
data_2
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C40 H30 Cl6 F3 N P2 Pt Sb' 
_chemical_formula_weight          1173.13

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'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.1484   0.1585
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sb'  'Sb'  -0.5866   1.5461
 '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                    11.7666(4)
_cell_length_b                    21.1781(6)
_cell_length_c                    16.7826(5)
_cell_angle_alpha                 90
_cell_angle_beta                  93.4510(10)
_cell_angle_gamma                 90
_cell_volume                      4174.5(2)
_cell_formula_units_Z             4
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     9101
_cell_measurement_theta_min       5.633
_cell_measurement_theta_max       57.104
 
_exptl_crystal_description        block
_exptl_crystal_colour             yellow
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_density_diffrn     1.867          
_exptl_crystal_F_000              2260
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.180
_exptl_crystal_size_mid           0.120
_exptl_crystal_size_min           0.100
_exptl_absorpt_coefficient_mu     4.500
_shelx_estimated_absorpt_T_min    0.498
_shelx_estimated_absorpt_T_max    0.662
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.4981
_exptl_absorpt_correction_T_max   0.6618
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       100(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             84617
_diffrn_reflns_av_unetI/netI      0.0291
_diffrn_reflns_av_R_equivalents   0.0419
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -28
_diffrn_reflns_limit_k_max        27
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        21
_diffrn_reflns_theta_min          2.590
_diffrn_reflns_theta_max          28.552
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.989
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.989
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   0.989
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              10526
_reflns_number_gt                 8807
_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        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_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)+(0.0129P)²+4.5576P] 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          10526
_refine_ls_number_parameters      488
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0381
_refine_ls_R_factor_gt            0.0250
_refine_ls_wR_factor_ref          0.0428
_refine_ls_wR_factor_gt           0.0403
_refine_ls_goodness_of_fit_ref    1.037
_refine_ls_restrained_S_all       1.037
_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_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 0.43106(2) 0.24451(2) 0.63170(2) 0.01191(3) Uani 1 1 d . . . . .
Sb1 Sb 0.65052(2) 0.24605(2) 0.63510(2) 0.01233(4) Uani 1 1 d . . . . .
Cl1 Cl 1.11872(7) 0.19969(4) 0.80735(5) 0.03734(18) Uani 1 1 d . . . . .
P1 P 0.44685(5) 0.34392(3) 0.68517(4) 0.01312(12) Uani 1 1 d . . . . .
F1 F 0.81818(12) 0.24766(7) 0.64040(11) 0.0319(4) Uani 1 1 d . . . . .
C1 C 0.6662(2) 0.34766(11) 0.63432(14) 0.0148(5) Uani 1 1 d . . . . .
Cl2 Cl 0.90402(6) 0.16332(4) 0.86736(5) 0.03679(18) Uani 1 1 d . . . . .
P2 P 0.44751(5) 0.14527(3) 0.58074(4) 0.01319(12) Uani 1 1 d . . . . .
F2 F 0.65894(12) 0.24629(6) 0.51690(8) 0.0212(3) Uani 1 1 d . . . . .
C2 C 0.7645(2) 0.37851(12) 0.61270(15) 0.0193(5) Uani 1 1 d . . . . .
H2 H 0.8282 0.3546 0.5979 0.023 Uiso 1 1 calc R U . . .
Cl3 Cl 1.10812(7) 0.09411(4) 0.91599(5) 0.03960(19) Uani 1 1 d . . . . .
F3 F 0.66463(13) 0.24681(6) 0.75333(8) 0.0216(3) Uani 1 1 d . . . . .
N3 N 0.25029(18) 0.24890(9) 0.62534(13) 0.0201(4) Uani 1 1 d . . . . .
C3 C 0.7697(2) 0.44385(12) 0.61268(16) 0.0223(6) Uani 1 1 d . . . . .
H3 H 0.8372 0.4643 0.5980 0.027 Uiso 1 1 calc R U . . .
Cl4 Cl 0.58228(6) 0.09464(3) 0.82535(4) 0.03060(16) Uani 1 1 d . . . . .
C4 C 0.6781(2) 0.47971(12) 0.63368(16) 0.0229(6) Uani 1 1 d . . . . .
H4 H 0.6824 0.5245 0.6331 0.027 Uiso 1 1 calc R U . . .
Cl5 Cl 0.63255(6) 0.20199(3) 0.92753(4) 0.02988(15) Uani 1 1 d . . . . .
C5 C 0.5801(2) 0.44998(11) 0.65552(15) 0.0204(6) Uani 1 1 d . . . . .
H5 H 0.5167 0.4743 0.6700 0.025 Uiso 1 1 calc R U . . .
Cl6 Cl 0.40159(6) 0.15580(4) 0.90425(6) 0.0440(2) Uani 1 1 d . . . . .
C6 C 0.5745(2) 0.38398(11) 0.65622(14) 0.0155(5) Uani 1 1 d . . . . .
C7 C 0.3299(2) 0.39593(11) 0.65199(15) 0.0152(5) Uani 1 1 d . . . . .
C8 C 0.2997(2) 0.39831(12) 0.57044(15) 0.0229(6) Uani 1 1 d . . . . .
H8 H 0.3402 0.3735 0.5345 0.027 Uiso 1 1 calc R U . . .
C9 C 0.2114(3) 0.43655(12) 0.54158(17) 0.0282(6) Uani 1 1 d . . . . .
H9 H 0.1917 0.4380 0.4859 0.034 Uiso 1 1 calc R U . . .
