 C51 P2 113.1(4) . . ?
C54 C51 H51 104.6 . . ?
C52 C51 H51 104.6 . . ?
P2 C51 H51 104.6 . . ?
C53 C52 C51 109.5(4) . . ?
C53 C52 H52A 109.8 . . ?
C51 C52 H52A 109.8 . . ?
C53 C52 H52B 109.8 . . ?
C51 C52 H52B 109.8 . . ?
H52A C52 H52B 108.2 . . ?
C52 C53 C55 110.7(5) . . ?
C52 C53 H53A 109.5 . . ?
C55 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C55 C53 H53B 109.5 . . ?
H53A C53 H53B 108.1 . . ?
C56 C54 C51 108.8(4) . . ?
C56 C54 H54A 109.9 . . ?
C51 C54 H54A 109.9 . . ?
C56 C54 H54B 109.9 . . ?
C51 C54 H54B 109.9 . . ?
H54A C54 H54B 108.3 . . ?
C53 C55 C56 111.3(5) . . ?
C53 C55 H55A 109.4 . . ?
C56 C55 H55A 109.4 . . ?
C53 C55 H55B 109.4 . . ?
C56 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?
C54 C56 C55 112.0(5) . . ?
C54 C56 H56A 109.2 . . ?
C55 C56 H56A 109.2 . . ?
C54 C56 H56B 109.2 . . ?
C55 C56 H56B 109.2 . . ?
H56A C56 H56B 107.9 . . ?
C62 C61 C63 109.9(4) . . ?
C62 C61 P2 113.6(3) . . ?
C63 C61 P2 116.7(3) . . ?
C62 C61 H61 105.2 . . ?
C63 C61 H61 105.2 . . ?
P2 C61 H61 105.2 . . ?
C61 C62 C64 110.9(4) . . ?
C61 C62 H62A 109.5 . . ?
C64 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C64 C62 H62B 109.5 . . ?
H62A C62 H62B 108.0 . . ?
C65 C63 C61 110.5(4) . . ?
C65 C63 H63A 109.6 . . ?
C61 C63 H63A 109.6 . . ?
C65 C63 H63B 109.6 . . ?
C61 C63 H63B 109.6 . . ?
H63A C63 H63B 108.1 . . ?
C66 C64 C62 110.7(5) . . ?
C66 C64 H64A 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C66 C64 H64B 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 108.1 . . ?
C66 C65 C63 112.6(5) . . ?
C66 C65 H65A 109.1 . . ?
C63 C65 H65A 109.1 . . ?
C66 C65 H65B 109.1 . . ?
C63 C65 H65B 109.1 . . ?
H65A C65 H65B 107.8 . . ?
C65 C66 C64 110.8(5) . . ?
C65 C66 H66A 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 108.1 . . ?
C102 B71 C84 113.1(4) . . ?
C102 B71 C93 104.8(4) . . ?
C84 B71 C93 113.1(4) . . ?
C102 B71 C114 108.8(4) . . ?
C84 B71 C114 104.3(4) . . ?
C93 B71 C114 112.9(4) . . ?
C82 C81 C86 122.7(5) . . ?
C82 C81 Cl75 119.5(4) . . ?
C86 C81 Cl75 117.8(4) . . ?
C81 C82 C84 121.6(5) . . ?
C81 C82 H82 119.2 . . ?
C84 C82 H82 119.2 . . ?
C85 C83 C86 122.5(5) . . ?
C85 C83 Cl74 119.3(4) . . ?
C86 C83 Cl74 118.2(4) . . ?
C82 C84 C85 116.1(5) . . ?
C82 C84 B71 124.9(4) . . ?
C85 C84 B71 118.8(4) . . ?
C83 C85 C84 121.1(5) . . ?
C83 C85 H85 119.5 . . ?
C84 C85 H85 119.5 . . ?
C81 C86 C83 115.9(5) . . ?
C81 C86 H86 122.0 . . ?
C83 C86 H86 122.0 . . ?
C92 C91 C93 121.4(5) . . ?
C92 C91 H91 119.3 . . ?
C93 C91 H91 119.3 . . ?
C91 C92 C94 122.3(5) . . ?
C91 C92 Cl79 119.8(4) . . ?
C94 C92 Cl79 117.9(4) . . ?
C95 C93 C91 115.9(5) . . ?
C95 C93 B71 123.0(4) . . ?
C91 C93 B71 120.8(4) . . ?
C96 C94 C92 116.6(5) . . ?
C96 C94 H94 121.7 . . ?
C92 C94 H94 121.7 . . ?
C96 C95 C93 121.2(5) . . ?
C96 C95 H95 119.4 . . ?
C93 C95 H95 119.4 . . ?
C94 C96 C95 122.7(5) . . ?
C94 C96 Cl78 118.0(5) . . ?
C95 C96 Cl78 119.3(5) . . ?
C104 C101 C102 121.2(5) . . ?
C104 C101 H101 119.4 . . ?
C102 C101 H101 119.4 . . ?
C101 C102 C103 115.8(5) . . ?
C101 C102 B71 124.6(5) . . ?
C103 C102 B71 119.6(5) . . ?
C106 C103 C102 121.4(5) . . ?
C106 C103 H103 119.3 . . ?
C102 C103 H103 119.3 . . ?
C105 C104 C101 122.9(5) . . ?
C105 C104 Cl73 118.0(4) . . ?
C101 C104 Cl73 119.1(4) . . ?
C104 C105 C106 116.2(5) . . ?
C104 C105 H105 121.9 . . ?
C106 C105 H105 121.9 . . ?
C103 C106 C105 122.5(5) . . ?
C103 C106 Cl72 118.8(4) . . ?
C105 C106 Cl72 118.7(4) . . ?
C116 C111 C112 116.6(5) . . ?
C116 C111 H111 121.7 . . ?
C112 C111 H111 121.7 . . ?
C111 C112 C113 122.2(6) . . ?
C111 C112 Cl77 119.5(4) . . ?
C113 C112 Cl77 118.3(5) . . ?
C112 C113 C114 121.0(6) . . ?
C112 C113 H113 119.5 . . ?
C114 C113 H113 119.5 . . ?
C113 C114 C115 116.6(5) . . ?
C113 C114 B71 122.4(5) . . ?
C115 C114 B71 120.9(5) . . ?
C116 C115 C114 121.2(6) . . ?
C116 C115 H115 119.4 . . ?
C114 C115 H115 119.4 . . ?
C111 C116 C115 122.3(6) . . ?
C111 C116 Cl76 118.4(4) . . ?
C115 C116 Cl76 119.3(5) . . ?

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
C32 P1 C11 C13 100.6(4) . . . . ?
C21 P1 C11 C13 -146.5(4) . . . . ?
Pt1 P1 C11 C13 -16.9(4) . . . . ?
C32 P1 C11 C12 -28.6(4) . . . . ?
C21 P1 C11 C12 84.3(4) . . . . ?
Pt1 P1 C11 C12 -146.1(3) . . . . ?
C13 C11 C12 C14 57.8(6) . . . . ?
P1 C11 C12 C14 -171.4(4) . . . . ?
C12 C11 C13 C15 -57.8(6) . . . . ?
P1 C11 C13 C15 169.7(4) . . . . ?
C11 C12 C14 C16 -57.5(6) . . . . ?
C11 C13 C15 C16 55.8(7) . . . . ?
C12 C14 C16 C15 56.1(7) . . . . ?
C13 C15 C16 C14 -54.7(7) . . . . ?
C32 P1 C21 C23 -171.2(3) . . . . ?
C11 P1 C21 C23 75.7(4) . . . . ?
Pt1 P1 C21 C23 -43.3(4) . . . . ?
C32 P1 C21 C24 62.1(4) . . . . ?
C11 P1 C21 C24 -51.0(4) . . . . ?
Pt1 P1 C21 C24 -170.0(3) . . . . ?
C24 C21 C23 C22 -55.1(6) . . . . ?
P1 C21 C23 C22 175.9(4) . . . . ?
C25 C22 C23 C21 55.2(6) . . . . ?
C23 C21 C24 C26 55.7(6) . . . . ?
P1 C21 C24 C26 -176.9(4) . . . . ?
C23 C22 C25 C26 -55.0(6) . . . . ?
C22 C25 C26 C24 55.7(6) . . . . ?
C21 C24 C26 C25 -56.4(6) . . . . ?
C34 C31 C32 C33 54.4(6) . . . . ?
C34 C31 C32 P1 176.8(4) . . . . ?
C21 P1 C32 C31 52.3(4) . . . . ?
C11 P1 C32 C31 164.0(4) . . . . ?
Pt1 P1 C32 C31 -81.9(4) . . . . ?
C21 P1 C32 C33 175.1(3) . . . . ?
C11 P1 C32 C33 -73.2(4) . . . . ?
Pt1 P1 C32 C33 40.9(4) . . . . ?
C31 C32 C33 C36 -54.9(6) . . . . ?
P1 C32 C33 C36 -178.8(4) . . . . ?
C32 C31 C34 C35 -56.1(6) . . . . ?
C31 C34 C35 C36 56.6(6) . . . . ?
C34 C35 C36 C33 -55.7(6) . . . . ?
C32 C33 C36 C35 55.6(6) . . . . ?
C45 C41 C42 C43 -55.6(6) . . . . ?
C45 C41 C42 P2 179.0(4) . . . . ?
C51 P2 C42 C43 49.5(4) . . . . ?
C61 P2 C42 C43 166.5(4) . . . . ?
Pt1 P2 C42 C43 -62.4(4) . . . . ?
C51 P2 C42 C41 173.3(3) . . . . ?
C61 P2 C42 C41 -69.7(4) . . . . ?
Pt1 P2 C42 C41 61.4(4) . . . . ?
C41 C42 C43 C44 54.1(6) . . . . ?
P2 C42 C43 C44 177.0(4) . . . . ?
C42 C43 C44 C46 -55.3(6) . . . . ?
C42 C41 C45 C46 56.5(6) . . . . ?
C43 C44 C46 C45 56.3(6) . . . . ?
C41 C45 C46 C44 -56.1(6) . . . . ?
C42 P2 C51 C54 56.1(4) . . . . ?
C61 P2 C51 C54 -56.1(4) . . . . ?
Pt1 P2 C51 C54 170.9(3) . . . . ?
C42 P2 C51 C52 -173.2(4) . . . . ?
C61 P2 C51 C52 74.6(4) . . . . ?
Pt1 P2 C51 C52 -58.4(4) . . . . ?
C54 C51 C52 C53 -61.2(6) . . . . ?
P2 C51 C52 C53 164.1(4) . . . . ?
C51 C52 C53 C55 58.2(6) . . . . ?
C52 C51 C54 C56 59.6(5) . . . . ?
P2 C51 C54 C56 -168.2(4) . . . . ?
C52 C53 C55 C56 -55.0(7) . . . . ?
C51 C54 C56 C55 -56.5(6) . . . . ?
C53 C55 C56 C54 54.6(7) . . . . ?
C51 P2 C61 C62 -48.9(4) . . . . ?
C42 P2 C61 C62 -161.9(4) . . . . ?
Pt1 P2 C61 C62 75.0(4) . . . . ?
C51 P2 C61 C63 80.5(5) . . . . ?
C42 P2 C61 C63 -32.5(5) . . . . ?
Pt1 P2 C61 C63 -155.6(4) . . . . ?
C63 C61 C62 C64 57.8(6) . . . . ?
P2 C61 C62 C64 -169.5(4) . . . . ?
C62 C61 C63 C65 -56.2(7) . . . . ?
P2 C61 C63 C65 172.6(4) . . . . ?
C61 C62 C64 C66 -57.6(7) . . . . ?
C61 C63 C65 C66 55.7(8) . . . . ?
C63 C65 C66 C64 -55.2(7) . . . . ?
C62 C64 C66 C65 55.5(7) . . . . ?
C86 C81 C82 C84 2.1(7) . . . . ?
Cl75 C81 C82 C84 -177.3(4) . . . . ?
C81 C82 C84 C85 -1.9(7) . . . . ?
C81 C82 C84 B71 -176.8(5) . . . . ?
C102 B71 C84 C82 -131.8(5) . . . . ?
C93 B71 C84 C82 -12.9(7) . . . . ?
C114 B71 C84 C82 110.1(5) . . . . ?
C102 B71 C84 C85 53.3(6) . . . . ?
C93 B71 C84 C85 172.3(4) . . . . ?
C114 B71 C84 C85 -64.7(6) . . . . ?
C86 C83 C85 C84 0.6(8) . . . . ?
Cl74 C83 C85 C84 -178.4(4) . . . . ?
C82 C84 C85 C83 0.6(7) . . . . ?
B71 C84 C85 C83 175.8(5) . . . . ?
C82 C81 C86 C83 -0.8(7) . . . . ?
Cl75 C81 C86 C83 178.6(4) . . . . ?
C85 C83 C86 C81 -0.5(7) . . . . ?
Cl74 C83 C86 C81 178.5(4) . . . . ?
C93 C91 C92 C94 0.9(8) . . . . ?
C93 C91 C92 Cl79 -178.9(4) . . . . ?
C92 C91 C93 C95 -1.5(8) . . . . ?
C92 C91 C93 B71 -175.4(5) . . . . ?
C102 B71 C93 C95 -97.8(6) . . . . ?
C84 B71 C93 C95 138.6(6) . . . . ?
C114 B71 C93 C95 20.5(8) . . . . ?
C102 B71 C93 C91 75.6(6) . . . . ?
C84 B71 C93 C91 -48.0(7) . . . . ?
C114 B71 C93 C91 -166.1(5) . . . . ?
C91 C92 C94 C96 0.0(9) . . . . ?
Cl79 C92 C94 C96 179.8(5) . . . . ?
C91 C93 C95 C96 1.2(9) . . . . ?
B71 C93 C95 C96 175.0(6) . . . . ?
C92 C94 C96 C95 -0.2(11) . . . . ?
C92 C94 C96 Cl78 179.4(5) . . . . ?
C93 C95 C96 C94 -0.4(12) . . . . ?
C93 C95 C96 Cl78 180.0(5) . . . . ?
C104 C101 C102 C103 1.2(7) . . . . ?
C104 C101 C102 B71 179.2(5) . . . . ?
C84 B71 C102 C101 19.6(7) . . . . ?
C93 B71 C102 C101 -104.0(5) . . . . ?
C114 B71 C102 C101 134.9(5) . . . . ?
C84 B71 C102 C103 -162.6(4) . . . . ?
C93 B71 C102 C103 73.8(5) . . . . ?
C114 B71 C102 C103 -47.2(6) . . . . ?
C101 C102 C103 C106 -2.4(7) . . . . ?
B71 C102 C103 C106 179.6(5) . . . . ?
C102 C101 C104 C105 0.7(8) . . . . ?
C102 C101 C104 Cl73 -178.9(4) . . . . ?
C101 C104 C105 C106 -1.4(8) . . . . ?
Cl73 C104 C105 C106 178.1(4) . . . . ?
C102 C103 C106 C105 1.7(8) . . . . ?
C102 C103 C106 Cl72 -178.9(4) . . . . ?
C104 C105 C106 C103 0.3(8) . . . . ?
C104 C105 C106 Cl72 -179.2(4) . . . . ?
C116 C111 C112 C113 1.5(9) . . . . ?
C116 C111 C112 Cl77 -176.3(5) . . . . ?
C111 C112 C113 C114 1.6(9) . . . . ?
Cl77 C112 C113 C114 179.4(4) . . . . ?
C112 C113 C114 C115 -3.8(8) . . . . ?
C112 C113 C114 B71 -179.3(5) . . . . ?
C102 B71 C114 C113 -24.0(7) . . . . ?
C84 B71 C114 C113 96.9(6) . . . . ?
C93 B71 C114 C113 -140.0(5) . . . . ?
C102 B71 C114 C115 160.6(5) . . . . ?
C84 B71 C114 C115 -78.5(6) . . . . ?
C93 B71 C114 C115 44.7(7) . . . . ?
C113 C114 C115 C116 3.1(8) . . . . ?
B71 C114 C115 C116 178.7(5) . . . . ?
C112 C111 C116 C115 -2.1(9) . . . . ?
C112 C111 C116 Cl76 179.3(4) . . . . ?
C114 C115 C116 C111 -0.2(9) . . . . ?
C114 C115 C116 Cl76 178.3(4) . . . . ?

_refine_diff_density_max         1.922
_refine_diff_density_min         -1.773
_refine_diff_density_rms         0.141

_shelxl_version_number           2014-2

# start Validation Reply Form
_vrf_PLAT029_FlHu184             
;
PROBLEM: _diffrn_measured_fraction_theta_full Low ....... 0.947 Note
RESPONSE: The quality of the small crystal  was good enough, but even
additional runs were not enough to get an overall completeness.
;
# end Validation Reply Form


_database_code_depnum_ccdc_archive 'CCDC 1023366'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_10



_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H66 Al2 Br8 P2 Pt Sn'

_chemical_formula_sum            'C36 H66 Al2 Br8 P2 Pt Sn'
_chemical_formula_weight         1567.84

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'
Al Al 0.0645 0.0514 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   13.2989(18)
_cell_length_b                   22.907(3)
_cell_length_c                   16.964(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.008(7)
_cell_angle_gamma                90
_cell_volume                     5104.0(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.040
_exptl_crystal_F_000             2984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    9.611
_shelx_estimated_absorpt_T_min   0.117
_shelx_estimated_absorpt_T_max   0.249
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0772
_exptl_absorpt_correction_T_max  0.1683
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
  The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            44416
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.020
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10437
_reflns_number_gt                8963
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
  Reflections were merged by SHELXL according to the crystal
  class for the calculation of statistics and refinement.