C10 C 0.1518(2) 0.47270(12) 0.59344(17) 0.0269(6) Uani 1 1 d . . . . .
H10 H 0.0910 0.4988 0.5734 0.032 Uiso 1 1 calc R U . . .
C11 C 0.1806(2) 0.47081(13) 0.67411(18) 0.0297(7) Uani 1 1 d . . . . .
H11 H 0.1398 0.4959 0.7097 0.036 Uiso 1 1 calc R U . . .
C12 C 0.2692(2) 0.43232(12) 0.70364(16) 0.0222(6) Uani 1 1 d . . . . .
H12 H 0.2883 0.4309 0.7594 0.027 Uiso 1 1 calc R U . . .
C13 C 0.4507(2) 0.34633(11) 0.79360(14) 0.0157(5) Uani 1 1 d . . . . .
C14 C 0.5420(2) 0.37184(11) 0.83921(15) 0.0205(6) Uani 1 1 d . . . . .
H14 H 0.6057 0.3882 0.8138 0.025 Uiso 1 1 calc R U . . .
C15 C 0.5401(2) 0.37339(12) 0.92204(16) 0.0258(6) Uani 1 1 d . . . . .
H15 H 0.6027 0.3908 0.9530 0.031 Uiso 1 1 calc R U . . .
C16 C 0.4476(3) 0.34972(13) 0.95941(16) 0.0287(7) Uani 1 1 d . . . . .
H16 H 0.4460 0.3517 1.0159 0.034 Uiso 1 1 calc R U . . .
C17 C 0.3574(2) 0.32319(12) 0.91451(16) 0.0258(6) Uani 1 1 d . . . . .
H17 H 0.2942 0.3065 0.9402 0.031 Uiso 1 1 calc R U . . .
C18 C 0.3591(2) 0.32101(12) 0.83231(16) 0.0221(6) Uani 1 1 d . . . . .
H18 H 0.2975 0.3021 0.8018 0.027 Uiso 1 1 calc R U . . .
C19 C 0.6726(2) 0.14472(11) 0.63756(14) 0.0155(5) Uani 1 1 d . . . . .
C20 C 0.7751(2) 0.11591(12) 0.66291(15) 0.0193(5) Uani 1 1 d . . . . .
H20 H 0.8411 0.1410 0.6742 0.023 Uiso 1 1 calc R U . . .
C21 C 0.7812(2) 0.05070(12) 0.67167(15) 0.0225(6) Uani 1 1 d . . . . .
H21 H 0.8513 0.0315 0.6890 0.027 Uiso 1 1 calc R U . . .
C22 C 0.6858(2) 0.01345(12) 0.65535(15) 0.0230(6) Uani 1 1 d . . . . .
H22 H 0.6900 -0.0310 0.6629 0.028 Uiso 1 1 calc R U . . .
C23 C 0.5842(2) 0.04123(11) 0.62806(15) 0.0195(5) Uani 1 1 d . . . . .
H23 H 0.5190 0.0158 0.6155 0.023 Uiso 1 1 calc R U . . .
C24 C 0.5779(2) 0.10684(11) 0.61900(14) 0.0155(5) Uani 1 1 d . . . . .
C25 C 0.4536(2) 0.14407(10) 0.47296(14) 0.0149(5) Uani 1 1 d . . . . .
C26 C 0.5440(2) 0.11744(12) 0.43531(15) 0.0201(5) Uani 1 1 d . . . . .
H26 H 0.6068 0.1001 0.4661 0.024 Uiso 1 1 calc R U . . .
C27 C 0.5423(3) 0.11616(14) 0.35261(16) 0.0292(7) Uani 1 1 d . . . . .
H27 H 0.6037 0.0975 0.3269 0.035 Uiso 1 1 calc R U . . .
C28 C 0.4520(3) 0.14183(14) 0.30765(17) 0.0325(7) Uani 1 1 d . . . . .
H28 H 0.4508 0.1401 0.2510 0.039 Uiso 1 1 calc R U . . .
C29 C 0.3631(3) 0.17009(13) 0.34449(17) 0.0296(7) Uani 1 1 d . . . . .
H29 H 0.3019 0.1887 0.3133 0.036 Uiso 1 1 calc R U . . .
C30 C 0.3638(2) 0.17115(11) 0.42687(16) 0.0223(6) Uani 1 1 d . . . . .
H30 H 0.3026 0.1904 0.4523 0.027 Uiso 1 1 calc R U . . .
C31 C 0.3300(2) 0.09213(11) 0.59806(15) 0.0165(5) Uani 1 1 d . . . . .
C32 C 0.2987(2) 0.04450(11) 0.54420(16) 0.0201(5) Uani 1 1 d . . . . .
H32 H 0.3420 0.0378 0.4990 0.024 Uiso 1 1 calc R U . . .
C33 C 0.2052(2) 0.00662(12) 0.55563(17) 0.0246(6) Uani 1 1 d . . . . .
H33 H 0.1855 -0.0262 0.5188 0.030 Uiso 1 1 calc R U . . .
C34 C 0.1406(3) 0.01655(13) 0.62049(18) 0.0305(7) Uani 1 1 d . . . . .
H34 H 0.0750 -0.0085 0.6276 0.037 Uiso 1 1 calc R U . . .
C35 C 0.1720(3) 0.06335(13) 0.67513(18) 0.0330(7) Uani 1 1 d . . . . .