  _reflns_Friedel_fraction is defined as the number of unique
  Friedel pairs measured divided by the number that would be
  possible theoretically, ignoring centric projections and
  systematic absences.
;

_computing_data_collection       'APEX2 ver. 2012.4-3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.18C (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.18C (Bruker AXS)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
  ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0340P)²+8.5116P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10437
_refine_ls_number_parameters     649
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0285
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0669
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.003
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.71179(2) 0.85928(2) 0.72187(2) 0.01271(5) Uani 1 1 d . . . . .
Br1 Br 0.67897(3) 0.69062(2) 0.64481(3) 0.02325(10) Uani 1 1 d . . . . .
P1 P 0.86487(7) 0.88124(5) 0.68045(7) 0.0136(2) Uani 1 1 d . . . . .
Al1 Al 0.72475(10) 0.64995(6) 0.52734(8) 0.0211(3) Uani 1 1 d . . . . .
Sn2 Sn 0.63926(2) 0.81260(2) 0.59202(2) 0.01663(7) Uani 1 1 d . . . . .
Br2 Br 0.58853(4) 0.60433(3) 0.45977(3) 0.03993(14) Uani 1 1 d . . . . .
P2 P 0.58037(7) 0.86623(5) 0.79590(6) 0.0129(2) Uani 1 1 d . . . . .
Br3 Br 0.85471(4) 0.58628(3) 0.56477(4) 0.03947(14) Uani 1 1 d . . . . .
Br4 Br 0.77340(4) 0.72778(3) 0.45675(3) 0.03741(13) Uani 1 1 d . . . . .
C11 C 0.9183(3) 0.9405(2) 0.7486(3) 0.0272(11) Uani 1 1 d . . . . .
H11 H 0.939(4) 0.915(2) 0.806(3) 0.033 Uiso 1 1 d . U . . .
C12 C 0.8400(4) 0.9802(2) 0.7738(4) 0.0355(13) Uani 1 1 d . . . . .
H12A H 0.804(4) 1.004(3) 0.722(3) 0.043 Uiso 1 1 d . U . . .
H12B H 0.784(4) 0.960(3) 0.786(3) 0.043 Uiso 1 1 d . U . . .
C13 C 0.8843(4) 1.0238(2) 0.8370(3) 0.0249(10) Uani 1 1 d . . . . .
H13A H 0.906(4) 1.002(2) 0.873(3) 0.030 Uiso 1 1 d . U . . .
H13B H 0.828(4) 1.045(2) 0.844(3) 0.030 Uiso 1 1 d . U . . .
C14 C 0.9736(4) 1.0558(3) 0.8170(4) 0.0401(14) Uani 1 1 d . . . . .
H14A H 0.953(4) 1.086(3) 0.769(4) 0.048 Uiso 1 1 d . U . . .
H14B H 1.005(5) 1.074(3) 0.859(4) 0.048 Uiso 1 1 d . U . . .
C15 C 1.0522(4) 1.0177(2) 0.7878(4) 0.0312(12) Uani 1 1 d . . . . .
H15A H 1.079(4) 0.995(3) 0.834(3) 0.037 Uiso 1 1 d . U . . .
H15B H 1.105(4) 1.036(2) 0.767(3) 0.037 Uiso 1 1 d . U . . .
C16 C 1.0103(3) 0.9725(2) 0.7273(3) 0.0213(10) Uani 1 1 d . . . . .
H16A H 0.982(4) 0.999(2) 0.680(3) 0.026 Uiso 1 1 d . U . . .
H16B H 1.059(4) 0.952(2) 0.716(3) 0.026 Uiso 1 1 d . U . . .
C21 C 0.8505(3) 0.90408(19) 0.5754(3) 0.0159(9) Uani 1 1 d . . . . .
H21 H 0.825(3) 0.869(2) 0.538(3) 0.019 Uiso 1 1 d . U . . .
C22 C 0.7723(3) 0.9543(2) 0.5574(3) 0.0229(10) Uani 1 1 d . . . . .
H22A H 0.802(4) 0.987(2) 0.578(3) 0.027 Uiso 1 1 d . U . . .
H22B H 0.709(4) 0.947(2) 0.582(3) 0.027 Uiso 1 1 d . U . . .
C23 C 0.7439(4) 0.9621(3) 0.4667(3) 0.0320(12) Uani 1 1 d . . . . .
H23A H 0.698(4) 0.997(3) 0.458(3) 0.038 Uiso 1 1 d . U . . .
H23B H 0.708(4) 0.930(3) 0.440(3) 0.038 Uiso 1 1 d . U . . .
C24 C 0.8382(4) 0.9732(3) 0.4281(3) 0.0295(11) Uani 1 1 d . . . . .
H24A H 0.816(4) 0.974(2) 0.372(3) 0.035 Uiso 1 1 d . U . . .
H24B H 0.867(4) 1.012(3) 0.448(3) 0.035 Uiso 1 1 d . U . . .
C25 C 0.9168(4) 0.9248(2) 0.4485(3) 0.0247(10) Uani 1 1 d . . . . .
H25A H 0.883(4) 0.887(2) 0.423(3) 0.030 Uiso 1 1 d . U . . .
H25B H 0.975(4) 0.935(2) 0.427(3) 0.030 Uiso 1 1 d . U . . .
C26 C 0.9453(3) 0.9178(2) 0.5386(3) 0.0197(9) Uani 1 1 d . . . . .
H26A H 0.973(3) 0.957(2) 0.565(3) 0.024 Uiso 1 1 d . U . . .
H26B H 0.991(4) 0.887(2) 0.558(3) 0.024 Uiso 1 1 d . U . . .
C31 C 0.9626(3) 0.82382(19) 0.6949(3) 0.0171(9) Uani 1 1 d . . . . .
H31 H 1.030(4) 0.837(2) 0.691(3) 0.021 Uiso 1 1 d . U . . .
C32 C 0.9470(4) 0.7774(2) 0.6303(3) 0.0242(10) Uani 1 1 d . . . . .
H32A H 0.883(4) 0.759(2) 0.640(3) 0.029 Uiso 1 1 d . U . . .
H32B H 0.945(4) 0.796(2) 0.577(3) 0.029 Uiso 1 1 d . U . . .
C33 C 1.0290(4) 0.7306(3) 0.6435(4) 0.0340(12) Uani 1 1 d . . . . .
H33A H 1.096(4) 0.751(2) 0.645(3) 0.041 Uiso 1 1 d . U . . .
H33B H 1.018(4) 0.702(3) 0.602(3) 0.041 Uiso 1 1 d . U . . .
C34 C 1.0343(5) 0.7022(3) 0.7250(4) 0.0415(14) Uani 1 1 d . . . . .
H34A H 1.101(4) 0.677(3) 0.738(4) 0.050 Uiso 1 1 d . U . . .
H34B H 0.970(5) 0.680(3) 0.726(4) 0.050 Uiso 1 1 d . U . . .
C35 C 1.0478(5) 0.7470(3) 0.7908(4) 0.0425(14) Uani 1 1 d . . . . .
H35A H 1.047(4) 0.731(3) 0.850(4) 0.051 Uiso 1 1 d . U . . .
H35B H 1.110(5) 0.769(3) 0.795(4) 0.051 Uiso 1 1 d . U . . .
C36 C 0.9663(4) 0.7943(3) 0.7770(3) 0.0309(12) Uani 1 1 d . . . . .
H36A H 0.907(4) 0.779(3) 0.777(3) 0.037 Uiso 1 1 d . U . . .
H36B H 0.985(4) 0.826(2) 0.828(3) 0.037 Uiso 1 1 d . U . . .
C41 C 0.4917(3) 0.92534(19) 0.7589(3) 0.0157(9) Uani 1 1 d . . . . .
H41 H 0.466(3) 0.909(2) 0.713(3) 0.019 Uiso 1 1 d . U . . .
C42 C 0.5481(3) 0.98134(19) 0.7398(3) 0.0181(9) Uani 1 1 d . . . . .
H42A H 0.599(3) 0.974(2) 0.705(3) 0.022 Uiso 1 1 d . U . . .
H42B H 0.582(4) 0.994(2) 0.786(3) 0.022 Uiso 1 1 d . U . . .
C43 C 0.4733(4) 1.0273(2) 0.7010(3) 0.0238(10) Uani 1 1 d . . . . .
H43A H 0.501(4) 1.059(2) 0.690(3) 0.029 Uiso 1 1 d . U . . .
H43B H 0.447(4) 1.012(2) 0.650(3) 0.029 Uiso 1 1 d . U . . .
C44 C 0.3899(4) 1.0399(2) 0.7514(3) 0.0297(11) Uani 1 1 d . . . . .
H44A H 0.340(4) 1.065(3) 0.723(3) 0.036 Uiso 1 1 d . U . . .
H44B H 0.420(4) 1.056(2) 0.801(3) 0.036 Uiso 1 1 d . U . . .
C45 C 0.3366(4) 0.9848(2) 0.7713(4) 0.0320(12) Uani 1 1 d . . . . .
H45A H 0.289(4) 0.993(2) 0.808(3) 0.038 Uiso 1 1 d . U . . .
H45B H 0.298(4) 0.967(3) 0.726(3) 0.038 Uiso 1 1 d . U . . .
C46 C 0.4119(4) 0.9399(2) 0.8122(3) 0.0240(10) Uani 1 1 d . . . . .
H46A H 0.443(4) 0.952(2) 0.859(3) 0.029 Uiso 1 1 d . U . . .
H46B H 0.376(4) 0.906(2) 0.821(3) 0.029 Uiso 1 1 d . U . . .
C51 C 0.5007(3) 0.80211(19) 0.8081(3) 0.0161(9) Uani 1 1 d . . . . .
H51 H 0.461(3) 0.812(2) 0.849(3) 0.019 Uiso 1 1 d . U . . .
C52 C 0.4247(4) 0.7900(2) 0.7327(3) 0.0222(10) Uani 1 1 d . . . . .
H52A H 0.377(4) 0.823(2) 0.719(3) 0.027 Uiso 1 1 d . U . . .
H52B H 0.454(4) 0.786(2) 0.697(3) 0.027 Uiso 1 1 d . U . . .
C53 C 0.3592(4) 0.7367(2) 0.7428(3) 0.0246(10) Uani 1 1 d . . . . .
H53A H 0.319(4) 0.731(2) 0.701(3) 0.030 Uiso 1 1 d . U . . .
H53B H 0.316(4) 0.744(2) 0.785(3) 0.030 Uiso 1 1 d . U . . .
C54 C 0.4241(4) 0.6834(2) 0.7678(4) 0.0311(12) Uani 1 1 d . . . . .
H54A H 0.383(4) 0.649(2) 0.780(3) 0.037 Uiso 1 1 d . U . . .
H54B H 0.461(4) 0.673(2) 0.730(3) 0.037 Uiso 1 1 d . U . . .
C55 C 0.4999(4) 0.6955(2) 0.8429(3) 0.0271(11) Uani 1 1 d . . . . .
H55A H 0.461(4) 0.698(2) 0.886(3) 0.033 Uiso 1 1 d . U . . .
H55B H 0.536(4) 0.663(3) 0.856(3) 0.033 Uiso 1 1 d . U . . .
C56 C 0.5665(3) 0.7484(2) 0.8334(3) 0.0205(10) Uani 1 1 d . . . . .
H56A H 0.615(4) 0.759(2) 0.881(3) 0.025 Uiso 1 1 d . U . . .
H56B H 0.607(4) 0.742(2) 0.799(3) 0.025 Uiso 1 1 d . U . . .
C61 C 0.6431(3) 0.8892(2) 0.8967(3) 0.0163(9) Uani 1 1 d . . . . .
H61 H 0.654(3) 0.932(2) 0.887(3) 0.020 Uiso 1 1 d . U . . .
C62 C 0.5834(3) 0.8748(2) 0.9649(3) 0.0213(10) Uani 1 1 d . . . . .
H62A H 0.586(4) 0.836(2) 0.968(3) 0.026 Uiso 1 1 d . U . . .
H62B H 0.515(4) 0.888(2) 0.953(3) 0.026 Uiso 1 1 d . U . . .
C63 C 0.6359(4) 0.9019(2) 1.0434(3) 0.0261(11) Uani 1 1 d . . . . .
H63A H 0.598(4) 0.890(2) 1.089(3) 0.031 Uiso 1 1 d . U . . .
H63B H 0.632(4) 0.943(2) 1.038(3) 0.031 Uiso 1 1 d . U . . .
C64 C 0.7454(4) 0.8809(2) 1.0637(3) 0.0275(11) Uani 1 1 d . . . . .
H64A H 0.779(4) 0.899(2) 1.111(3) 0.033 Uiso 1 1 d . U . . .
H64B H 0.747(4) 0.845(3) 1.075(3) 0.033 Uiso 1 1 d . U . . .
C65 C 0.8055(4) 0.8939(2) 0.9961(3) 0.0247(10) Uani 1 1 d . . . . .
H65A H 0.814(4) 0.937(2) 0.992(3) 0.030 Uiso 1 1 d . U . . .
H65B H 0.869(4) 0.879(2) 1.005(3) 0.030 Uiso 1 1 d . U . . .
C66 C 0.7531(3) 0.8667(2) 0.9175(3) 0.0200(9) Uani 1 1 d . . . . .
H66A H 0.792(4) 0.875(2) 0.878(3) 0.024 Uiso 1 1 d . U . . .
H66B H 0.755(4) 0.827(2) 0.920(3) 0.024 Uiso 1 1 d . U . . .
Al2 Al 0.35120(10) 0.84829(7) 0.48451(9) 0.0238(3) Uani 1 1 d . . . . .
Br5 Br 0.22688(4) 0.85864(3) 0.56175(4) 0.04797(16) Uani 1 1 d . . . . .
Br6 Br 0.42442(4) 0.75676(2) 0.50509(3) 0.03212(12) Uani 1 1 d . . . . .
Br7 Br 0.29298(5) 0.86530(3) 0.35405(4) 0.05102(17) Uani 1 1 d . . . . .
Br8 Br 0.48434(3) 0.91262(2) 0.52862(3) 0.02497(11) Uani 1 1 d . . . . .


_geom_special_details            
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.3107(10) . ?
Pt1 P2 2.3118(11) . ?
Pt1 Sn2 2.5021(5) . ?
Br1 Al1 2.3642(15) . ?
Br1 Sn2 2.9564(6) . ?
P1 C21 1.838(4) . ?
P1 C31 1.839(4) . ?
P1 C11 1.852(5) . ?
Al1 Br2 2.2444(15) . ?
Al1 Br3 2.2746(15) . ?
Al1 Br4 2.2964(15) . ?
Sn2 Br8 3.1554(6) . ?
Sn2 Br6 3.2642(7) . ?
Sn2 Br4 3.6750(8) . ?
P2 C41 1.840(4) . ?
P2 C51 1.842(4) . ?
P2 C61 1.857(4) . ?
C11 C12 1.496(7) . ?
C11 C16 1.517(6) . ?
C11 H11 1.13(5) . ?
C12 C13 1.516(7) . ?
C12 H12A 1.08(6) . ?
C12 H12B 0.93(6) . ?
C13 C14 1.480(7) . ?
C13 H13A 0.81(5) . ?
C13 H13B 0.91(5) . ?
C14 C15 1.503(7) . ?
C14 H14A 1.08(6) . ?
C14 H14B 0.86(6) . ?
C15 C16 1.503(7) . ?
C15 H15A 0.95(6) . ?
C15 H15B 0.94(6) . ?
C16 H16A 1.04(5) . ?
C16 H16B 0.85(5) . ?
C21 C26 1.524(6) . ?
C21 C22 1.548(6) . ?
C21 H21 1.04(5) . ?
C22 C23 1.537(7) . ?
C22 H22A 0.90(5) . ?
C22 H22B 1.02(5) . ?
C23 C24 1.525(7) . ?
C23 H23A 1.00(6) . ?
C23 H23B 0.95(6) . ?
C24 C25 1.526(7) . ?
C24 H24A 0.94(5) . ?
C24 H24B 1.01(6) . ?
C25 C26 1.525(7) . ?
C25 H25A 1.04(5) . ?
C25 H25B 0.94(5) . ?
C26 H26A 1.04(5) . ?
C26 H26B 0.96(5) . ?
C31 C32 1.519(7) . ?
C31 C36 1.542(7) . ?
C31 H31 0.95(5) . ?
C32 C33 1.521(7) . ?
C32 H32A 0.98(5) . ?
C32 H32B 0.99(5) . ?
C33 C34 1.519(8) . ?
C33 H33A 1.00(6) . ?
C33 H33B 0.95(6) . ?
C34 C35 1.505(9) . ?
C34 H34A 1.05(6) . ?
C34 H34B 1.00(6) . ?
C35 C36 1.525(7) . ?
C35 H35A 1.08(6) . ?
C35 H35B 0.96(6) . ?
C36 H36A 0.86(5) . ?
C36 H36B 1.12(6) . ?
C41 C46 1.536(6) . ?
C41 C42 1.546(6) . ?
C41 H41 0.88(5) . ?
C42 C43 1.525(6) . ?
C42 H42A 0.98(5) . ?
C42 H42B 0.89(5) . ?
C43 C44 1.530(7) . ?
C43 H43A 0.86(6) . ?
C43 H43B 0.95(5) . ?
C44 C45 1.511(8) . ?
C44 H44A 0.95(6) . ?
C44 H44B 0.95(6) . ?
C45 C46 1.525(7) . ?
C45 H45A 0.98(5) . ?
C45 H45B 0.95(6) . ?
C46 H46A 0.88(5) . ?
C46 H46B 0.95(5) . ?
C51 C52 1.527(6) . ?
C51 C56 1.532(6) . ?
C51 H51 0.96(5) . ?
C52 C53 1.524(7) . ?
C52 H52A 1.00(5) . ?
C52 H52B 0.77(5) . ?
C53 C54 1.517(7) . ?
C53 H53A 0.82(5) . ?
C53 H53B 0.99(5) . ?
C54 C55 1.521(8) . ?
C54 H54A 1.00(6) . ?
C54 H54B 0.90(6) . ?
C55 C56 1.524(6) . ?
C55 H55A 0.97(5) . ?
C55 H55B 0.89(6) . ?
C56 H56A 0.99(5) . ?
C56 H56B 0.86(5) . ?
C61 C62 1.539(6) . ?
C61 C66 1.540(6) . ?
C61 H61 1.01(5) . ?
C62 C63 1.533(6) . ?
C62 H62A 0.89(5) . ?
C62 H62B 0.95(5) . ?
C63 C64 1.520(7) . ?
C63 H63A 1.02(5) . ?
C63 H63B 0.94(6) . ?
C64 C65 1.527(7) . ?
C64 H64A 0.95(6) . ?
C64 H64B 0.85(6) . ?
C65 C66 1.536(6) . ?
C65 H65A 0.99(5) . ?
C65 H65B 0.90(5) . ?
C66 H66A 0.92(5) . ?
C66 H66B 0.92(5) . ?
Al2 Br7 2.2612(16) . ?
Al2 Br5 2.2771(16) . ?
Al2 Br6 2.3149(16) . ?
Al2 Br8 2.3348(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 P2 158.01(4) . . ?
P1 Pt1 Sn2 93.55(3) . . ?
P2 Pt1 Sn2 106.72(3) . . ?
Al1 Br1 Sn2 100.05(4) . . ?
C21 P1 C31 107.29(19) . . ?
C21 P1 C11 111.6(2) . . ?
C31 P1 C11 104.3(2) . . ?
C21 P1 Pt1 113.20(13) . . ?
C31 P1 Pt1 116.22(15) . . ?
C11 P1 Pt1 103.89(15) . . ?
Br2 Al1 Br3 111.18(6) . . ?
Br2 Al1 Br4 111.47(6) . . ?
Br3 Al1 Br4 112.31(6) . . ?
Br2 Al1 Br1 108.67(6) . . ?
Br3 Al1 Br1 107.58(6) . . ?
Br4 Al1 Br1 105.33(6) . . ?
Pt1 Sn2 Br1 96.387(16) . . ?
Pt1 Sn2 Br8 97.523(15) . . ?
Br1 Sn2 Br8 149.952(16) . . ?
Pt1 Sn2 Br6 138.997(15) . . ?
Br1 Sn2 Br6 82.453(16) . . ?
Br8 Sn2 Br6 69.630(16) . . ?
Pt1 Sn2 Br4 128.151(16) . . ?
Br1 Sn2 Br4 66.936(16) . . ?
Br8 Sn2 Br4 121.735(18) . . ?
Br6 Sn2 Br4 89.247(17) . . ?
C41 P2 C51 106.02(19) . . ?
C41 P2 C61 106.1(2) . . ?
C51 P2 C61 107.8(2) . . ?
C41 P2 Pt1 111.34(14) . . ?
C51 P2 Pt1 120.24(14) . . ?
C61 P2 Pt1 104.53(13) . . ?
Al1 Br4 Sn2 83.16(4) . . ?
C12 C11 C16 113.4(4) . . ?
C12 C11 P1 114.1(3) . . ?
C16 C11 P1 116.8(3) . . ?
C12 C11 H11 99(3) . . ?
C16 C11 H11 111(3) . . ?
P1 C11 H11 100(3) . . ?
C11 C12 C13 113.1(4) . . ?
C11 C12 H12A 108(3) . . ?
C13 C12 H12A 109(3) . . ?
C11 C12 H12B 112(4) . . ?
C13 C12 H12B 115(4) . . ?
H12A C12 H12B 99(4) . . ?
C14 C13 C12 113.6(4) . . ?
C14 C13 H13A 106(4) . . ?
C12 C13 H13A 100(4) . . ?
C14 C13 H13B 118(3) . . ?
C12 C13 H13B 103(3) . . ?
H13A C13 H13B 116(5) . . ?
C13 C14 C15 114.4(5) . . ?
C13 C14 H14A 112(3) . . ?
C15 C14 H14A 103(3) . . ?
C13 C14 H14B 110(4) . . ?
C15 C14 H14B 106(4) . . ?
H14A C14 H14B 111(5) . . ?
C14 C15 C16 115.0(4) . . ?
C14 C15 H15A 103(3) . . ?
C16 C15 H15A 104(3) . . ?
C14 C15 H15B 118(3) . . ?
C16 C15 H15B 105(3) . . ?
H15A C15 H15B 110(5) . . ?
C15 C16 C11 113.4(4) . . ?
C15 C16 H16A 100(3) . . ?
C11 C16 H16A 105(3) . . ?
C15 C16 H16B 109(4) . . ?
C11 C16 H16B 117(4) . . ?
H16A C16 H16B 111(4) . . ?
C26 C21 C22 109.8(4) . . ?
C26 C21 P1 119.2(3) . . ?
C22 C21 P1 111.5(3) . . ?
C26 C21 H21 97(3) . . ?
C22 C21 H21 108(3) . . ?
P1 C21 H21 110(3) . . ?
C23 C22 C21 109.6(4) . . ?
C23 C22 H22A 108(3) . . ?
C21 C22 H22A 108(3) . . ?
C23 C22 H22B 110(3) . . ?
C21 C22 H22B 112(3) . . ?
H22A C22 H22B 108(4) . . ?
C24 C23 C22 111.1(4) . . ?
C24 C23 H23A 109(3) . . ?
C22 C23 H23A 107(3) . . ?
C24 C23 H23B 108(3) . . ?
C22 C23 H23B 114(3) . . ?
H23A C23 H23B 107(4) . . ?
C23 C24 C25 111.2(4) . . ?
C23 C24 H24A 107(3) . . ?
C25 C24 H24A 110(3) . . ?
C23 C24 H24B 108(3) . . ?
C25 C24 H24B 111(3) . . ?
H24A C24 H24B 111(5) . . ?
C26 C25 C24 111.0(4) . . ?
C26 C25 H25A 111(3) . . ?
C24 C25 H25A 106(3) . . ?
C26 C25 H25B 109(3) . . ?
C24 C25 H25B 108(3) . . ?
H25A C25 H25B 112(4) . . ?
C21 C26 C25 109.8(4) . . ?
C21 C26 H26A 105(3) . . ?
C25 C26 H26A 111(3) . . ?
C21 C26 H26B 103(3) . . ?
C25 C26 H26B 118(3) . . ?
H26A C26 H26B 108(4) . . ?
C32 C31 C36 109.0(4) . . ?
C32 C31 P1 113.0(3) . . ?
C36 C31 P1 110.9(3) . . ?
C32 C31 H31 101(3) . . ?
C36 C31 H31 108(3) . . ?
P1 C31 H31 114(3) . . ?
C31 C32 C33 111.9(4) . . ?
C31 C32 H32A 102(3) . . ?
C33 C32 H32A 107(3) . . ?
C31 C32 H32B 110(3) . . ?
C33 C32 H32B 110(3) . . ?
H32A C32 H32B 116(4) . . ?
C34 C33 C32 111.5(4) . . ?
C34 C33 H33A 105(3) . . ?
C32 C33 H33A 107(3) . . ?
C34 C33 H33B 111(4) . . ?
C32 C33 H33B 111(3) . . ?
H33A C33 H33B 112(5) . . ?
C35 C34 C33 111.5(5) . . ?
C35 C34 H34A 103(3) . . ?
C33 C34 H34A 110(3) . . ?
C35 C34 H34B 110(4) . . ?
C33 C34 H34B 108(4) . . ?
H34A C34 H34B 114(5) . . ?
C34 C35 C36 111.8(5) . . ?
C34 C35 H35A 116(3) . . ?
C36 C35 H35A 106(3) . . ?
C34 C35 H35B 115(4) . . ?
C36 C35 H35B 102(4) . . ?
H35A C35 H35B 104(5) . . ?
C35 C36 C31 111.8(4) . . ?
C35 C36 H36A 110(4) . . ?
C31 C36 H36A 106(4) . . ?
C35 C36 H36B 106(3) . . ?
C31 C36 H36B 113(3) . . ?
H36A C36 H36B 111(5) . . ?
C46 C41 C42 110.2(4) . . ?
C46 C41 P2 115.1(3) . . ?
C42 C41 P2 112.1(3) . . ?
C46 C41 H41 114(3) . . ?
C42 C41 H41 107(3) . . ?
P2 C41 H41 98(3) . . ?
C43 C42 C41 111.0(4) . . ?
C43 C42 H42A 109(3) . . ?
C41 C42 H42A 113(3) . . ?
C43 C42 H42B 111(3) . . ?
C41 C42 H42B 107(3) . . ?
H42A C42 H42B 106(4) . . ?
C42 C43 C44 111.7(4) . . ?
C42 C43 H43A 114(4) . . ?
C44 C43 H43A 110(4) . . ?
C42 C43 H43B 105(3) . . ?
C44 C43 H43B 112(3) . . ?
H43A C43 H43B 104(5) . . ?
C45 C44 C43 111.9(4) . . ?
C45 C44 H44A 108(3) . . ?
C43 C44 H44A 110(3) . . ?
C45 C44 H44B 106(3) . . ?
C43 C44 H44B 109(3) . . ?
H44A C44 H44B 111(5) . . ?
C44 C45 C46 111.5(4) . . ?
C44 C45 H45A 111(3) . . ?
C46 C45 H45A 107(3) . . ?
C44 C45 H45B 113(3) . . ?
C46 C45 H45B 108(3) . . ?
H45A C45 H45B 107(4) . . ?
C45 C46 C41 110.1(4) . . ?
C45 C46 H46A 113(4) . . ?
C41 C46 H46A 109(3) . . ?
C45 C46 H46B 108(3) . . ?
C41 C46 H46B 109(3) . . ?
H46A C46 H46B 107(5) . . ?
C52 C51 C56 111.3(4) . . ?
C52 C51 P2 111.6(3) . . ?
C56 C51 P2 111.0(3) . . ?
C52 C51 H51 106(3) . . ?
C56 C51 H51 110(3) . . ?
P2 C51 H51 106(3) . . ?
C53 C52 C51 111.5(4) . . ?
C53 C52 H52A 107(3) . . ?
C51 C52 H52A 112(3) . . ?
C53 C52 H52B 111(4) . . ?
C51 C52 H52B 109(4) . . ?
H52A C52 H52B 107(5) . . ?
C54 C53 C52 111.4(4) . . ?
C54 C53 H53A 112(4) . . ?
C52 C53 H53A 110(4) . . ?
C54 C53 H53B 107(3) . . ?
C52 C53 H53B 110(3) . . ?
H53A C53 H53B 106(5) . . ?
C53 C54 C55 111.2(4) . . ?
C53 C54 H54A 113(3) . . ?
C55 C54 H54A 106(3) . . ?
C53 C54 H54B 111(4) . . ?
C55 C54 H54B 107(4) . . ?
H54A C54 H54B 108(5) . . ?
C54 C55 C56 112.1(4) . . ?
C54 C55 H55A 106(3) . . ?
C56 C55 H55A 115(3) . . ?
C54 C55 H55B 109(4) . . ?
C56 C55 H55B 113(3) . . ?
H55A C55 H55B 101(5) . . ?
C55 C56 C51 110.6(4) . . ?
C55 C56 H56A 115(3) . . ?
C51 C56 H56A 108(3) . . ?
C55 C56 H56B 111(3) . . ?
C51 C56 H56B 110(3) . . ?
H56A C56 H56B 101(4) . . ?
C62 C61 C66 109.9(4) . . ?
C62 C61 P2 115.0(3) . . ?
C66 C61 P2 113.0(3) . . ?
C62 C61 H61 115(3) . . ?
C66 C61 H61 102(3) . . ?
P2 C61 H61 101(3) . . ?
C63 C62 C61 110.4(4) . . ?
C63 C62 H62A 110(3) . . ?
C61 C62 H62A 103(3) . . ?
C63 C62 H62B 110(3) . . ?
C61 C62 H62B 111(3) . . ?
H62A C62 H62B 112(4) . . ?
C64 C63 C62 111.1(4) . . ?
C64 C63 H63A 108(3) . . ?
C62 C63 H63A 109(3) . . ?
C64 C63 H63B 112(3) . . ?
C62 C63 H63B 108(3) . . ?
H63A C63 H63B 109(4) . . ?
C63 C64 C65 111.3(4) . . ?
C63 C64 H64A 111(3) . . ?
C65 C64 H64A 109(3) . . ?
C63 C64 H64B 110(4) . . ?
C65 C64 H64B 112(4) . . ?
H64A C64 H64B 104(5) . . ?
C64 C65 C66 110.7(4) . . ?
C64 C65 H65A 109(3) . . ?
C66 C65 H65A 113(3) . . ?
C64 C65 H65B 112(3) . . ?
C66 C65 H65B 106(3) . . ?
H65A C65 H65B 106(4) . . ?
C65 C66 C61 110.4(4) . . ?
C65 C66 H66A 109(3) . . ?
C61 C66 H66A 113(3) . . ?
C65 C66 H66B 111(3) . . ?
C61 C66 H66B 111(3) . . ?
H66A C66 H66B 103(4) . . ?
Br7 Al2 Br5 112.15(6) . . ?
Br7 Al2 Br6 112.04(7) . . ?
Br5 Al2 Br6 109.50(6) . . ?
Br7 Al2 Br8 109.34(6) . . ?
Br5 Al2 Br8 109.41(6) . . ?
Br6 Al2 Br8 104.09(5) . . ?
Al2 Br6 Sn2 91.77(4) . . ?
Al2 Br8 Sn2 94.18(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
C21 P1 C11 C12 88.8(4) . . . . ?
C31 P1 C11 C12 -155.7(4) . . . . ?
Pt1 P1 C11 C12 -33.6(5) . . . . ?
C21 P1 C11 C16 -46.7(4) . . . . ?
C31 P1 C11 C16 68.8(4) . . . . ?
Pt1 P1 C11 C16 -169.0(4) . . . . ?
C16 C11 C12 C13 -49.9(7) . . . . ?
P1 C11 C12 C13 173.2(4) . . . . ?
C11 C12 C13 C14 50.0(7) . . . . ?
C12 C13 C14 C15 -47.1(8) . . . . ?
C13 C14 C15 C16 44.9(8) . . . . ?
C14 C15 C16 C11 -44.5(7) . . . . ?
C12 C11 C16 C15 47.2(7) . . . . ?
P1 C11 C16 C15 -177.1(4) . . . . ?
C31 P1 C21 C26 -48.2(4) . . . . ?
C11 P1 C21 C26 65.5(4) . . . . ?
Pt1 P1 C21 C26 -177.7(3) . . . . ?
C31 P1 C21 C22 -177.9(3) . . . . ?
C11 P1 C21 C22 -64.2(4) . . . . ?
Pt1 P1 C21 C22 52.6(3) . . . . ?
C26 C21 C22 C23 58.8(5) . . . . ?
P1 C21 C22 C23 -166.7(3) . . . . ?
C21 C22 C23 C24 -56.5(6) . . . . ?
C22 C23 C24 C25 55.3(6) . . . . ?
C23 C24 C25 C26 -56.1(6) . . . . ?
C22 C21 C26 C25 -59.8(5) . . . . ?
P1 C21 C26 C25 169.7(3) . . . . ?
C24 C25 C26 C21 58.5(5) . . . . ?
C21 P1 C31 C32 -47.1(4) . . . . ?
C11 P1 C31 C32 -165.6(3) . . . . ?
Pt1 P1 C31 C32 80.7(3) . . . . ?
C21 P1 C31 C36 -169.8(3) . . . . ?
C11 P1 C31 C36 71.6(4) . . . . ?
Pt1 P1 C31 C36 -42.0(4) . . . . ?
C36 C31 C32 C33 -56.4(5) . . . . ?
P1 C31 C32 C33 179.8(3) . . . . ?
C31 C32 C33 C34 56.5(6) . . . . ?
C32 C33 C34 C35 -54.3(7) . . . . ?
C33 C34 C35 C36 53.8(7) . . . . ?
C34 C35 C36 C31 -55.2(7) . . . . ?
C32 C31 C36 C35 55.7(6) . . . . ?
P1 C31 C36 C35 -179.3(4) . . . . ?
C51 P2 C41 C46 57.1(4) . . . . ?
C61 P2 C41 C46 -57.3(4) . . . . ?
Pt1 P2 C41 C46 -170.5(3) . . . . ?
C51 P2 C41 C42 -175.9(3) . . . . ?
C61 P2 C41 C42 69.7(3) . . . . ?
Pt1 P2 C41 C42 -43.5(3) . . . . ?
C46 C41 C42 C43 -56.5(5) . . . . ?
P2 C41 C42 C43 173.9(3) . . . . ?
C41 C42 C43 C44 54.0(5) . . . . ?
C42 C43 C44 C45 -53.4(6) . . . . ?
C43 C44 C45 C46 55.3(6) . . . . ?
C44 C45 C46 C41 -57.6(6) . . . . ?
C42 C41 C46 C45 57.9(5) . . . . ?
P2 C41 C46 C45 -174.1(3) . . . . ?
C41 P2 C51 C52 51.3(4) . . . . ?
C61 P2 C51 C52 164.6(3) . . . . ?
Pt1 P2 C51 C52 -75.9(3) . . . . ?
C41 P2 C51 C56 176.1(3) . . . . ?
C61 P2 C51 C56 -70.7(4) . . . . ?
Pt1 P2 C51 C56 48.8(4) . . . . ?
C56 C51 C52 C53 55.1(5) . . . . ?
P2 C51 C52 C53 179.7(3) . . . . ?
C51 C52 C53 C54 -55.1(6) . . . . ?
C52 C53 C54 C55 54.8(6) . . . . ?
C53 C54 C55 C56 -55.4(6) . . . . ?
C54 C55 C56 C51 55.2(6) . . . . ?
C52 C51 C56 C55 -54.7(5) . . . . ?
P2 C51 C56 C55 -179.7(3) . . . . ?
C41 P2 C61 C62 84.6(4) . . . . ?
C51 P2 C61 C62 -28.6(4) . . . . ?
Pt1 P2 C61 C62 -157.6(3) . . . . ?
C41 P2 C61 C66 -148.2(3) . . . . ?
C51 P2 C61 C66 98.6(3) . . . . ?
Pt1 P2 C61 C66 -30.4(3) . . . . ?
C66 C61 C62 C63 57.8(5) . . . . ?
P2 C61 C62 C63 -173.5(3) . . . . ?
C61 C62 C63 C64 -57.1(6) . . . . ?
C62 C63 C64 C65 56.2(6) . . . . ?
C63 C64 C65 C66 -56.1(6) . . . . ?
C64 C65 C66 C61 57.1(5) . . . . ?
C62 C61 C66 C65 -58.0(5) . . . . ?
P2 C61 C66 C65 172.2(3) . . . . ?