H35 H 0.1286 0.0697 0.7204 0.040 Uiso 1 1 calc R U . . .
C36 C 0.2663(2) 0.10095(12) 0.66447(16) 0.0245(6) Uani 1 1 d . . . . .
H36 H 0.2874 0.1327 0.7025 0.029 Uiso 1 1 calc R U . . .
C37 C 0.1584(2) 0.26357(12) 0.62127(16) 0.0225(6) Uani 1 1 d . . . . .
C38 C 0.0401(2) 0.28686(18) 0.61566(17) 0.0380(8) Uani 1 1 d . . . . .
H38A H 0.0403 0.3331 0.6146 0.057 Uiso 1 1 calc R U . . .
H38B H 0.0007 0.2721 0.6620 0.057 Uiso 1 1 calc R U . . .
H38C H 0.0008 0.2708 0.5666 0.057 Uiso 1 1 calc R U . . .
C39 C 1.0515(2) 0.16891(12) 0.88998(16) 0.0249(6) Uani 1 1 d . . . . .
H39 H 1.0654 0.1982 0.9363 0.030 Uiso 1 1 calc R U . . .
C40 C 0.5313(2) 0.16754(12) 0.85994(16) 0.0232(6) Uani 1 1 d . . . . .
H40 H 0.5179 0.1965 0.8133 0.028 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 N3 2.125(2) . ?
Pt1 P2 2.2816(6) . ?
Pt1 P1 2.2918(6) . ?
Pt1 Sb1 2.57974(19) . ?
Sb1 F1 1.9697(14) . ?
Sb1 F3 1.9811(14) . ?
Sb1 F2 1.9922(13) . ?
Sb1 C1 2.160(2) . ?
Sb1 C19 2.162(2) . ?
Cl1 C39 1.762(3) . ?
P1 C6 1.817(2) . ?
P1 C13 1.818(2) . ?
P1 C7 1.824(2) . ?
C1 C6 1.392(3) . ?
C1 C2 1.395(3) . ?
Cl2 C39 1.758(3) . ?
P2 C25 1.815(2) . ?
P2 C31 1.819(2) . ?
P2 C24 1.820(2) . ?
C2 C3 1.385(3) . ?
Cl3 C39 1.763(3) . ?
N3 C37 1.123(3) . ?
C3 C4 1.381(4) . ?
Cl4 C40 1.767(3) . ?
C4 C5 1.383(4) . ?
Cl5 C40 1.754(3) . ?
C5 C6 1.400(3) . ?
Cl6 C40 1.755(3) . ?
C7 C12 1.389(3) . ?
C7 C8 1.394(4) . ?
C8 C9 1.382(4) . ?
C9 C10 1.382(4) . ?
C10 C11 1.376(4) . ?
C11 C12 1.391(4) . ?
C13 C14 1.390(4) . ?
C13 C18 1.399(3) . ?
C14 C15 1.392(4) . ?
C15 C16 1.383(4) . ?
C16 C17 1.384(4) . ?
C17 C18 1.382(4) . ?
C19 C24 1.393(3) . ?
C19 C20 1.395(3) . ?
C20 C21 1.390(3) . ?
C21 C22 1.386(4) . ?
C22 C23 1.385(4) . ?
C23 C24 1.399(3) . ?
C25 C26 1.389(3) . ?
C25 C30 1.395(3) . ?
C26 C27 1.387(4) . ?
C27 C28 1.377(4) . ?
C28 C29 1.383(4) . ?
C29 C30 1.382(4) . ?
C31 C32 1.389(3) . ?
C31 C36 1.393(4) . ?
C32 C33 1.384(4) . ?
C33 C34 1.381(4) . ?
C34 C35 1.385(4) . ?
C35 C36 1.385(4) . ?
C37 C38 1.474(4) . ?
 
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
N3 Pt1 P2 97.40(6) . . ?
N3 Pt1 P1 92.11(6) . . ?
P2 Pt1 P1 170.49(2) . . ?
N3 Pt1 Sb1 176.39(6) . . ?
P2 Pt1 Sb1 84.981(16) . . ?
P1 Pt1 Sb1 85.542(16) . . ?
F1 Sb1 F3 86.06(7) . . ?
F1 Sb1 F2 86.29(7) . . ?
F3 Sb1 F2 172.33(6) . . ?
F1 Sb1 C1 84.10(8) . . ?
F3 Sb1 C1 89.77(7) . . ?
F2 Sb1 C1 88.96(7) . . ?
F1 Sb1 C19 84.10(8) . . ?
F3 Sb1 C19 89.21(7) . . ?
F2 Sb1 C19 90.48(7) . . ?
C1 Sb1 C19 168.20(9) . . ?
F1 Sb1 Pt1 178.65(6) . . ?
F3 Sb1 Pt1 92.62(4) . . ?
F2 Sb1 Pt1 95.03(4) . . ?
C1 Sb1 Pt1 95.65(6) . . ?
C19 Sb1 Pt1 96.15(7) . . ?
C6 P1 C13 106.45(11) . . ?
C6 P1 C7 104.92(11) . . ?
C13 P1 C7 105.17(11) . . ?
C6 P1 Pt1 111.91(8) . . ?
C13 P1 Pt1 114.47(8) . . ?
C7 P1 Pt1 113.16(8) . . ?
C6 C1 C2 118.5(2) . . ?
C6 C1 Sb1 118.73(17) . . ?
C2 C1 Sb1 122.74(18) . . ?
C25 P2 C31 103.10(11) . . ?