_refine_diff_density_max         1.292
_refine_diff_density_min         -1.415
_refine_diff_density_rms         0.130

_shelxl_version_number           2014-2

_database_code_depnum_ccdc_archive 'CCDC 1023367'
#######################################################################
#
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#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
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data_16



_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H66 Br3 P2 Pt Sn, C16 H36 N, C4 H8 O'

_chemical_formula_sum            'C56 H110 Br3 N O P2 Pt Sn'
_chemical_formula_weight         1428.89

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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.687(3)
_cell_length_b                   20.715(4)
_cell_length_c                   21.567(3)
_cell_angle_alpha                75.297(9)
_cell_angle_beta                 82.231(8)
_cell_angle_gamma                78.538(11)
_cell_volume                     6617(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_F_000             2896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    4.383
_shelx_estimated_absorpt_T_min   0.474
_shelx_estimated_absorpt_T_max   0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5980
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
  The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            ?
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         2.269
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             27011
_reflns_number_gt                23380
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
  Data were apparently pre-merged, so _diffrn_reflns_number
  etc. will have to be added later.

  Reflections were merged by SHELXL according to the crystal
  class for the calculation of statistics and refinement.

  _reflns_Friedel_fraction is defined as the number of unique
  Friedel pairs measured divided by the number that would be
  possible theoretically, ignoring centric projections and
  systematic absences.
;

_computing_data_collection       'APEX2 ver. 2012.4-3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.18C (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.18C (Bruker AXS)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
  ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0239P)²+7.9781P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         27011
_refine_ls_number_parameters     1179
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0568
_refine_ls_wR_factor_gt          0.0545
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.006
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.01976(2) 0.70141(2) 0.69249(2) 0.01111(3) Uani 1 1 d . . . . .
Sn1 Sn -0.08353(2) 0.68893(2) 0.79847(2) 0.01761(4) Uani 1 1 d . . . . .
Br1 Br -0.25222(2) 0.67409(2) 0.80870(2) 0.02868(7) Uani 1 1 d . . . . .
P1 P 0.12199(4) 0.76481(3) 0.69320(3) 0.01149(12) Uani 1 1 d . . . . .
Br2 Br -0.02876(2) 0.57573(2) 0.88538(2) 0.03204(7) Uani 1 1 d . . . . .
P2 P -0.04695(4) 0.65723(3) 0.63041(3) 0.01103(12) Uani 1 1 d . . . . .
Br3 Br -0.11667(2) 0.77672(2) 0.87693(2) 0.02943(7) Uani 1 1 d . . . . .
C11 C 0.14786(18) 0.78535(14) 0.76740(12) 0.0175(5) Uani 1 1 d . . . . .
H11 H 0.1048 0.8265 0.7731 0.021 Uiso 1 1 calc R U . . .
C12 C 0.1337(2) 0.72986(15) 0.82870(13) 0.0261(6) Uani 1 1 d . . . . .
H12A H 0.0749 0.7182 0.8311 0.031 Uiso 1 1 calc R U . . .
H12B H 0.1775 0.6886 0.8270 0.031 Uiso 1 1 calc R U . . .
C13 C 0.23868(19) 0.80380(15) 0.76503(14) 0.0247(6) Uani 1 1 d . . . . .
H13A H 0.2840 0.7639 0.7613 0.030 Uiso 1 1 calc R U . . .
H13B H 0.2475 0.8406 0.7265 0.030 Uiso 1 1 calc R U . . .
C14 C 0.1421(2) 0.75441(18) 0.88860(14) 0.0344(8) Uani 1 1 d . . . . .
H14A H 0.0964 0.7944 0.8913 0.041 Uiso 1 1 calc R U . . .
H14B H 0.1331 0.7182 0.9276 0.041 Uiso 1 1 calc R U . . .
C15 C 0.2315(2) 0.77317(18) 0.88626(15) 0.0363(8) Uani 1 1 d . . . . .
H15A H 0.2770 0.7323 0.8875 0.044 Uiso 1 1 calc R U . . .
H15B H 0.2345 0.7907 0.9244 0.044 Uiso 1 1 calc R U . . .
C16 C 0.2489(2) 0.82681(17) 0.82526(15) 0.0331(7) Uani 1 1 d . . . . .
H16A H 0.3089 0.8360 0.8232 0.040 Uiso 1 1 calc R U . . .
H16B H 0.2076 0.8694 0.8266 0.040 Uiso 1 1 calc R U . . .
C21 C 0.22699(17) 0.73869(14) 0.58251(13) 0.0187(6) Uani 1 1 d . . . . .
H21A H 0.1860 0.7099 0.5777 0.022 Uiso 1 1 calc R U . . .
H21B H 0.2054 0.7860 0.5600 0.022 Uiso 1 1 calc R U . . .
C22 C 0.23048(16) 0.73485(13) 0.65427(12) 0.0159(5) Uani 1 1 d . . . . .
H22 H 0.2714 0.7649 0.6577 0.019 Uiso 1 1 calc R U . . .
C23 C 0.31751(19) 0.71471(15) 0.55244(14) 0.0246(6) Uani 1 1 d . . . . .
H23A H 0.3573 0.7454 0.5549 0.030 Uiso 1 1 calc R U . . .
H23B H 0.3143 0.7167 0.5064 0.030 Uiso 1 1 calc R U . . .
C24 C 0.26669(18) 0.66213(14) 0.68931(14) 0.0214(6) Uani 1 1 d . . . . .
H24A H 0.2714 0.6608 0.7349 0.026 Uiso 1 1 calc R U . . .
H24B H 0.2257 0.6319 0.6882 0.026 Uiso 1 1 calc R U . . .
C25 C 0.35423(19) 0.64250(15) 0.58657(15) 0.0266(7) Uani 1 1 d . . . . .
H25A H 0.3176 0.6111 0.5806 0.032 Uiso 1 1 calc R U . . .
H25B H 0.4141 0.6292 0.5673 0.032 Uiso 1 1 calc R U . . .
C26 C 0.35653(19) 0.63654(15) 0.65826(15) 0.0258(6) Uani 1 1 d . . . . .
H26A H 0.3993 0.6632 0.6643 0.031 Uiso 1 1 calc R U . . .
H26B H 0.3760 0.5886 0.6798 0.031 Uiso 1 1 calc R U . . .
C31 C -0.00554(17) 0.88135(13) 0.65981(13) 0.0177(5) Uani 1 1 d . . . . .
H31A H -0.0453 0.8479 0.6684 0.021 Uiso 1 1 calc R U . . .
H31B H -0.0048 0.8959 0.7001 0.021 Uiso 1 1 calc R U . . .
C32 C 0.08703(16) 0.84842(12) 0.63888(12) 0.0138(5) Uani 1 1 d . . . . .
H32 H 0.0824 0.8384 0.5966 0.017 Uiso 1 1 calc R U . . .
C33 C 0.14902(17) 0.90061(13) 0.62384(13) 0.0171(5) Uani 1 1 d . . . . .
H33A H 0.1522 0.9163 0.6631 0.021 Uiso 1 1 calc R U . . .
H33B H 0.2084 0.8792 0.6102 0.021 Uiso 1 1 calc R U . . .
C34 C 0.02319(18) 0.99408(13) 0.58935(14) 0.0214(6) Uani 1 1 d . . . . .
H34A H 0.0238 1.0139 0.6265 0.026 Uiso 1 1 calc R U . . .
H34B H 0.0019 1.0312 0.5530 0.026 Uiso 1 1 calc R U . . .
C35 C 0.11602(17) 0.96109(13) 0.57037(14) 0.0207(6) Uani 1 1 d . . . . .
H35A H 0.1554 0.9948 0.5618 0.025 Uiso 1 1 calc R U . . .
H35B H 0.1167 0.9458 0.5304 0.025 Uiso 1 1 calc R U . . .
C36 C -0.03880(17) 0.94263(13) 0.60716(14) 0.0209(6) Uani 1 1 d . . . . .
H36A H -0.0452 0.9272 0.5684 0.025 Uiso 1 1 calc R U . . .
H36B H -0.0971 0.9647 0.6223 0.025 Uiso 1 1 calc R U . . .
C41 C -0.19682(17) 0.75754(13) 0.62386(12) 0.0175(5) Uani 1 1 d . . . . .
H41A H -0.2290 0.7221 0.6506 0.021 Uiso 1 1 calc R U . . .
H41B H -0.1719 0.7773 0.6531 0.021 Uiso 1 1 calc R U . . .
C42 C -0.12256(16) 0.72523(12) 0.58142(12) 0.0134(5) Uani 1 1 d . . . . .
H42 H -0.1492 0.7044 0.5533 0.016 Uiso 1 1 calc R U . . .
C43 C -0.07489(17) 0.78040(13) 0.53770(13) 0.0183(6) Uani 1 1 d . . . . .
H43A H -0.0468 0.8011 0.5645 0.022 Uiso 1 1 calc R U . . .
H43B H -0.0285 0.7597 0.5092 0.022 Uiso 1 1 calc R U . . .
C44 C -0.26019(17) 0.81289(14) 0.58321(13) 0.0209(6) Uani 1 1 d . . . . .
H44A H -0.2899 0.7922 0.5574 0.025 Uiso 1 1 calc R U . . .
H44B H -0.3054 0.8343 0.6120 0.025 Uiso 1 1 calc R U . . .
C45 C -0.21297(18) 0.86683(13) 0.53841(14) 0.0211(6) Uani 1 1 d . . . . .
H45A H -0.1899 0.8916 0.5643 0.025 Uiso 1 1 calc R U . . .
H45B H -0.2548 0.8998 0.5104 0.025 Uiso 1 1 calc R U . . .
C46 C -0.13795(18) 0.83543(14) 0.49668(13) 0.0228(6) Uani 1 1 d . . . . .
H46A H -0.1059 0.8712 0.4704 0.027 Uiso 1 1 calc R U . . .
H46B H -0.1618 0.8156 0.4669 0.027 Uiso 1 1 calc R U . . .
C51 C -0.11920(17) 0.59529(13) 0.67144(12) 0.0154(5) Uani 1 1 d . . . . .
H51 H -0.1568 0.6168 0.7046 0.018 Uiso 1 1 calc R U . . .
C52 C -0.06908(19) 0.52909(14) 0.71041(14) 0.0226(6) Uani 1 1 d . . . . .
H52A H -0.0344 0.5023 0.6807 0.027 Uiso 1 1 calc R U . . .
H52B H -0.0283 0.5397 0.7362 0.027 Uiso 1 1 calc R U . . .
C53 C -0.18361(18) 0.57936(14) 0.63257(13) 0.0214(6) Uani 1 1 d . . . . .
H53A H -0.1514 0.5528 0.6019 0.026 Uiso 1 1 calc R U . . .
H53B H -0.2156 0.6221 0.6076 0.026 Uiso 1 1 calc R U . . .
C54 C -0.1332(2) 0.48784(15) 0.75498(15) 0.0291(7) Uani 1 1 d . . . . .
H54A H -0.1632 0.5129 0.7875 0.035 Uiso 1 1 calc R U . . .
H54B H -0.1006 0.4443 0.7780 0.035 Uiso 1 1 calc R U . . .
C55 C -0.2484(2) 0.53897(15) 0.67764(15) 0.0267(6) Uani 1 1 d . . . . .
H55A H -0.2834 0.5669 0.7063 0.032 Uiso 1 1 calc R U . . .
H55B H -0.2889 0.5280 0.6519 0.032 Uiso 1 1 calc R U . . .
C56 C -0.2014(2) 0.47362(16) 0.71827(16) 0.0327(7) Uani 1 1 d . . . . .
H56A H -0.1725 0.4432 0.6900 0.039 Uiso 1 1 calc R U . . .
H56B H -0.2445 0.4503 0.7492 0.039 Uiso 1 1 calc R U . . .
C61 C 0.03009(16) 0.62361(12) 0.56805(12) 0.0130(5) Uani 1 1 d . . . . .
H61 H 0.0560 0.6634 0.5419 0.016 Uiso 1 1 calc R U . . .
C62 C 0.10849(17) 0.57180(13) 0.59561(12) 0.0170(5) Uani 1 1 d . . . . .
H62A H 0.1337 0.5894 0.6264 0.020 Uiso 1 1 calc R U . . .
H62B H 0.0888 0.5289 0.6191 0.020 Uiso 1 1 calc R U . . .
C63 C -0.00812(17) 0.59791(13) 0.51904(13) 0.0172(5) Uani 1 1 d . . . . .
H63A H -0.0572 0.6324 0.5006 0.021 Uiso 1 1 calc R U . . .
H63B H -0.0313 0.5560 0.5410 0.021 Uiso 1 1 calc R U . . .
C64 C 0.06125(17) 0.58326(14) 0.46470(13) 0.0184(5) Uani 1 1 d . . . . .
H64A H 0.0358 0.5639 0.4354 0.022 Uiso 1 1 calc R U . . .
H64B H 0.0794 0.6262 0.4395 0.022 Uiso 1 1 calc R U . . .
C65 C 0.17822(17) 0.55845(14) 0.54121(13) 0.0202(6) Uani 1 1 d . . . . .
H65A H 0.2012 0.6007 0.5201 0.024 Uiso 1 1 calc R U . . .
H65B H 0.2273 0.5239 0.5595 0.024 Uiso 1 1 calc R U . . .
C66 C 0.14122(18) 0.53381(14) 0.49120(13) 0.0201(6) Uani 1 1 d . . . . .
H66A H 0.1248 0.4889 0.5111 0.024 Uiso 1 1 calc R U . . .
H66B H 0.1867 0.5286 0.4554 0.024 Uiso 1 1 calc R U . . .
N140 N 0.45418(15) 0.14641(12) 0.08460(11) 0.0204(5) Uani 1 1 d . . . . .
C141 C 0.3898(2) 0.16379(15) 0.13974(13) 0.0241(6) Uani 1 1 d . . . . .
H14C H 0.4175 0.1883 0.1632 0.029 Uiso 1 1 calc R U . . .
H14D H 0.3382 0.1951 0.1214 0.029 Uiso 1 1 calc R U . . .
C142 C 0.3587(2) 0.10389(16) 0.18760(15) 0.0318(7) Uani 1 1 d . . . . .
H14E H 0.3251 0.0819 0.1658 0.038 Uiso 1 1 calc R U . . .
H14F H 0.4099 0.0703 0.2038 0.038 Uiso 1 1 calc R U . . .
C143 C 0.3021(2) 0.12578(18) 0.24359(15) 0.0359(8) Uani 1 1 d . . . . .
H14G H 0.3375 0.1447 0.2670 0.043 Uiso 1 1 calc R U . . .
H14H H 0.2541 0.1624 0.2267 0.043 Uiso 1 1 calc R U . . .
C144 C 0.2634(3) 0.0695(2) 0.29005(17) 0.0483(10) Uani 1 1 d . . . . .
H14I H 0.2334 0.0857 0.3276 0.072 Uiso 1 1 calc R U . . .
H14J H 0.3100 0.0313 0.3039 0.072 Uiso 1 1 calc R U . . .
H14K H 0.2215 0.0549 0.2689 0.072 Uiso 1 1 calc R U . . .
C145 C 0.4186(2) 0.10356(15) 0.04921(14) 0.0247(6) Uani 1 1 d . . . . .
H14L H 0.4637 0.0918 0.0152 0.030 Uiso 1 1 calc R U . . .
H14M H 0.4090 0.0607 0.0801 0.030 Uiso 1 1 calc R U . . .
C146 C 0.3342(2) 0.13643(16) 0.01852(15) 0.0296(7) Uani 1 1 d . . . . .
H14N H 0.3472 0.1677 -0.0233 0.036 Uiso 1 1 calc R U . . .
H14O H 0.2957 0.1631 0.0467 0.036 Uiso 1 1 calc R U . . .
C147 C 0.2878(2) 0.08211(18) 0.00813(16) 0.0362(8) Uani 1 1 d . . . . .
H14P H 0.2432 0.1038 -0.0226 0.043 Uiso 1 1 calc R U . . .
H14Q H 0.3308 0.0493 -0.0113 0.043 Uiso 1 1 calc R U . . .
C148 C 0.2441(3) 0.0444(2) 0.06986(19) 0.0487(10) Uani 1 1 d . . . . .
H14R H 0.2109 0.0135 0.0600 0.073 Uiso 1 1 calc R U . . .
H14S H 0.2044 0.0770 0.0910 0.073 Uiso 1 1 calc R U . . .
H14T H 0.2886 0.0185 0.0986 0.073 Uiso 1 1 calc R U . . .
C149 C 0.53854(19) 0.10578(15) 0.11146(13) 0.0231(6) Uani 1 1 d . . . . .
H14U H 0.5517 0.1262 0.1451 0.028 Uiso 1 1 calc R U . . .
H14V H 0.5283 0.0593 0.1327 0.028 Uiso 1 1 calc R U . . .
C150 C 0.61867(19) 0.10056(16) 0.06378(14) 0.0265(6) Uani 1 1 d . . . . .
H15C H 0.6366 0.1455 0.0477 0.032 Uiso 1 1 calc R U . . .
H15D H 0.6046 0.0861 0.0266 0.032 Uiso 1 1 calc R U . . .
C151 C 0.6935(2) 0.04957(16) 0.09586(14) 0.0281(7) Uani 1 1 d . . . . .
H15E H 0.6988 0.0590 0.1378 0.034 Uiso 1 1 calc R U . . .
H15F H 0.6793 0.0035 0.1044 0.034 Uiso 1 1 calc R U . . .
C152 C 0.7801(2) 0.0514(2) 0.05574(17) 0.0408(8) Uani 1 1 d . . . . .
H15G H 0.8239 0.0142 0.0763 0.061 Uiso 1 1 calc R U . . .
H15H H 0.7987 0.0947 0.0523 0.061 Uiso 1 1 calc R U . . .
H15I H 0.7739 0.0464 0.0127 0.061 Uiso 1 1 calc R U . . .
C153 C 0.4699(2) 0.21150(15) 0.03682(13) 0.0251(6) Uani 1 1 d . . . . .
H15J H 0.5130 0.1999 0.0016 0.030 Uiso 1 1 calc R U . . .
H15K H 0.4146 0.2341 0.0177 0.030 Uiso 1 1 calc R U . . .
C154 C 0.5024(2) 0.26091(15) 0.06489(14) 0.0262(6) Uani 1 1 d . . . . .
H15L H 0.5488 0.2362 0.0932 0.031 Uiso 1 1 calc R U . . .
H15M H 0.4539 0.2823 0.0914 0.031 Uiso 1 1 calc R U . . .
C155 C 0.5383(2) 0.31561(17) 0.01224(16) 0.0361(8) Uani 1 1 d . . . . .
H15N H 0.5919 0.2947 -0.0102 0.043 Uiso 1 1 calc R U . . .
H15O H 0.4949 0.3356 -0.0197 0.043 Uiso 1 1 calc R U . . .
C156 C 0.5595(2) 0.37124(18) 0.03826(19) 0.0439(9) Uani 1 1 d . . . . .
H15P H 0.5812 0.4056 0.0026 0.066 Uiso 1 1 calc R U . . .
H15Q H 0.6043 0.3521 0.0686 0.066 Uiso 1 1 calc R U . . .
H15R H 0.5066 0.3922 0.0605 0.066 Uiso 1 1 calc R U . . .
Pt71 Pt 0.53141(2) 0.20936(2) 0.68027(2) 0.01201(3) Uani 1 1 d . . . . .
Sn71 Sn 0.43515(2) 0.19217(2) 0.78972(2) 0.01818(4) Uani 1 1 d . . . . .
Br71 Br 0.26243(2) 0.18040(2) 0.80938(2) 0.04089(9) Uani 1 1 d . . . . .
P71 P 0.64206(4) 0.25639(3) 0.69790(3) 0.01207(12) Uani 1 1 d . . . . .
Br72 Br 0.49108(2) 0.07893(2) 0.87819(2) 0.03353(7) Uani 1 1 d . . . . .
P72 P 0.45996(4) 0.17291(3) 0.61456(3) 0.01197(12) Uani 1 1 d . . . . .
Br73 Br 0.42198(2) 0.28010(2) 0.86528(2) 0.02334(6) Uani 1 1 d . . . . .