C25 P2 C24 105.20(11) . . ?
C31 P2 C24 107.43(11) . . ?
C25 P2 Pt1 113.33(8) . . ?
C31 P2 Pt1 115.31(8) . . ?
C24 P2 Pt1 111.62(8) . . ?
C3 C2 C1 120.3(2) . . ?
C37 N3 Pt1 166.4(2) . . ?
C4 C3 C2 120.9(2) . . ?
C3 C4 C5 119.6(2) . . ?
C4 C5 C6 119.8(2) . . ?
C1 C6 C5 120.8(2) . . ?
C1 C6 P1 118.63(17) . . ?
C5 C6 P1 120.57(19) . . ?
C12 C7 C8 118.9(2) . . ?
C12 C7 P1 123.47(19) . . ?
C8 C7 P1 117.67(18) . . ?
C9 C8 C7 120.5(2) . . ?
C10 C9 C8 120.2(3) . . ?
C11 C10 C9 120.0(3) . . ?
C10 C11 C12 120.1(3) . . ?
C7 C12 C11 120.4(2) . . ?
C14 C13 C18 119.0(2) . . ?
C14 C13 P1 122.28(19) . . ?
C18 C13 P1 118.72(19) . . ?
C13 C14 C15 120.1(3) . . ?
C16 C15 C14 120.3(3) . . ?
C15 C16 C17 120.0(3) . . ?
C18 C17 C16 120.0(3) . . ?
C17 C18 C13 120.6(3) . . ?
C24 C19 C20 118.8(2) . . ?
C24 C19 Sb1 118.27(17) . . ?
C20 C19 Sb1 122.75(18) . . ?
C21 C20 C19 120.3(2) . . ?
C22 C21 C20 120.6(2) . . ?
C23 C22 C21 119.7(2) . . ?
C22 C23 C24 119.8(2) . . ?
C19 C24 C23 120.8(2) . . ?
C19 C24 P2 117.87(18) . . ?
C23 C24 P2 121.4(2) . . ?
C26 C25 C30 119.3(2) . . ?
C26 C25 P2 122.46(19) . . ?
C30 C25 P2 118.20(19) . . ?
C27 C26 C25 119.9(2) . . ?
C28 C27 C26 120.3(3) . . ?
C27 C28 C29 120.3(3) . . ?
C30 C29 C28 119.7(3) . . ?
C29 C30 C25 120.4(3) . . ?
C32 C31 C36 118.9(2) . . ?
C32 C31 P2 121.3(2) . . ?
C36 C31 P2 119.72(19) . . ?
C33 C32 C31 120.8(2) . . ?
C34 C33 C32 120.1(2) . . ?
C33 C34 C35 119.5(3) . . ?
C36 C35 C34 120.7(3) . . ?
C35 C36 C31 120.0(2) . . ?
N3 C37 C38 176.5(3) . . ?
Cl2 C39 Cl1 109.81(15) . . ?
Cl2 C39 Cl3 110.26(14) . . ?
Cl1 C39 Cl3 110.27(15) . . ?
Cl5 C40 Cl6 111.05(15) . . ?
Cl5 C40 Cl4 110.17(15) . . ?
Cl6 C40 Cl4 109.67(14) . . ?
 
_refine_diff_density_max    0.566
_refine_diff_density_min   -0.746
_refine_diff_density_rms    0.124



****

 
data_3
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C44 H41 Cl2 F3 N P2 Pt Sb' 
_chemical_formula_weight          1090.46

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'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.1484   0.1585
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sb'  'Sb'  -0.5866   1.5461
 '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                    9.675(5)
_cell_length_b                    13.608(7)
_cell_length_c                    17.248(9)
_cell_angle_alpha                 69.737(5)
_cell_angle_beta                  77.030(5)
_cell_angle_gamma                 80.654(5)
_cell_volume                      2067.0(18)
_cell_formula_units_Z             2
_cell_measurement_temperature     110(2)
_cell_measurement_reflns_used     7758
_cell_measurement_theta_min       4.620
_cell_measurement_theta_max       56.218
 
_exptl_crystal_description        needle	
_exptl_crystal_colour             colorless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.752          
_exptl_crystal_F_000              1064
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.100
_exptl_crystal_size_mid           0.070
_exptl_crystal_size_min           0.050
_exptl_absorpt_coefficient_mu     4.286
_shelx_estimated_absorpt_T_min    0.674
_shelx_estimated_absorpt_T_max    0.814
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.6738
_exptl_absorpt_correction_T_max   0.8142
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    SADABS
_diffrn_ambient_temperature       110(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'CCD area detector'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             25366
_diffrn_reflns_av_unetI/netI      0.0695
_diffrn_reflns_av_R_equivalents   0.0524
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -18
_diffrn_reflns_limit_k_max        18
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_theta_min          2.310
_diffrn_reflns_theta_max          28.650
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.968
_diffrn_measured_fraction_theta_full  0.996
_diffrn_reflns_Laue_measured_fraction_max    0.968
_diffrn_reflns_Laue_measured_fraction_full   0.996
_diffrn_reflns_point_group_measured_fraction_max   0.968
_diffrn_reflns_point_group_measured_fraction_full  0.996
_reflns_number_total              10270
_reflns_number_gt                 8452
_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        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_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)+(0.0301P)²] 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          10270
_refine_ls_number_parameters      487
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0484
_refine_ls_R_factor_gt            0.0360
_refine_ls_wR_factor_ref          0.0857
_refine_ls_wR_factor_gt           0.0797
_refine_ls_goodness_of_fit_ref    1.011
_refine_ls_restrained_S_all       1.011
_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 0.05838(2) 0.26234(2) 0.21908(2) 0.01621(5) Uani 1 1 d . . . . .