C81 C 0.66697(18) 0.24774(13) 0.78159(12) 0.0175(5) Uani 1 1 d . . . . .
H81 H 0.6112 0.2672 0.8037 0.021 Uiso 1 1 calc R U . . .
C82 C 0.6875(2) 0.17443(15) 0.81879(14) 0.0281(7) Uani 1 1 d . . . . .
H82A H 0.7454 0.1532 0.8021 0.034 Uiso 1 1 calc R U . . .
H82B H 0.6433 0.1491 0.8125 0.034 Uiso 1 1 calc R U . . .
C83 C 0.7347(3) 0.2868(2) 0.79136(15) 0.0410(9) Uani 1 1 d . . . . .
H83A H 0.7204 0.3347 0.7680 0.049 Uiso 1 1 calc R U . . .
H83B H 0.7930 0.2676 0.7735 0.049 Uiso 1 1 calc R U . . .
C84 C 0.6878(2) 0.17045(18) 0.89064(14) 0.0357(8) Uani 1 1 d . . . . .
H84A H 0.6288 0.1890 0.9079 0.043 Uiso 1 1 calc R U . . .
H84B H 0.7026 0.1225 0.9140 0.043 Uiso 1 1 calc R U . . .
C85 C 0.7370(3) 0.2828(2) 0.86359(15) 0.0461(10) Uani 1 1 d . . . . .
H85A H 0.7836 0.3063 0.8691 0.055 Uiso 1 1 calc R U . . .
H85B H 0.6806 0.3062 0.8803 0.055 Uiso 1 1 calc R U . . .
C86 C 0.7536(2) 0.2101(2) 0.90177(15) 0.0406(9) Uani 1 1 d . . . . .
H86A H 0.7500 0.2092 0.9482 0.049 Uiso 1 1 calc R U . . .
H86B H 0.8133 0.1884 0.8890 0.049 Uiso 1 1 calc R U . . .
C91 C 0.74188(17) 0.22563(12) 0.65031(12) 0.0151(5) Uani 1 1 d . . . . .
H91 H 0.7239 0.2347 0.6057 0.018 Uiso 1 1 calc R U . . .
C92 C 0.77038(18) 0.14848(13) 0.66956(14) 0.0223(6) Uani 1 1 d . . . . .
H92A H 0.7987 0.1357 0.7103 0.027 Uiso 1 1 calc R U . . .
H92B H 0.7187 0.1260 0.6765 0.027 Uiso 1 1 calc R U . . .
C93 C 0.88823(19) 0.23654(14) 0.59006(15) 0.0245(6) Uani 1 1 d . . . . .
H93A H 0.8629 0.2528 0.5481 0.029 Uiso 1 1 calc R U . . .
H93B H 0.9410 0.2571 0.5867 0.029 Uiso 1 1 calc R U . . .
C94 C 0.82200(17) 0.25965(13) 0.64213(14) 0.0206(6) Uani 1 1 d . . . . .
H94A H 0.8041 0.3095 0.6300 0.025 Uiso 1 1 calc R U . . .
H94B H 0.8490 0.2477 0.6834 0.025 Uiso 1 1 calc R U . . .
C95 C 0.91424(19) 0.15995(14) 0.60420(15) 0.0264(7) Uani 1 1 d . . . . .
H95A H 0.9478 0.1443 0.6426 0.032 Uiso 1 1 calc R U . . .
H95B H 0.9525 0.1470 0.5673 0.032 Uiso 1 1 calc R U . . .
C96 C 0.8346(2) 0.12514(14) 0.61616(16) 0.0288(7) Uani 1 1 d . . . . .
H96A H 0.8534 0.0754 0.6287 0.035 Uiso 1 1 calc R U . . .
H96B H 0.8051 0.1360 0.5760 0.035 Uiso 1 1 calc R U . . .
C101 C 0.62387(17) 0.34913(12) 0.66483(12) 0.0156(5) Uani 1 1 d . . . . .
H101 H 0.6741 0.3673 0.6741 0.019 Uiso 1 1 calc R U . . .
C102 C 0.6193(2) 0.36691(13) 0.59183(13) 0.0233(6) Uani 1 1 d . . . . .
H10A H 0.5729 0.3462 0.5817 0.028 Uiso 1 1 calc R U . . .
H10B H 0.6755 0.3477 0.5710 0.028 Uiso 1 1 calc R U . . .
C103 C 0.54009(19) 0.38240(14) 0.69802(15) 0.0248(6) Uani 1 1 d . . . . .
H10C H 0.4901 0.3629 0.6918 0.030 Uiso 1 1 calc R U . . .
H10D H 0.5456 0.3728 0.7448 0.030 Uiso 1 1 calc R U . . .
C104 C 0.5230(2) 0.45904(14) 0.67057(16) 0.0299(7) Uani 1 1 d . . . . .
H10E H 0.4677 0.4791 0.6918 0.036 Uiso 1 1 calc R U . . .
H10F H 0.5708 0.4790 0.6799 0.036 Uiso 1 1 calc R U . . .
C105 C 0.6004(2) 0.44371(14) 0.56453(15) 0.0295(7) Uani 1 1 d . . . . .
H10G H 0.6502 0.4639 0.5701 0.035 Uiso 1 1 calc R U . . .
H10H H 0.5941 0.4532 0.5179 0.035 Uiso 1 1 calc R U . . .
C106 C 0.5170(2) 0.47619(15) 0.59838(17) 0.0343(8) Uani 1 1 d . . . . .
H10I H 0.5081 0.5260 0.5817 0.041 Uiso 1 1 calc R U . . .
H10J H 0.4662 0.4596 0.5891 0.041 Uiso 1 1 calc R U . . .
C111 C 0.39280(16) 0.24306(12) 0.56065(12) 0.0132(5) Uani 1 1 d . . . . .
H111 H 0.3544 0.2227 0.5403 0.016 Uiso 1 1 calc R U . . .
C112 C 0.33336(18) 0.28931(14) 0.60038(13) 0.0204(6) Uani 1 1 d . . . . .
H11A H 0.2959 0.2623 0.6334 0.024 Uiso 1 1 calc R U . . .
H11B H 0.3698 0.3084 0.6229 0.024 Uiso 1 1 calc R U . . .
C113 C 0.44710(17) 0.28506(13) 0.50644(12) 0.0175(5) Uani 1 1 d . . . . .
H11C H 0.4878 0.3040 0.5254 0.021 Uiso 1 1 calc R U . . .
H11D H 0.4823 0.2553 0.4795 0.021 Uiso 1 1 calc R U . . .
C114 C 0.38890(18) 0.34275(14) 0.46433(13) 0.0210(6) Uani 1 1 d . . . . .
H11E H 0.4259 0.3701 0.4313 0.025 Uiso 1 1 calc R U . . .
H11F H 0.3524 0.3236 0.4419 0.025 Uiso 1 1 calc R U . . .
C115 C 0.27570(19) 0.34716(15) 0.55744(14) 0.0252(6) Uani 1 1 d . . . . .
H11G H 0.2350 0.3282 0.5385 0.030 Uiso 1 1 calc R U . . .
H11H H 0.2405 0.3773 0.5839 0.030 Uiso 1 1 calc R U . . .
C116 C 0.3302(2) 0.38812(14) 0.50373(14) 0.0249(6) Uani 1 1 d . . . . .
H11I H 0.2910 0.4234 0.4754 0.030 Uiso 1 1 calc R U . . .
H11J H 0.3664 0.4111 0.5225 0.030 Uiso 1 1 calc R U . . .
C131 C 0.53671(17) 0.13200(13) 0.55705(12) 0.0151(5) Uani 1 1 d . . . . .
H131 H 0.5661 0.1691 0.5290 0.018 Uiso 1 1 calc R U . . .
C132 C 0.61117(18) 0.07867(14) 0.58820(13) 0.0199(6) Uani 1 1 d . . . . .
H13C H 0.6374 0.0972 0.6177 0.024 Uiso 1 1 calc R U . . .
H13D H 0.5876 0.0381 0.6138 0.024 Uiso 1 1 calc R U . . .
C133 C 0.49639(17) 0.10434(14) 0.51034(12) 0.0177(5) Uani 1 1 d . . . . .
H13E H 0.4499 0.1396 0.4893 0.021 Uiso 1 1 calc R U . . .
H13F H 0.4695 0.0648 0.5345 0.021 Uiso 1 1 calc R U . . .
C134 C 0.68134(18) 0.05850(14) 0.53686(14) 0.0212(6) Uani 1 1 d . . . . .
H13G H 0.7080 0.0983 0.5134 0.025 Uiso 1 1 calc R U . . .
H13H H 0.7278 0.0231 0.5577 0.025 Uiso 1 1 calc R U . . .
C135 C 0.64188(18) 0.03165(14) 0.48947(14) 0.0221(6) Uani 1 1 d . . . . .
H13I H 0.6876 0.0211 0.4553 0.027 Uiso 1 1 calc R U . . .
H13J H 0.6206 -0.0108 0.5123 0.027 Uiso 1 1 calc R U . . .
C136 C 0.56653(18) 0.08307(14) 0.45888(13) 0.0213(6) Uani 1 1 d . . . . .
H13K H 0.5401 0.0631 0.4306 0.026 Uiso 1 1 calc R U . . .
H13L H 0.5890 0.1236 0.4320 0.026 Uiso 1 1 calc R U . . .
N160 N 0.90209(16) 0.65196(13) 0.08490(11) 0.0246(5) Uani 1 1 d . . . . .
C161 C 0.9157(2) 0.71436(16) 0.10342(15) 0.0308(7) Uani 1 1 d . . . . .
H16C H 0.9653 0.7015 0.1306 0.037 Uiso 1 1 calc R U . . .
H16D H 0.8630 0.7301 0.1301 0.037 Uiso 1 1 calc R U . . .
C162 C 0.9339(2) 0.77337(17) 0.04786(16) 0.0360(8) Uani 1 1 d . . . . .
H16E H 0.9800 0.7569 0.0166 0.043 Uiso 1 1 calc R U . . .
H16F H 0.8803 0.7932 0.0254 0.043 Uiso 1 1 calc R U . . .
C163 C 0.9629(3) 0.8270(2) 0.07228(19) 0.0452(9) Uani 1 1 d . . . . .
H16G H 1.0151 0.8063 0.0960 0.054 Uiso 1 1 calc R U . . .
H16H H 0.9160 0.8437 0.1029 0.054 Uiso 1 1 calc R U . . .
C164 C 0.9846(3) 0.8869(2) 0.0188(2) 0.0575(11) Uani 1 1 d . . . . .
H16I H 1.0031 0.9198 0.0375 0.086 Uiso 1 1 calc R U . . .
H16J H 0.9327 0.9085 -0.0042 0.086 Uiso 1 1 calc R U . . .
H16K H 1.0318 0.8710 -0.0112 0.086 Uiso 1 1 calc R U . . .
C165 C 0.8077(2) 0.60869(16) 0.18859(14) 0.0294(7) Uani 1 1 d . . . . .
H16L H 0.7569 0.6134 0.1641 0.035 Uiso 1 1 calc R U . . .
H16M H 0.8040 0.6512 0.2025 0.035 Uiso 1 1 calc R U . . .
C166 C 0.7218(2) 0.5586(2) 0.29088(16) 0.0442(9) Uani 1 1 d . . . . .
H16N H 0.7221 0.5193 0.3276 0.066 Uiso 1 1 calc R U . . .
H16O H 0.6718 0.5626 0.2666 0.066 Uiso 1 1 calc R U . . .
H16P H 0.7172 0.5997 0.3065 0.066 Uiso 1 1 calc R U . . .
C167 C 0.8920(2) 0.59635(16) 0.14590(14) 0.0282(7) Uani 1 1 d . . . . .
H16Q H 0.8951 0.5531 0.1334 0.034 Uiso 1 1 calc R U . . .
H16R H 0.9419 0.5911 0.1714 0.034 Uiso 1 1 calc R U . . .
C168 C 0.8060(2) 0.54931(19) 0.24745(15) 0.0379(8) Uani 1 1 d . . . . .
H16S H 0.8116 0.5068 0.2331 0.045 Uiso 1 1 calc R U . . .
H16T H 0.8564 0.5454 0.2721 0.045 Uiso 1 1 calc R U . . .
C169 C 0.7156(2) 0.63543(16) -0.00789(16) 0.0313(7) Uani 1 1 d . . . . .
H16U H 0.7273 0.6723 -0.0456 0.038 Uiso 1 1 calc R U . . .
H16V H 0.6662 0.6541 0.0198 0.038 Uiso 1 1 calc R U . . .
C170 C 0.7960(2) 0.61117(16) 0.02963(14) 0.0291(7) Uani 1 1 d . . . . .
H17A H 0.7835 0.5762 0.0689 0.035 Uiso 1 1 calc R U . . .
H17B H 0.8450 0.5906 0.0029 0.035 Uiso 1 1 calc R U . . .
C171 C 0.6901(2) 0.57874(18) -0.03072(18) 0.0405(8) Uani 1 1 d . . . . .
H17C H 0.6378 0.5964 -0.0542 0.061 Uiso 1 1 calc R U . . .
H17D H 0.6779 0.5423 0.0065 0.061 Uiso 1 1 calc R U . . .
H17E H 0.7382 0.5610 -0.0592 0.061 Uiso 1 1 calc R U . . .
C172 C 0.82113(19) 0.66963(15) 0.04802(14) 0.0253(6) Uani 1 1 d . . . . .
H17F H 0.7714 0.6896 0.0747 0.030 Uiso 1 1 calc R U . . .
H17G H 0.8312 0.7048 0.0083 0.030 Uiso 1 1 calc R U . . .
C173 C 1.0682(2) 0.62073(19) 0.06418(17) 0.0375(8) Uani 1 1 d . . . . .
H17H H 1.0696 0.5947 0.1095 0.045 Uiso 1 1 calc R U . . .
H17I H 1.0792 0.6667 0.0619 0.045 Uiso 1 1 calc R U . . .
C174 C 0.9798(2) 0.62549(16) 0.04178(14) 0.0288(7) Uani 1 1 d . . . . .
H17J H 0.9735 0.5799 0.0384 0.035 Uiso 1 1 calc R U . . .
H17K H 0.9776 0.6556 -0.0019 0.035 Uiso 1 1 calc R U . . .
C175 C 1.1389(2) 0.58576(18) 0.0220(2) 0.0460(10) Uani 1 1 d . . . . .
H17L H 1.1351 0.5370 0.0315 0.055 Uiso 1 1 calc R U . . .
H17M H 1.1289 0.6056 -0.0238 0.055 Uiso 1 1 calc R U . . .
C176 C 1.2289(2) 0.5933(2) 0.0333(3) 0.0690(15) Uani 1 1 d . . . . .
H17N H 1.2725 0.5725 0.0039 0.103 Uiso 1 1 calc R U . . .
H17O H 1.2405 0.5708 0.0779 0.103 Uiso 1 1 calc R U . . .
H17P H 1.2321 0.6415 0.0255 0.103 Uiso 1 1 calc R U . . .
O200 O 0.03588(19) 0.34969(16) 0.73367(15) 0.0626(8) Uani 1 1 d . . . . .
C186 C 0.2440(2) 0.06801(16) 0.66400(15) 0.0286(7) Uani 1 1 d . . . . .
H18A H 0.1993 0.0615 0.6389 0.034 Uiso 1 1 calc R U . . .
H18B H 0.2139 0.0937 0.6960 0.034 Uiso 1 1 calc R U . . .
C185 C 0.2912(2) -0.00143(15) 0.69904(15) 0.0306(7) Uani 1 1 d . . . . .
H18C H 0.2488 -0.0257 0.7298 0.037 Uiso 1 1 calc R U . . .
H18D H 0.3162 -0.0289 0.6674 0.037 Uiso 1 1 calc R U . . .
C184 C 0.3636(2) 0.00680(15) 0.73498(14) 0.0290(7) Uani 1 1 d . . . . .
H18E H 0.3377 0.0299 0.7698 0.035 Uiso 1 1 calc R U . . .
H18F H 0.3952 -0.0385 0.7550 0.035 Uiso 1 1 calc R U . . .
C183 C 0.42728(19) 0.04733(13) 0.69076(13) 0.0209(6) Uani 1 1 d . . . . .
H18G H 0.4578 0.0219 0.6587 0.025 Uiso 1 1 calc R U . . .
H18H H 0.4716 0.0538 0.7162 0.025 Uiso 1 1 calc R U . . .
C182 C 0.30922(19) 0.10847(15) 0.61867(13) 0.0230(6) Uani 1 1 d . . . . .
H18I H 0.3355 0.0847 0.5844 0.028 Uiso 1 1 calc R U . . .
H18J H 0.2782 0.1537 0.5980 0.028 Uiso 1 1 calc R U . . .
C181 C 0.38098(17) 0.11650(13) 0.65574(12) 0.0175(5) Uani 1 1 d . . . . .
H181 H 0.3492 0.1379 0.6909 0.021 Uiso 1 1 calc R U . . .
C202 C 0.0313(3) 0.2408(2) 0.7288(3) 0.0636(13) Uani 1 1 d . . . . .
H20A H -0.0060 0.2126 0.7180 0.076 Uiso 1 1 calc R U . . .
H20B H 0.0639 0.2142 0.7659 0.076 Uiso 1 1 calc R U . . .
C203 C 0.1021(3) 0.3359(2) 0.6835(2) 0.0568(11) Uani 1 1 d . . . . .
H20C H 0.1608 0.3331 0.6970 0.068 Uiso 1 1 calc R U . . .
H20D H 0.0941 0.3724 0.6439 0.068 Uiso 1 1 calc R U . . .
C204 C -0.0213(2) 0.3057(2) 0.7418(2) 0.0563(12) Uani 1 1 d . . . . .
H20E H -0.0670 0.3242 0.7114 0.068 Uiso 1 1 calc R U . . .
H20F H -0.0498 0.2978 0.7862 0.068 Uiso 1 1 calc R U . . .
C205 C 0.0931(3) 0.2678(3) 0.6707(3) 0.0770(16) Uani 1 1 d . . . . .
H20G H 0.0672 0.2744 0.6297 0.092 Uiso 1 1 calc R U . . .
H20H H 0.1501 0.2371 0.6699 0.092 Uiso 1 1 calc R U . . .
O210 O 0.51891(18) 0.20771(14) 0.23220(12) 0.0468(6) Uani 1 1 d . . . . .
C212 C 0.5215(3) 0.17229(18) 0.29465(18) 0.0421(9) Uani 1 1 d . . . . .
H21C H 0.5813 0.1474 0.3024 0.051 Uiso 1 1 calc R U . . .
H21D H 0.4812 0.1390 0.3045 0.051 Uiso 1 1 calc R U . . .
C213 C 0.4493(2) 0.28539(19) 0.29303(17) 0.0402(8) Uani 1 1 d . . . . .
H21E H 0.4553 0.3276 0.3044 0.048 Uiso 1 1 calc R U . . .
H21F H 0.3866 0.2842 0.2926 0.048 Uiso 1 1 calc R U . . .
C214 C 0.4934(2) 0.22369(18) 0.33818(16) 0.0376(8) Uani 1 1 d . . . . .
H21G H 0.4525 0.2068 0.3752 0.045 Uiso 1 1 calc R U . . .
H21H H 0.5447 0.2332 0.3543 0.045 Uiso 1 1 calc R U . . .
C215 C 0.4995(3) 0.27899(19) 0.22945(17) 0.0453(9) Uani 1 1 d . . . . .
H21I H 0.4638 0.3032 0.1933 0.054 Uiso 1 1 calc R U . . .
H21J H 0.5539 0.2980 0.2236 0.054 Uiso 1 1 calc R U . . .


_geom_special_details            
;
  All esds (except the esd in the dihedral angle between two l.s. planes)
  are estimated using the full covariance matrix.  The cell esds are taken
  into account individually in the estimation of esds in distances, angles
  and torsion angles; correlations between esds in cell parameters are only
  used when they are defined by crystal symmetry.  An approximate (isotropic)
  treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P2 2.2599(7) . ?
Pt1 P1 2.2695(7) . ?
Pt1 Sn1 2.6041(4) . ?
Sn1 Br2 2.6745(6) . ?
Sn1 Br1 2.6975(6) . ?
Sn1 Br3 2.7182(5) . ?
P1 C32 1.854(3) . ?
P1 C22 1.856(3) . ?
P1 C11 1.870(3) . ?
P2 C42 1.851(3) . ?
P2 C51 1.856(3) . ?
P2 C61 1.859(2) . ?
C11 C12 1.539(4) . ?
C11 C13 1.538(4) . ?
C11 H11 1.0000 . ?
C12 C14 1.534(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C16 1.530(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.518(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.524(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C23 1.522(4) . ?
C21 C22 1.537(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C24 1.537(4) . ?
C22 H22 1.0000 . ?
C23 C25 1.525(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C26 1.531(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.524(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C36 1.529(4) . ?
C31 C32 1.537(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.541(3) . ?
C32 H32 1.0000 . ?
C33 C35 1.529(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C36 1.527(4) . ?
C34 C35 1.530(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C44 1.531(4) . ?
C41 C42 1.535(3) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.535(3) . ?
C42 H42 1.0000 . ?
C43 C46 1.529(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.523(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.525(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C53 1.528(4) . ?
C51 C52 1.539(4) . ?
C51 H51 1.0000 . ?
C52 C54 1.527(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C55 1.529(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C56 1.526(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.523(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C63 1.531(3) . ?
C61 C62 1.538(3) . ?
C61 H61 1.0000 . ?
C62 C65 1.532(4) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.534(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C66 1.528(4) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.525(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N140 C153 1.516(3) . ?
N140 C141 1.520(3) . ?
N140 C149 1.521(4) . ?
N140 C145 1.529(4) . ?
C141 C142 1.516(4) . ?
C141 H14C 0.9900 . ?
C141 H14D 0.9900 . ?
C142 C143 1.510(4) . ?
C142 H14E 0.9900 . ?
C142 H14F 0.9900 . ?
C143 C144 1.502(5) . ?
C143 H14G 0.9900 . ?
C143 H14H 0.9900 . ?
C144 H14I 0.9800 . ?
C144 H14J 0.9800 . ?
C144 H14K 0.9800 . ?
C145 C146 1.518(4) . ?
C145 H14L 0.9900 . ?
C145 H14M 0.9900 . ?
C146 C147 1.532(4) . ?
C146 H14N 0.9900 . ?
C146 H14O 0.9900 . ?
C147 C148 1.513(5) . ?
C147 H14P 0.9900 . ?
C147 H14Q 0.9900 . ?
C148 H14R 0.9800 . ?
C148 H14S 0.9800 . ?
C148 H14T 0.9800 . ?
C149 C150 1.517(4) . ?
C149 H14U 0.9900 . ?
C149 H14V 0.9900 . ?
C150 C151 1.525(4) . ?
C150 H15C 0.9900 . ?
C150 H15D 0.9900 . ?
C151 C152 1.511(4) . ?
C151 H15E 0.9900 . ?
C151 H15F 0.9900 . ?
C152 H15G 0.9800 . ?
C152 H15H 0.9800 . ?
C152 H15I 0.9800 . ?
C153 C154 1.510(4) . ?
C153 H15J 0.9900 . ?
C153 H15K 0.9900 . ?
C154 C155 1.523(4) . ?
C154 H15L 0.9900 . ?
C154 H15M 0.9900 . ?
C155 C156 1.511(5) . ?
C155 H15N 0.9900 . ?
C155 H15O 0.9900 . ?
C156 H15P 0.9800 . ?
C156 H15Q 0.9800 . ?
C156 H15R 0.9800 . ?
Pt71 P72 2.2680(7) . ?
Pt71 P71 2.2682(7) . ?
Pt71 Sn71 2.6081(4) . ?
Sn71 Br72 2.6971(6) . ?
Sn71 Br73 2.6985(5) . ?
Sn71 Br71 2.7349(6) . ?
P71 C91 1.847(3) . ?
P71 C101 1.850(3) . ?
P71 C81 1.855(3) . ?
P72 C131 1.852(3) . ?
P72 C111 1.854(2) . ?
P72 C181 1.855(3) . ?
C81 C83 1.521(4) . ?
C81 C82 1.520(4) . ?
C81 H81 1.0000 . ?
C82 C84 1.531(4) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C85 1.544(4) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C86 1.518(5) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.511(5) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C91 C94 1.529(4) . ?
C91 C92 1.535(3) . ?
C91 H91 1.0000 . ?
C92 C96 1.533(4) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C95 1.519(4) . ?
C93 C94 1.526(4) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.525(4) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C101 C102 1.531(4) . ?
C101 C103 1.533(4) . ?
C101 H101 1.0000 . ?
C102 C105 1.533(4) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C103 C104 1.529(4) . ?
C103 H10C 0.9900 . ?
C103 H10D 0.9900 . ?
C104 C106 1.518(5) . ?
C104 H10E 0.9900 . ?
C104 H10F 0.9900 . ?
C105 C106 1.530(4) . ?
C105 H10G 0.9900 . ?
C105 H10H 0.9900 . ?
C106 H10I 0.9900 . ?
C106 H10J 0.9900 . ?
C111 C113 1.536(3) . ?
C111 C112 1.539(3) . ?
C111 H111 1.0000 . ?
C112 C115 1.531(4) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C114 1.525(4) . ?
C113 H11C 0.9900 . ?
C113 H11D 0.9900 . ?
C114 C116 1.518(4) . ?
C114 H11E 0.9900 . ?
C114 H11F 0.9900 . ?
C115 C116 1.521(4) . ?
C115 H11G 0.9900 . ?
C115 H11H 0.9900 . ?
C116 H11I 0.9900 . ?
C116 H11J 0.9900 . ?
C131 C133 1.534(4) . ?
C131 C132 1.536(3) . ?
C131 H131 1.0000 . ?
C132 C134 1.528(4) . ?
C132 H13C 0.9900 . ?
C132 H13D 0.9900 . ?
C133 C136 1.537(3) . ?
C133 H13E 0.9900 . ?
C133 H13F 0.9900 . ?
C134 C135 1.527(4) . ?
C134 H13G 0.9900 . ?
C134 H13H 0.9900 . ?
C135 C136 1.523(4) . ?
C135 H13I 0.9900 . ?
C135 H13J 0.9900 . ?
C136 H13K 0.9900 . ?
C136 H13L 0.9900 . ?
N160 C161 1.507(4) . ?
N160 C172 1.523(4) . ?
N160 C167 1.526(4) . ?
N160 C174 1.529(3) . ?
C161 C162 1.521(5) . ?
C161 H16C 0.9900 . ?
C161 H16D 0.9900 . ?
C162 C163 1.511(5) . ?
C162 H16E 0.9900 . ?
C162 H16F 0.9900 . ?
C163 C164 1.523(5) . ?
C163 H16G 0.9900 . ?
C163 H16H 0.9900 . ?
C164 H16I 0.9800 . ?
C164 H16J 0.9800 . ?
C164 H16K 0.9800 . ?
C165 C167 1.522(4) . ?
C165 C168 1.529(4) . ?
C165 H16L 0.9900 . ?
C165 H16M 0.9900 . ?
C166 C168 1.521(5) . ?
C166 H16N 0.9800 . ?
C166 H16O 0.9800 . ?
C166 H16P 0.9800 . ?
C167 H16Q 0.9900 . ?
C167 H16R 0.9900 . ?
C168 H16S 0.9900 . ?
C168 H16T 0.9900 . ?
C169 C170 1.522(4) . ?
C169 C171 1.521(5) . ?
C169 H16U 0.9900 . ?
C169 H16V 0.9900 . ?
C170 C172 1.502(4) . ?
C170 H17A 0.9900 . ?
C170 H17B 0.9900 . ?
C171 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C172 H17F 0.9900 . ?
C172 H17G 0.9900 . ?
C173 C174 1.506(5) . ?
C173 C175 1.524(5) . ?
C173 H17H 0.9900 . ?
C173 H17I 0.9900 . ?
C174 H17J 0.9900 . ?
C174 H17K 0.9900 . ?
C175 C176 1.509(5) . ?
C175 H17L 0.9900 . ?
C175 H17M 0.9900 . ?
C176 H17N 0.9800 . ?
C176 H17O 0.9800 . ?
C176 H17P 0.9800 . ?
O200 C204 1.366(5) . ?
O200 C203 1.439(5) . ?
C186 C182 1.536(4) . ?
C186 C185 1.538(4) . ?
C186 H18A 0.9900 . ?
C186 H18B 0.9900 . ?
C185 C184 1.517(4) . ?
C185 H18C 0.9900 . ?
C185 H18D 0.9900 . ?
C184 C183 1.510(4) . ?
C184 H18E 0.9900 . ?
C184 H18F 0.9900 . ?
C183 C181 1.528(4) . ?
C183 H18G 0.9900 . ?
C183 H18H 0.9900 . ?
C182 C181 1.523(4) . ?
C182 H18I 0.9900 . ?
C182 H18J 0.9900 . ?
C181 H181 1.0000 . ?
C202 C204 1.501(6) . ?
C202 C205 1.534(7) . ?
C202 H20A 0.9900 . ?
C202 H20B 0.9900 . ?
C203 C205 1.540(7) . ?
C203 H20C 0.9900 . ?
C203 H20D 0.9900 . ?
C204 H20E 0.9900 . ?
C204 H20F 0.9900 . ?
C205 H20G 0.9900 . ?
C205 H20H 0.9900 . ?
O210 C212 1.362(4) . ?
O210 C215 1.435(4) . ?
C212 C214 1.555(5) . ?
C212 H21C 0.9900 . ?
C212 H21D 0.9900 . ?
C213 C214 1.503(5) . ?
C213 C215 1.509(5) . ?
C213 H21E 0.9900 . ?
C213 H21F 0.9900 . ?
C214 H21G 0.9900 . ?
C214 H21H 0.9900 . ?
C215 H21I 0.9900 . ?
C215 H21J 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pt1 P1 145.12(2) . . ?
P2 Pt1 Sn1 102.29(2) . . ?
P1 Pt1 Sn1 111.391(19) . . ?
Pt1 Sn1 Br2 111.749(15) . . ?
Pt1 Sn1 Br1 125.180(13) . . ?
Br2 Sn1 Br1 97.017(17) . . ?
Pt1 Sn1 Br3 125.327(14) . . ?
Br2 Sn1 Br3 98.417(17) . . ?
Br1 Sn1 Br3 93.014(15) . . ?
C32 P1 C22 102.81(12) . . ?
C32 P1 C11 104.58(12) . . ?
C22 P1 C11 104.08(12) . . ?
C32 P1 Pt1 105.81(8) . . ?
C22 P1 Pt1 113.61(9) . . ?
C11 P1 Pt1 123.75(9) . . ?
C42 P2 C51 102.31(12) . . ?
C42 P2 C61 102.45(11) . . ?
C51 P2 C61 110.09(12) . . ?
C42 P2 Pt1 109.84(8) . . ?
C51 P2 Pt1 117.84(9) . . ?
C61 P2 Pt1 112.67(8) . . ?
C12 C11 C13 108.9(2) . . ?
C12 C11 P1 113.01(19) . . ?
C13 C11 P1 116.10(19) . . ?
C12 C11 H11 106.0 . . ?
C13 C11 H11 106.0 . . ?
P1 C11 H11 106.0 . . ?
C14 C12 C11 110.3(2) . . ?
C14 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C14 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C16 C13 C11 111.4(2) . . ?
C16 C13 H13A 109.3 . . ?
C11 C13 H13A 109.3 . . ?
C16 C13 H13B 109.3 . . ?
C11 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C15 C14 C12 111.0(3) . . ?
C15 C14 H14A 109.4 . . ?
C12 C14 H14A 109.4 . . ?
C15 C14 H14B 109.4 . . ?
C12 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 110.7(3) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C15 C16 C13 111.3(3) . . ?
C15 C16 H16A 109.4 . . ?
C13 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
C13 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C23 C21 C22 110.1(2) . . ?
C23 C21 H21A 109.6 . . ?
C22 C21 H21A 109.6 . . ?
C23 C21 H21B 109.6 . . ?
C22 C21 H21B 109.6 . . ?
H21A C21 H21B 108.2 . . ?
C21 C22 C24 110.1(2) . . ?
C21 C22 P1 111.98(17) . . ?
C24 C22 P1 110.51(18) . . ?
C21 C22 H22 108.0 . . ?
C24 C22 H22 108.0 . . ?
P1 C22 H22 108.0 . . ?
C21 C23 C25 111.4(2) . . ?
C21 C23 H23A 109.3 . . ?
C25 C23 H23A 109.3 . . ?
C21 C23 H23B 109.3 . . ?
C25 C23 H23B 109.3 . . ?
H23A C23 H23B 108.0 . . ?
C26 C24 C22 111.4(2) . . ?
C26 C24 H24A 109.3 . . ?
C22 C24 H24A 109.3 . . ?
C26 C24 H24B 109.3 . . ?
C22 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
C26 C25 C23 111.0(2) . . ?
C26 C25 H25A 109.4 . . ?
C23 C25 H25A 109.4 . . ?
C26 C25 H25B 109.4 . . ?
C23 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
C25 C26 C24 111.4(2) . . ?
C25 C26 H26A 109.3 . . ?
C24 C26 H26A 109.3 . . ?
C25 C26 H26B 109.3 . . ?
C24 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C36 C31 C32 110.3(2) . . ?
C36 C31 H31A 109.6 . . ?
C32 C31 H31A 109.6 . . ?
C36 C31 H31B 109.6 . . ?
C32 C31 H31B 109.6 . . ?
H31A C31 H31B 108.1 . . ?
C31 C32 C33 110.0(2) . . ?
C31 C32 P1 111.98(17) . . ?
C33 C32 P1 118.01(18) . . ?
C31 C32 H32 105.2 . . ?
C33 C32 H32 105.2 . . ?
P1 C32 H32 105.2 . . ?
C35 C33 C32 110.0(2) . . ?
C35 C33 H33A 109.7 . . ?
C32 C33 H33A 109.7 . . ?
C35 C33 H33B 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C36 C34 C35 111.3(2) . . ?
C36 C34 H34A 109.4 . . ?
C35 C34 H34A 109.4 . . ?
C36 C34 H34B 109.4 . . ?
C35 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
C34 C35 C33 110.9(2) . . ?
C34 C35 H35A 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C34 C36 C31 111.7(2) . . ?
C34 C36 H36A 109.3 . . ?
C31 C36 H36A 109.3 . . ?
C34 C36 H36B 109.3 . . ?
C31 C36 H36B 109.3 . . ?
H36A C36 H36B 107.9 . . ?
C44 C41 C42 111.4(2) . . ?
C44 C41 H41A 109.3 . . ?
C42 C41 H41A 109.3 . . ?
C44 C41 H41B 109.3 . . ?
C42 C41 H41B 109.3 . . ?
H41A C41 H41B 108.0 . . ?
C43 C42 C41 109.5(2) . . ?
C43 C42 P2 111.90(17) . . ?
C41 C42 P2 111.49(17) . . ?
C43 C42 H42 107.9 . . ?
C41 C42 H42 107.9 . . ?
P2 C42 H42 107.9 . . ?
C46 C43 C42 111.2(2) . . ?
C46 C43 H43A 109.4 . . ?
C42 C43 H43A 109.4 . . ?
C46 C43 H43B 109.4 . . ?
C42 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C41 111.4(2) . . ?
C45 C44 H44A 109.3 . . ?
C41 C44 H44A 109.3 . . ?
C45 C44 H44B 109.3 . . ?
C41 C44 H44B 109.3 . . ?
H44A C44 H44B 108.0 . . ?
C44 C45 C46 111.2(2) . . ?
C44 C45 H45A 109.4 . . ?
C46 C45 H45A 109.4 . . ?
C44 C45 H45B 109.4 . . ?
C46 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C45 C46 C43 111.4(2) . . ?
C45 C46 H46A 109.4 . . ?
C43 C46 H46A 109.4 . . ?
C45 C46 H46B 109.4 . . ?
C43 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
C53 C51 C52 110.0(2) . . ?
C53 C51 P2 118.78(18) . . ?
C52 C51 P2 112.73(18) . . ?
C53 C51 H51 104.6 . . ?
C52 C51 H51 104.6 . . ?
P2 C51 H51 104.6 . . ?
C54 C52 C51 109.9(2) . . ?
C54 C52 H52A 109.7 . . ?
C51 C52 H52A 109.7 . . ?
C54 C52 H52B 109.7 . . ?
C51 C52 H52B 109.7 . . ?
H52A C52 H52B 108.2 . . ?
C51 C53 C55 110.1(2) . . ?
C51 C53 H53A 109.6 . . ?
C55 C53 H53A 109.6 . . ?
C51 C53 H53B 109.6 . . ?
C55 C53 H53B 109.6 . . ?
H53A C53 H53B 108.2 . . ?
C52 C54 C56 112.1(2) . . ?
C52 C54 H54A 109.2 . . ?
C56 C54 H54A 109.2 . . ?
C52 C54 H54B 109.2 . . ?
C56 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
C56 C55 C53 111.2(2) . . ?
C56 C55 H55A 109.4 . . ?
C53 C55 H55A 109.4 . . ?
C56 C55 H55B 109.4 . . ?
C53 C55 H55B 109.4 . . ?
H55A C55 H55B 108.0 . . ?
C55 C56 C54 111.1(2) . . ?
C55 C56 H56A 109.4 . . ?
C54 C56 H56A 109.4 . . ?
C55 C56 H56B 109.4 . . ?
C54 C56 H56B 109.4 . . ?
H56A C56 H56B 108.0 . . ?
C63 C61 C62 110.2(2) . . ?
C63 C61 P2 117.81(17) . . ?
C62 C61 P2 113.51(17) . . ?
C63 C61 H61 104.6 . . ?
C62 C61 H61 104.6 . . ?
P2 C61 H61 104.6 . . ?
C65 C62 C61 110.2(2) . . ?
C65 C62 H62A 109.6 . . ?
C61 C62 H62A 109.6 . . ?
C65 C62 H62B 109.6 . . ?
C61 C62 H62B 109.6 . . ?
H62A C62 H62B 108.1 . . ?
C61 C63 C64 111.2(2) . . ?
C61 C63 H63A 109.4 . . ?
C64 C63 H63A 109.4 . . ?
C61 C63 H63B 109.4 . . ?
C64 C63 H63B 109.4 . . ?
H63A C63 H63B 108.0 . . ?
C66 C64 C63 111.4(2) . . ?
C66 C64 H64A 109.3 . . ?
C63 C64 H64A 109.3 . . ?
C66 C64 H64B 109.3 . . ?
C63 C64 H64B 109.3 . . ?
H64A C64 H64B 108.0 . . ?
C66 C65 C62 111.4(2) . . ?
C66 C65 H65A 109.3 . . ?
C62 C65 H65A 109.3 . . ?
C66 C65 H65B 109.3 . . ?
C62 C65 H65B 109.3 . . ?
H65A C65 H65B 108.0 . . ?
C65 C66 C64 111.4(2) . . ?
C65 C66 H66A 109.3 . . ?
C64 C66 H66A 109.3 . . ?
C65 C66 H66B 109.3 . . ?
C64 C66 H66B 109.3 . . ?
H66A C66 H66B 108.0 . . ?
C153 N140 C141 108.9(2) . . ?
C153 N140 C149 111.4(2) . . ?
C141 N140 C149 109.0(2) . . ?
C153 N140 C145 108.0(2) . . ?
C141 N140 C145 111.4(2) . . ?
C149 N140 C145 108.1(2) . . ?
C142 C141 N140 115.4(2) . . ?
C142 C141 H14C 108.4 . . ?
N140 C141 H14C 108.4 . . ?
C142 C141 H14D 108.4 . . ?
N140 C141 H14D 108.4 . . ?