Sb1 Sb 0.29398(3) 0.30297(2) 0.24827(2) 0.01745(7) Uani 1 1 d . . . . .
Cl1 Cl 0.2108(2) -0.33559(13) 0.30007(10) 0.0626(5) Uani 1 1 d . . . . .
P1 P -0.05300(11) 0.29519(9) 0.34063(7) 0.0165(2) Uani 1 1 d . . . . .
F1 F 0.4791(3) 0.3143(2) 0.27398(17) 0.0316(7) Uani 1 1 d . . . . .
N1 N -0.2099(4) 0.1688(3) 0.2060(2) 0.0204(8) Uani 1 1 d . . . . .
C1 C 0.2149(5) 0.2948(4) 0.3786(3) 0.0212(9) Uani 1 1 d . . . . .
Cl2 Cl 0.36439(18) -0.44247(16) 0.43960(12) 0.0663(5) Uani 1 1 d . . . . .
P2 P 0.19713(12) 0.23527(9) 0.10045(7) 0.0185(2) Uani 1 1 d . . . . .
F2 F 0.2628(3) 0.4585(2) 0.22170(16) 0.0283(6) Uani 1 1 d . . . . .
C2 C 0.3037(5) 0.2914(4) 0.4338(3) 0.0275(11) Uani 1 1 d . . . . .
H2 H 0.4042 0.2847 0.4164 0.033 Uiso 1 1 calc R U . . .
F3 F 0.3576(3) 0.1501(2) 0.28370(16) 0.0261(6) Uani 1 1 d . . . . .
C3 C 0.2469(5) 0.2977(4) 0.5128(3) 0.0306(11) Uani 1 1 d . . . . .
H3 H 0.3084 0.2963 0.5491 0.037 Uiso 1 1 calc R U . . .
C4 C 0.0995(5) 0.3059(4) 0.5400(3) 0.0277(11) Uani 1 1 d . . . . .
H4 H 0.0609 0.3110 0.5944 0.033 Uiso 1 1 calc R U . . .
C5 C 0.0098(5) 0.3068(4) 0.4875(3) 0.0225(10) Uani 1 1 d . . . . .
H5 H -0.0904 0.3113 0.5061 0.027 Uiso 1 1 calc R U . . .
C6 C 0.0669(4) 0.3010(3) 0.4070(3) 0.0192(9) Uani 1 1 d . . . . .
C7 C -0.1669(4) 0.4181(3) 0.3178(3) 0.0178(9) Uani 1 1 d . . . . .
C8 C -0.1305(5) 0.5082(4) 0.3265(3) 0.0225(10) Uani 1 1 d . . . . .
H8 H -0.0501 0.5049 0.3507 0.027 Uiso 1 1 calc R U . . .
C9 C -0.2133(5) 0.6032(4) 0.2992(3) 0.0275(11) Uani 1 1 d . . . . .
H9 H -0.1885 0.6649 0.3048 0.033 Uiso 1 1 calc R U . . .
C10 C -0.3297(5) 0.6090(4) 0.2645(3) 0.0291(11) Uani 1 1 d . . . . .
H10 H -0.3852 0.6743 0.2464 0.035 Uiso 1 1 calc R U . . .
C11 C -0.3668(5) 0.5187(4) 0.2559(3) 0.0279(11) Uani 1 1 d . . . . .
H11 H -0.4475 0.5225 0.2319 0.034 Uiso 1 1 calc R U . . .
C12 C -0.2855(4) 0.4238(4) 0.2825(3) 0.0223(10) Uani 1 1 d . . . . .
H12 H -0.3106 0.3624 0.2766 0.027 Uiso 1 1 calc R U . . .
C13 C -0.1653(4) 0.1923(4) 0.4115(3) 0.0203(9) Uani 1 1 d . . . . .
C14 C -0.2943(5) 0.2132(4) 0.4599(3) 0.0306(11) Uani 1 1 d . . . . .
H14 H -0.3319 0.2838 0.4541 0.037 Uiso 1 1 calc R U . . .
C15 C -0.3684(5) 0.1308(4) 0.5167(3) 0.0393(13) Uani 1 1 d . . . . .
H15 H -0.4573 0.1457 0.5493 0.047 Uiso 1 1 calc R U . . .
C16 C -0.3159(5) 0.0275(4) 0.5269(3) 0.0344(12) Uani 1 1 d . . . . .
H16 H -0.3672 -0.0283 0.5667 0.041 Uiso 1 1 calc R U . . .
C17 C -0.1865(5) 0.0061(4) 0.4781(3) 0.0284(11) Uani 1 1 d . . . . .
H17 H -0.1497 -0.0647 0.4840 0.034 Uiso 1 1 calc R U . . .
C18 C -0.1118(5) 0.0876(4) 0.4213(3) 0.0215(9) Uani 1 1 d . . . . .
H18 H -0.0233 0.0725 0.3884 0.026 Uiso 1 1 calc R U . . .
C19 C 0.4171(4) 0.3260(3) 0.1224(3) 0.0187(9) Uani 1 1 d . . . . .
C20 C 0.5474(4) 0.3722(3) 0.0944(3) 0.0223(10) Uani 1 1 d . . . . .
H20 H 0.5851 0.3937 0.1317 0.027 Uiso 1 1 calc R U . . .
C21 C 0.6207(5) 0.3863(4) 0.0131(3) 0.0258(10) Uani 1 1 d . . . . .
H21 H 0.7093 0.4162 -0.0043 0.031 Uiso 1 1 calc R U . . .
C22 C 0.5666(5) 0.3575(4) -0.0438(3) 0.0253(10) Uani 1 1 d . . . . .
H22 H 0.6171 0.3684 -0.0996 0.030 Uiso 1 1 calc R U . . .
C23 C 0.4385(5) 0.3126(4) -0.0175(3) 0.0223(10) Uani 1 1 d . . . . .
H23 H 0.4005 0.2928 -0.0556 0.027 Uiso 1 1 calc R U . . .
C24 C 0.3639(4) 0.2961(3) 0.0657(3) 0.0208(9) Uani 1 1 d . . . . .
C25 C 0.1088(4) 0.2852(4) 0.0096(3) 0.0202(9) Uani 1 1 d . . . . .
C26 C 0.1006(5) 0.3922(4) -0.0344(3) 0.0251(10) Uani 1 1 d . . . . .
H26 H 0.1486 0.4372 -0.0199 0.030 Uiso 1 1 calc R U . . .
C27 C 0.0235(5) 0.4344(4) -0.0990(3) 0.0288(11) Uani 1 1 d . . . . .
H27 H 0.0197 0.5077 -0.1287 0.035 Uiso 1 1 calc R U . . .
C28 C -0.0484(5) 0.3700(4) -0.1209(3) 0.0306(11) Uani 1 1 d . . . . .
H28 H -0.1012 0.3987 -0.1652 0.037 Uiso 1 1 calc R U . . .
C29 C -0.0416(5) 0.2636(4) -0.0768(3) 0.0282(11) Uani 1 1 d . . . . .
H29 H -0.0902 0.2190 -0.0913 0.034 Uiso 1 1 calc R U . . .
C30 C 0.0355(4) 0.2203(4) -0.0115(3) 0.0230(10) Uani 1 1 d . . . . .
H30 H 0.0381 0.1471 0.0186 0.028 Uiso 1 1 calc R U . . .
C31 C 0.2482(5) 0.0951(4) 0.1168(3) 0.0215(9) Uani 1 1 d . . . . .
C32 C 0.3047(5) 0.0550(4) 0.0507(3) 0.0250(10) Uani 1 1 d . . . . .
H32 H 0.3139 0.1010 -0.0057 0.030 Uiso 1 1 calc R U . . .
C33 C 0.3475(5) -0.0514(4) 0.0667(3) 0.0303(11) Uani 1 1 d . . . . .
H33 H 0.3832 -0.0783 0.0213 0.036 Uiso 1 1 calc R U . . .
C34 C 0.3383(6) -0.1175(4) 0.1475(4) 0.0408(13) Uani 1 1 d . . . . .
H34 H 0.3685 -0.1902 0.1582 0.049 Uiso 1 1 calc R U . . .
C35 C 0.2847(7) -0.0788(4) 0.2147(3) 0.0446(15) Uani 1 1 d . . . . .
H35 H 0.2808 -0.1249 0.2708 0.053 Uiso 1 1 calc R U . . .
C36 C 0.2375(6) 0.0264(4) 0.1998(3) 0.0335(12) Uani 1 1 d . . . . .
H36 H 0.1979 0.0521 0.2455 0.040 Uiso 1 1 calc R U . . .
C37 C -0.1138(4) 0.2087(3) 0.2065(3) 0.0207(9) Uani 1 1 d . . . . .
C38 C -0.3289(4) 0.1121(4) 0.2103(3) 0.0209(9) Uani 1 1 d . . . . .
H38 H -0.4185 0.1604 0.2110 0.025 Uiso 1 1 calc R U . . .
C39 C -0.3424(5) 0.0197(4) 0.2912(3) 0.0300(11) Uani 1 1 d . . . . .
H39A H -0.4324 -0.0116 0.2997 0.036 Uiso 1 1 calc R U . . .
H39B H -0.3467 0.0450 0.3391 0.036 Uiso 1 1 calc R U . . .
C40 C -0.2176(6) -0.0646(4) 0.2897(4) 0.0469(15) Uani 1 1 d . . . . .
H40A H -0.1290 -0.0359 0.2881 0.056 Uiso 1 1 calc R U . . .
H40B H -0.2337 -0.1254 0.3417 0.056 Uiso 1 1 calc R U . . .
C41 C -0.2004(7) -0.1010(5) 0.2142(4) 0.0563(18) Uani 1 1 d . . . . .
H41A H -0.2860 -0.1346 0.2177 0.068 Uiso 1 1 calc R U . . .
H41B H -0.1170 -0.1539 0.2139 0.068 Uiso 1 1 calc R U . . .
C42 C -0.1793(6) -0.0068(4) 0.1327(3) 0.0397(13) Uani 1 1 d . . . . .
H42A H -0.0895 0.0231 0.1273 0.048 Uiso 1 1 calc R U . . .
H42B H -0.1714 -0.0309 0.0839 0.048 Uiso 1 1 calc R U . . .
C43 C -0.3029(5) 0.0780(4) 0.1325(3) 0.0312(11) Uani 1 1 d . . . . .
H43A H -0.3902 0.0510 0.1299 0.037 Uiso 1 1 calc R U . . .