H14C C141 H14D 107.5 . . ?
C143 C142 C141 111.2(3) . . ?
C143 C142 H14E 109.4 . . ?
C141 C142 H14E 109.4 . . ?
C143 C142 H14F 109.4 . . ?
C141 C142 H14F 109.4 . . ?
H14E C142 H14F 108.0 . . ?
C144 C143 C142 113.7(3) . . ?
C144 C143 H14G 108.8 . . ?
C142 C143 H14G 108.8 . . ?
C144 C143 H14H 108.8 . . ?
C142 C143 H14H 108.8 . . ?
H14G C143 H14H 107.7 . . ?
C143 C144 H14I 109.5 . . ?
C143 C144 H14J 109.5 . . ?
H14I C144 H14J 109.5 . . ?
C143 C144 H14K 109.5 . . ?
H14I C144 H14K 109.5 . . ?
H14J C144 H14K 109.5 . . ?
C146 C145 N140 115.6(2) . . ?
C146 C145 H14L 108.4 . . ?
N140 C145 H14L 108.4 . . ?
C146 C145 H14M 108.4 . . ?
N140 C145 H14M 108.4 . . ?
H14L C145 H14M 107.5 . . ?
C145 C146 C147 110.1(3) . . ?
C145 C146 H14N 109.6 . . ?
C147 C146 H14N 109.6 . . ?
C145 C146 H14O 109.6 . . ?
C147 C146 H14O 109.6 . . ?
H14N C146 H14O 108.2 . . ?
C148 C147 C146 112.8(3) . . ?
C148 C147 H14P 109.0 . . ?
C146 C147 H14P 109.0 . . ?
C148 C147 H14Q 109.0 . . ?
C146 C147 H14Q 109.0 . . ?
H14P C147 H14Q 107.8 . . ?
C147 C148 H14R 109.5 . . ?
C147 C148 H14S 109.5 . . ?
H14R C148 H14S 109.5 . . ?
C147 C148 H14T 109.5 . . ?
H14R C148 H14T 109.5 . . ?
H14S C148 H14T 109.5 . . ?
C150 C149 N140 116.7(2) . . ?
C150 C149 H14U 108.1 . . ?
N140 C149 H14U 108.1 . . ?
C150 C149 H14V 108.1 . . ?
N140 C149 H14V 108.1 . . ?
H14U C149 H14V 107.3 . . ?
C149 C150 C151 110.2(2) . . ?
C149 C150 H15C 109.6 . . ?
C151 C150 H15C 109.6 . . ?
C149 C150 H15D 109.6 . . ?
C151 C150 H15D 109.6 . . ?
H15C C150 H15D 108.1 . . ?
C152 C151 C150 113.2(3) . . ?
C152 C151 H15E 108.9 . . ?
C150 C151 H15E 108.9 . . ?
C152 C151 H15F 108.9 . . ?
C150 C151 H15F 108.9 . . ?
H15E C151 H15F 107.7 . . ?
C151 C152 H15G 109.5 . . ?
C151 C152 H15H 109.5 . . ?
H15G C152 H15H 109.5 . . ?
C151 C152 H15I 109.5 . . ?
H15G C152 H15I 109.5 . . ?
H15H C152 H15I 109.5 . . ?
C154 C153 N140 114.7(2) . . ?
C154 C153 H15J 108.6 . . ?
N140 C153 H15J 108.6 . . ?
C154 C153 H15K 108.6 . . ?
N140 C153 H15K 108.6 . . ?
H15J C153 H15K 107.6 . . ?
C153 C154 C155 111.3(3) . . ?
C153 C154 H15L 109.4 . . ?
C155 C154 H15L 109.4 . . ?
C153 C154 H15M 109.4 . . ?
C155 C154 H15M 109.4 . . ?
H15L C154 H15M 108.0 . . ?
C156 C155 C154 112.5(3) . . ?
C156 C155 H15N 109.1 . . ?
C154 C155 H15N 109.1 . . ?
C156 C155 H15O 109.1 . . ?
C154 C155 H15O 109.1 . . ?
H15N C155 H15O 107.8 . . ?
C155 C156 H15P 109.5 . . ?
C155 C156 H15Q 109.5 . . ?
H15P C156 H15Q 109.5 . . ?
C155 C156 H15R 109.5 . . ?
H15P C156 H15R 109.5 . . ?
H15Q C156 H15R 109.5 . . ?
P72 Pt71 P71 151.26(2) . . ?
P72 Pt71 Sn71 104.40(2) . . ?
P71 Pt71 Sn71 104.29(2) . . ?
Pt71 Sn71 Br72 114.961(16) . . ?
Pt71 Sn71 Br73 120.036(14) . . ?
Br72 Sn71 Br73 96.938(18) . . ?
Pt71 Sn71 Br71 127.158(13) . . ?
Br72 Sn71 Br71 96.189(18) . . ?
Br73 Sn71 Br71 95.270(14) . . ?
C91 P71 C101 103.56(12) . . ?
C91 P71 C81 109.59(12) . . ?
C101 P71 C81 103.11(12) . . ?
C91 P71 Pt71 108.29(9) . . ?
C101 P71 Pt71 111.52(9) . . ?
C81 P71 Pt71 119.57(9) . . ?
C131 P72 C111 102.66(11) . . ?
C131 P72 C181 109.46(12) . . ?
C111 P72 C181 103.42(12) . . ?
C131 P72 Pt71 111.75(9) . . ?
C111 P72 Pt71 113.01(8) . . ?
C181 P72 Pt71 115.50(9) . . ?
C83 C81 C82 109.6(3) . . ?
C83 C81 P71 117.58(19) . . ?
C82 C81 P71 113.08(19) . . ?
C83 C81 H81 105.1 . . ?
C82 C81 H81 105.1 . . ?
P71 C81 H81 105.1 . . ?
C81 C82 C84 110.5(2) . . ?
C81 C82 H82A 109.5 . . ?
C84 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C84 C82 H82B 109.5 . . ?
H82A C82 H82B 108.1 . . ?
C81 C83 C85 110.7(3) . . ?
C81 C83 H83A 109.5 . . ?
C85 C83 H83A 109.5 . . ?
C81 C83 H83B 109.5 . . ?
C85 C83 H83B 109.5 . . ?
H83A C83 H83B 108.1 . . ?
C86 C84 C82 110.8(3) . . ?
C86 C84 H84A 109.5 . . ?
C82 C84 H84A 109.5 . . ?
C86 C84 H84B 109.5 . . ?
C82 C84 H84B 109.5 . . ?
H84A C84 H84B 108.1 . . ?
C86 C85 C83 111.3(3) . . ?
C86 C85 H85A 109.4 . . ?
C83 C85 H85A 109.4 . . ?
C86 C85 H85B 109.4 . . ?
C83 C85 H85B 109.4 . . ?
H85A C85 H85B 108.0 . . ?
C85 C86 C84 111.3(3) . . ?
C85 C86 H86A 109.4 . . ?
C84 C86 H86A 109.4 . . ?
C85 C86 H86B 109.4 . . ?
C84 C86 H86B 109.4 . . ?
H86A C86 H86B 108.0 . . ?
C94 C91 C92 109.1(2) . . ?
C94 C91 P71 119.57(18) . . ?
C92 C91 P71 113.12(18) . . ?
C94 C91 H91 104.5 . . ?
C92 C91 H91 104.5 . . ?
P71 C91 H91 104.5 . . ?
C96 C92 C91 109.5(2) . . ?
C96 C92 H92A 109.8 . . ?
C91 C92 H92A 109.8 . . ?
C96 C92 H92B 109.8 . . ?
C91 C92 H92B 109.8 . . ?
H92A C92 H92B 108.2 . . ?
C95 C93 C94 112.1(2) . . ?
C95 C93 H93A 109.2 . . ?
C94 C93 H93A 109.2 . . ?
C95 C93 H93B 109.2 . . ?
C94 C93 H93B 109.2 . . ?
H93A C93 H93B 107.9 . . ?
C93 C94 C91 110.0(2) . . ?
C93 C94 H94A 109.7 . . ?
C91 C94 H94A 109.7 . . ?
C93 C94 H94B 109.7 . . ?
C91 C94 H94B 109.7 . . ?
H94A C94 H94B 108.2 . . ?
C93 C95 C96 111.6(2) . . ?
C93 C95 H95A 109.3 . . ?
C96 C95 H95A 109.3 . . ?
C93 C95 H95B 109.3 . . ?
C96 C95 H95B 109.3 . . ?
H95A C95 H95B 108.0 . . ?
C95 C96 C92 110.6(2) . . ?
C95 C96 H96A 109.5 . . ?
C92 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
C92 C96 H96B 109.5 . . ?
H96A C96 H96B 108.1 . . ?
C102 C101 C103 110.5(2) . . ?
C102 C101 P71 111.45(17) . . ?
C103 C101 P71 110.02(18) . . ?
C102 C101 H101 108.3 . . ?
C103 C101 H101 108.3 . . ?
P71 C101 H101 108.3 . . ?
C101 C102 C105 111.7(2) . . ?
C101 C102 H10A 109.3 . . ?
C105 C102 H10A 109.3 . . ?
C101 C102 H10B 109.3 . . ?
C105 C102 H10B 109.3 . . ?
H10A C102 H10B 107.9 . . ?
C104 C103 C101 110.9(2) . . ?
C104 C103 H10C 109.5 . . ?
C101 C103 H10C 109.5 . . ?
C104 C103 H10D 109.5 . . ?
C101 C103 H10D 109.5 . . ?
H10C C103 H10D 108.1 . . ?
C106 C104 C103 111.4(3) . . ?
C106 C104 H10E 109.4 . . ?
C103 C104 H10E 109.4 . . ?
C106 C104 H10F 109.4 . . ?
C103 C104 H10F 109.4 . . ?
H10E C104 H10F 108.0 . . ?
C106 C105 C102 111.1(3) . . ?
C106 C105 H10G 109.4 . . ?
C102 C105 H10G 109.4 . . ?
C106 C105 H10H 109.4 . . ?
C102 C105 H10H 109.4 . . ?
H10G C105 H10H 108.0 . . ?
C104 C106 C105 110.5(3) . . ?
C104 C106 H10I 109.5 . . ?
C105 C106 H10I 109.5 . . ?
C104 C106 H10J 109.5 . . ?
C105 C106 H10J 109.5 . . ?
H10I C106 H10J 108.1 . . ?
C113 C111 C112 110.1(2) . . ?
C113 C111 P72 113.48(17) . . ?
C112 C111 P72 109.80(17) . . ?
C113 C111 H111 107.8 . . ?
C112 C111 H111 107.8 . . ?
P72 C111 H111 107.8 . . ?
C115 C112 C111 111.2(2) . . ?
C115 C112 H11A 109.4 . . ?
C111 C112 H11A 109.4 . . ?
C115 C112 H11B 109.4 . . ?
C111 C112 H11B 109.4 . . ?
H11A C112 H11B 108.0 . . ?
C114 C113 C111 111.3(2) . . ?
C114 C113 H11C 109.4 . . ?
C111 C113 H11C 109.4 . . ?
C114 C113 H11D 109.4 . . ?
C111 C113 H11D 109.4 . . ?
H11C C113 H11D 108.0 . . ?
C116 C114 C113 111.6(2) . . ?
C116 C114 H11E 109.3 . . ?
C113 C114 H11E 109.3 . . ?
C116 C114 H11F 109.3 . . ?
C113 C114 H11F 109.3 . . ?
H11E C114 H11F 108.0 . . ?
C116 C115 C112 111.4(2) . . ?
C116 C115 H11G 109.3 . . ?
C112 C115 H11G 109.3 . . ?
C116 C115 H11H 109.3 . . ?
C112 C115 H11H 109.3 . . ?
H11G C115 H11H 108.0 . . ?
C114 C116 C115 110.8(2) . . ?
C114 C116 H11I 109.5 . . ?
C115 C116 H11I 109.5 . . ?
C114 C116 H11J 109.5 . . ?
C115 C116 H11J 109.5 . . ?
H11I C116 H11J 108.1 . . ?
C133 C131 C132 110.1(2) . . ?
C133 C131 P72 116.83(18) . . ?
C132 C131 P72 114.18(17) . . ?
C133 C131 H131 104.8 . . ?
C132 C131 H131 104.8 . . ?
P72 C131 H131 104.8 . . ?
C134 C132 C131 110.7(2) . . ?
C134 C132 H13C 109.5 . . ?
C131 C132 H13C 109.5 . . ?
C134 C132 H13D 109.5 . . ?
C131 C132 H13D 109.5 . . ?
H13C C132 H13D 108.1 . . ?
C131 C133 C136 110.5(2) . . ?
C131 C133 H13E 109.6 . . ?
C136 C133 H13E 109.6 . . ?
C131 C133 H13F 109.6 . . ?
C136 C133 H13F 109.6 . . ?
H13E C133 H13F 108.1 . . ?
C135 C134 C132 110.5(2) . . ?
C135 C134 H13G 109.5 . . ?
C132 C134 H13G 109.5 . . ?
C135 C134 H13H 109.5 . . ?
C132 C134 H13H 109.5 . . ?
H13G C134 H13H 108.1 . . ?
C136 C135 C134 111.4(2) . . ?
C136 C135 H13I 109.4 . . ?
C134 C135 H13I 109.4 . . ?
C136 C135 H13J 109.4 . . ?
C134 C135 H13J 109.4 . . ?
H13I C135 H13J 108.0 . . ?
C135 C136 C133 111.2(2) . . ?
C135 C136 H13K 109.4 . . ?
C133 C136 H13K 109.4 . . ?
C135 C136 H13L 109.4 . . ?
C133 C136 H13L 109.4 . . ?
H13K C136 H13L 108.0 . . ?
C161 N160 C172 108.9(2) . . ?
C161 N160 C167 108.8(2) . . ?
C172 N160 C167 111.2(2) . . ?
C161 N160 C174 111.7(2) . . ?
C172 N160 C174 108.3(2) . . ?
C167 N160 C174 108.0(2) . . ?
N160 C161 C162 115.8(2) . . ?
N160 C161 H16C 108.3 . . ?
C162 C161 H16C 108.3 . . ?
N160 C161 H16D 108.3 . . ?
C162 C161 H16D 108.3 . . ?
H16C C161 H16D 107.4 . . ?
C163 C162 C161 110.4(3) . . ?
C163 C162 H16E 109.6 . . ?
C161 C162 H16E 109.6 . . ?
C163 C162 H16F 109.6 . . ?
C161 C162 H16F 109.6 . . ?
H16E C162 H16F 108.1 . . ?
C162 C163 C164 113.2(3) . . ?
C162 C163 H16G 108.9 . . ?
C164 C163 H16G 108.9 . . ?
C162 C163 H16H 108.9 . . ?
C164 C163 H16H 108.9 . . ?
H16G C163 H16H 107.7 . . ?
C163 C164 H16I 109.5 . . ?
C163 C164 H16J 109.5 . . ?
H16I C164 H16J 109.5 . . ?
C163 C164 H16K 109.5 . . ?
H16I C164 H16K 109.5 . . ?
H16J C164 H16K 109.5 . . ?
C167 C165 C168 109.5(3) . . ?
C167 C165 H16L 109.8 . . ?
C168 C165 H16L 109.8 . . ?
C167 C165 H16M 109.8 . . ?
C168 C165 H16M 109.8 . . ?
H16L C165 H16M 108.2 . . ?
C168 C166 H16N 109.5 . . ?
C168 C166 H16O 109.5 . . ?
H16N C166 H16O 109.5 . . ?
C168 C166 H16P 109.5 . . ?
H16N C166 H16P 109.5 . . ?
H16O C166 H16P 109.5 . . ?
C165 C167 N160 115.0(2) . . ?
C165 C167 H16Q 108.5 . . ?
N160 C167 H16Q 108.5 . . ?
C165 C167 H16R 108.5 . . ?
N160 C167 H16R 108.5 . . ?
H16Q C167 H16R 107.5 . . ?
C166 C168 C165 111.4(3) . . ?
C166 C168 H16S 109.3 . . ?
C165 C168 H16S 109.3 . . ?
C166 C168 H16T 109.3 . . ?
C165 C168 H16T 109.3 . . ?
H16S C168 H16T 108.0 . . ?
C170 C169 C171 112.2(3) . . ?
C170 C169 H16U 109.2 . . ?
C171 C169 H16U 109.2 . . ?
C170 C169 H16V 109.2 . . ?
C171 C169 H16V 109.2 . . ?
H16U C169 H16V 107.9 . . ?
C172 C170 C169 110.0(3) . . ?
C172 C170 H17A 109.7 . . ?
C169 C170 H17A 109.7 . . ?
C172 C170 H17B 109.7 . . ?
C169 C170 H17B 109.7 . . ?
H17A C170 H17B 108.2 . . ?
C169 C171 H17C 109.5 . . ?
C169 C171 H17D 109.5 . . ?
H17C C171 H17D 109.5 . . ?
C169 C171 H17E 109.5 . . ?
H17C C171 H17E 109.5 . . ?
H17D C171 H17E 109.5 . . ?
C170 C172 N160 115.0(2) . . ?
C170 C172 H17F 108.5 . . ?
N160 C172 H17F 108.5 . . ?
C170 C172 H17G 108.5 . . ?
N160 C172 H17G 108.5 . . ?
H17F C172 H17G 107.5 . . ?
C174 C173 C175 110.0(3) . . ?
C174 C173 H17H 109.7 . . ?
C175 C173 H17H 109.7 . . ?
C174 C173 H17I 109.7 . . ?
C175 C173 H17I 109.7 . . ?
H17H C173 H17I 108.2 . . ?
C173 C174 N160 115.2(3) . . ?
C173 C174 H17J 108.5 . . ?
N160 C174 H17J 108.5 . . ?
C173 C174 H17K 108.5 . . ?
N160 C174 H17K 108.5 . . ?
H17J C174 H17K 107.5 . . ?
C176 C175 C173 111.5(3) . . ?
C176 C175 H17L 109.3 . . ?
C173 C175 H17L 109.3 . . ?
C176 C175 H17M 109.3 . . ?
C173 C175 H17M 109.3 . . ?
H17L C175 H17M 108.0 . . ?
C175 C176 H17N 109.5 . . ?
C175 C176 H17O 109.5 . . ?
H17N C176 H17O 109.5 . . ?
C175 C176 H17P 109.5 . . ?
H17N C176 H17P 109.5 . . ?
H17O C176 H17P 109.5 . . ?
C204 O200 C203 107.9(3) . . ?
C182 C186 C185 110.6(3) . . ?
C182 C186 H18A 109.5 . . ?
C185 C186 H18A 109.5 . . ?
C182 C186 H18B 109.5 . . ?
C185 C186 H18B 109.5 . . ?
H18A C186 H18B 108.1 . . ?
C184 C185 C186 110.7(2) . . ?
C184 C185 H18C 109.5 . . ?
C186 C185 H18C 109.5 . . ?
C184 C185 H18D 109.5 . . ?
C186 C185 H18D 109.5 . . ?
H18C C185 H18D 108.1 . . ?
C183 C184 C185 111.6(2) . . ?
C183 C184 H18E 109.3 . . ?
C185 C184 H18E 109.3 . . ?
C183 C184 H18F 109.3 . . ?
C185 C184 H18F 109.3 . . ?
H18E C184 H18F 108.0 . . ?
C184 C183 C181 111.5(2) . . ?
C184 C183 H18G 109.3 . . ?
C181 C183 H18G 109.3 . . ?
C184 C183 H18H 109.3 . . ?
C181 C183 H18H 109.3 . . ?
H18G C183 H18H 108.0 . . ?
C181 C182 C186 110.6(2) . . ?
C181 C182 H18I 109.5 . . ?
C186 C182 H18I 109.5 . . ?
C181 C182 H18J 109.5 . . ?
C186 C182 H18J 109.5 . . ?
H18I C182 H18J 108.1 . . ?
C182 C181 C183 110.7(2) . . ?
C182 C181 P72 119.23(18) . . ?
C183 C181 P72 111.59(19) . . ?
C182 C181 H181 104.6 . . ?
C183 C181 H181 104.6 . . ?
P72 C181 H181 104.6 . . ?
C204 C202 C205 101.1(4) . . ?
C204 C202 H20A 111.6 . . ?
C205 C202 H20A 111.6 . . ?
C204 C202 H20B 111.6 . . ?
C205 C202 H20B 111.6 . . ?
H20A C202 H20B 109.4 . . ?
O200 C203 C205 107.4(4) . . ?
O200 C203 H20C 110.2 . . ?
C205 C203 H20C 110.2 . . ?
O200 C203 H20D 110.2 . . ?
C205 C203 H20D 110.2 . . ?
H20C C203 H20D 108.5 . . ?
O200 C204 C202 106.6(3) . . ?
O200 C204 H20E 110.4 . . ?
C202 C204 H20E 110.4 . . ?
O200 C204 H20F 110.4 . . ?
C202 C204 H20F 110.4 . . ?
H20E C204 H20F 108.6 . . ?
C202 C205 C203 101.5(4) . . ?
C202 C205 H20G 111.5 . . ?
C203 C205 H20G 111.5 . . ?
C202 C205 H20H 111.5 . . ?
C203 C205 H20H 111.5 . . ?
H20G C205 H20H 109.3 . . ?
C212 O210 C215 109.7(3) . . ?
O210 C212 C214 107.9(3) . . ?
O210 C212 H21C 110.1 . . ?
C214 C212 H21C 110.1 . . ?
O210 C212 H21D 110.1 . . ?
C214 C212 H21D 110.1 . . ?
H21C C212 H21D 108.4 . . ?
C214 C213 C215 101.5(3) . . ?
C214 C213 H21E 111.5 . . ?
C215 C213 H21E 111.5 . . ?
C214 C213 H21F 111.5 . . ?
C215 C213 H21F 111.5 . . ?
H21E C213 H21F 109.3 . . ?
C213 C214 C212 102.5(3) . . ?
C213 C214 H21G 111.3 . . ?
C212 C214 H21G 111.3 . . ?
C213 C214 H21H 111.3 . . ?
C212 C214 H21H 111.3 . . ?
H21G C214 H21H 109.2 . . ?
O210 C215 C213 105.5(3) . . ?
O210 C215 H21I 110.6 . . ?
C213 C215 H21I 110.6 . . ?
O210 C215 H21J 110.6 . . ?
C213 C215 H21J 110.6 . . ?
H21I C215 H21J 108.8 . . ?

_refine_diff_density_max         2.322
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.092

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.045 -0.022 0.193 170 29 ' '
2 -0.045 0.022 0.807 170 29 ' '
3 0.453 0.513 0.846 172 28 ' '
4 0.547 0.487 0.154 172 28 ' '
_platon_squeeze_details          
;
;

# start Validation Reply Form
_vrf_PLAT910_FlHu194             
;
PROBLEM: Missing # of FCF Reflections Below Th(Min) .....         20 Why ?
RESPONSE: These reflections were probably affected by unexpected deviations
in their intensities for symmetry equivalent measurements. Because of
restricted measurement times, it was not possible to collect additional
runs with a shorter exposure time and larger detector distance.
;
# end Validation Reply Form

_shelxl_version_number           2014-2

_database_code_depnum_ccdc_archive 'CCDC 1023368'