H43B H -0.2825 0.1398 0.0817 0.037 Uiso 1 1 calc R U . . .
C44 C 0.2645(6) -0.4572(5) 0.3705(4) 0.0457(15) Uani 1 1 d . . . . .
H44A H 0.3229 -0.5019 0.3382 0.055 Uiso 1 1 calc R U . . .
H44B H 0.1791 -0.4935 0.4039 0.055 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 C37 2.006(4) . ?
Pt1 P1 2.2881(14) . ?
Pt1 P2 2.2920(14) . ?
Pt1 Sb1 2.6215(11) . ?
Sb1 F1 1.981(3) . ?
Sb1 F3 1.987(3) . ?
Sb1 F2 1.991(3) . ?
Sb1 C19 2.173(4) . ?
Sb1 C1 2.175(4) . ?
Cl1 C44 1.760(6) . ?
P1 C7 1.819(4) . ?
P1 C13 1.830(5) . ?
P1 C6 1.830(4) . ?
N1 C37 1.153(5) . ?
N1 C38 1.462(5) . ?
C1 C2 1.404(6) . ?
C1 C6 1.405(6) . ?
Cl2 C44 1.772(6) . ?
P2 C24 1.818(4) . ?
P2 C25 1.823(4) . ?
P2 C31 1.829(5) . ?
C2 C3 1.377(7) . ?
C3 C4 1.397(6) . ?
C4 C5 1.384(6) . ?
C5 C6 1.399(6) . ?
C7 C8 1.393(6) . ?
C7 C12 1.394(6) . ?
C8 C9 1.396(6) . ?
C9 C10 1.369(6) . ?
C10 C11 1.398(7) . ?
C11 C12 1.385(6) . ?
C13 C14 1.384(6) . ?
C13 C18 1.401(6) . ?
C14 C15 1.384(7) . ?
C15 C16 1.380(7) . ?
C16 C17 1.392(7) . ?
C17 C18 1.380(6) . ?
C19 C24 1.398(6) . ?
C19 C20 1.411(6) . ?
C20 C21 1.385(6) . ?
C21 C22 1.398(6) . ?
C22 C23 1.384(6) . ?
C23 C24 1.413(6) . ?
C25 C26 1.388(6) . ?
C25 C30 1.398(6) . ?
C26 C27 1.386(6) . ?
C27 C28 1.392(7) . ?
C28 C29 1.381(7) . ?
C29 C30 1.396(6) . ?
C31 C32 1.398(6) . ?
C31 C36 1.404(6) . ?
C32 C33 1.387(6) . ?
C33 C34 1.364(7) . ?
C34 C35 1.398(7) . ?
C35 C36 1.381(7) . ?
C38 C39 1.517(6) . ?
C38 C43 1.522(6) . ?
C39 C40 1.526(7) . ?
C40 C41 1.513(8) . ?
C41 C42 1.539(8) . ?
C42 C43 1.520(7) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
C37 Pt1 P1 93.45(13) . . ?
C37 Pt1 P2 94.20(13) . . ?
P1 Pt1 P2 172.31(4) . . ?
C37 Pt1 Sb1 171.38(13) . . ?
P1 Pt1 Sb1 86.70(4) . . ?
P2 Pt1 Sb1 85.62(4) . . ?
F1 Sb1 F3 82.95(12) . . ?
F1 Sb1 F2 85.97(12) . . ?
F3 Sb1 F2 168.74(11) . . ?
F1 Sb1 C19 83.10(14) . . ?
F3 Sb1 C19 91.63(13) . . ?
F2 Sb1 C19 89.00(14) . . ?
F1 Sb1 C1 83.49(14) . . ?
F3 Sb1 C1 90.72(14) . . ?
F2 Sb1 C1 86.05(14) . . ?
C19 Sb1 C1 165.99(16) . . ?
F1 Sb1 Pt1 172.75(9) . . ?
F3 Sb1 Pt1 89.81(8) . . ?
F2 Sb1 Pt1 101.28(8) . . ?
C19 Sb1 Pt1 96.86(12) . . ?
C1 Sb1 Pt1 96.95(12) . . ?
C7 P1 C13 107.1(2) . . ?
C7 P1 C6 108.0(2) . . ?
C13 P1 C6 102.6(2) . . ?
C7 P1 Pt1 110.63(14) . . ?
C13 P1 Pt1 113.09(15) . . ?
C6 P1 Pt1 114.84(15) . . ?
C37 N1 C38 176.1(5) . . ?
C2 C1 C6 118.3(4) . . ?
C2 C1 Sb1 123.3(3) . . ?
C6 C1 Sb1 118.2(3) . . ?
C24 P2 C25 105.0(2) . . ?
C24 P2 C31 105.2(2) . . ?
C25 P2 C31 106.9(2) . . ?
C24 P2 Pt1 114.66(15) . . ?
C25 P2 Pt1 113.23(14) . . ?
C31 P2 Pt1 111.20(15) . . ?
C3 C2 C1 120.8(4) . . ?
C2 C3 C4 120.5(4) . . ?
C5 C4 C3 119.7(4) . . ?
C4 C5 C6 120.0(4) . . ?
C5 C6 C1 120.6(4) . . ?
C5 C6 P1 119.3(3) . . ?
C1 C6 P1 120.1(3) . . ?
C8 C7 C12 119.9(4) . . ?
C8 C7 P1 121.6(3) . . ?
C12 C7 P1 118.2(3) . . ?
C7 C8 C9 119.2(4) . . ?
C10 C9 C8 121.0(4) . . ?
C9 C10 C11 119.9(5) . . ?
C12 C11 C10 119.8(4) . . ?
C11 C12 C7 120.2(4) . . ?
C14 C13 C18 119.1(4) . . ?
C14 C13 P1 123.1(4) . . ?
C18 C13 P1 117.6(3) . . ?
C15 C14 C13 119.8(5) . . ?
C16 C15 C14 121.4(5) . . ?
C15 C16 C17 119.1(5) . . ?
C18 C17 C16 120.1(5) . . ?
C17 C18 C13 120.6(4) . . ?
C24 C19 C20 118.3(4) . . ?
C24 C19 Sb1 118.9(3) . . ?
C20 C19 Sb1 122.8(3) . . ?
C21 C20 C19 120.5(4) . . ?
C20 C21 C22 121.1(4) . . ?
C23 C22 C21 119.1(4) . . ?
C22 C23 C24 120.3(4) . . ?
C19 C24 C23 120.7(4) . . ?
C19 C24 P2 119.2(3) . . ?
C23 C24 P2 120.2(3) . . ?
C26 C25 C30 118.8(4) . . ?
C26 C25 P2 119.3(3) . . ?
C30 C25 P2 121.5(3) . . ?
C27 C26 C25 121.0(4) . . ?
C26 C27 C28 120.5(5) . . ?
C29 C28 C27 118.7(4) . . ?
C28 C29 C30 121.3(5) . . ?
C29 C30 C25 119.7(4) . . ?
C32 C31 C36 119.0(4) . . ?
C32 C31 P2 122.8(4) . . ?
C36 C31 P2 118.1(3) . . ?
C33 C32 C31 120.5(4) . . ?
C34 C33 C32 120.1(5) . . ?
C33 C34 C35 120.4(5) . . ?
C36 C35 C34 120.2(5) . . ?
C35 C36 C31 119.7(5) . . ?
N1 C37 Pt1 172.9(4) . . ?
N1 C38 C39 108.6(4) . . ?
N1 C38 C43 108.9(4) . . ?
C39 C38 C43 112.5(4) . . ?
C38 C39 C40 111.8(4) . . ?
C41 C40 C39 111.4(5) . . ?
C40 C41 C42 110.0(5) . . ?
C43 C42 C41 111.2(4) . . ?
C42 C43 C38 112.0(4) . . ?
Cl1 C44 Cl2 112.2(3) . . ?
 
_refine_diff_density_max    1.147
_refine_diff_density_min   -1.570
_refine_diff_density_rms    0.170




****

 
data_4
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C79.01 H62 F9.03 N2 O11.03 P4 Pt2 S3.01 Sb2' 
_chemical_formula_weight          2241.53

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'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 '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'
 'Pt'  'Pt'  -1.7033   8.3905
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S'  'S'   0.1246   0.1234
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sb'  'Sb'  -0.5866   1.5461
 '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                    12.914(5)
_cell_length_b                    13.432(5)
_cell_length_c                    13.461(5)
_cell_angle_alpha                 77.264(4)
_cell_angle_beta                  67.504(4)
_cell_angle_gamma                 82.244(4)
_cell_volume                      2100.9(14)
_cell_formula_units_Z             1
_cell_measurement_temperature     273(2)
_cell_measurement_reflns_used     9903
_cell_measurement_theta_min       4.493
_cell_measurement_theta_max       53.255
 
_exptl_crystal_description        block
_exptl_crystal_colour             colorless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.772          
_exptl_crystal_F_000              1086
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.25
_exptl_crystal_size_mid           0.16
_exptl_crystal_size_min           0.15
_exptl_absorpt_coefficient_mu     4.184
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       273(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             21684
_diffrn_reflns_av_unetI/netI      0.0410
_diffrn_reflns_av_R_equivalents   0.0321
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -16
_diffrn_reflns_limit_l_max        16
_diffrn_reflns_theta_min          2.060
_diffrn_reflns_theta_max          26.022
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.994
_diffrn_measured_fraction_theta_full  0.996
_diffrn_reflns_Laue_measured_fraction_max    0.994
_diffrn_reflns_Laue_measured_fraction_full   0.996
_diffrn_reflns_point_group_measured_fraction_max   0.994
_diffrn_reflns_point_group_measured_fraction_full  0.996
_reflns_number_total              8231
_reflns_number_gt                 7393
_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        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_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)+(0.0295P)²+7.8751P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    mixed
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          8231
_refine_ls_number_parameters      560
_refine_ls_number_restraints      7
_refine_ls_R_factor_all           0.0414
_refine_ls_R_factor_gt            0.0354
_refine_ls_wR_factor_ref          0.0822
_refine_ls_wR_factor_gt           0.0797
_refine_ls_goodness_of_fit_ref    1.098
_refine_ls_restrained_S_all       1.098
_refine_ls_shift/su_max           0.014
_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_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 0.36134(2) 0.72794(2) 0.16293(2) 0.01594(7) Uani 1 1 d . . . . .
H1 H 0.319(10) 0.504(9) 0.151(10) 0.03(3) Uiso 0.5 1 d . . P A 5
Sb1 Sb 0.49570(3) 0.61269(3) 0.03849(3) 0.01597(9) Uani 1 1 d . U . . .
P1 P 0.32592(12) 0.81208(10) 0.00992(11) 0.0178(3) Uani 1 1 d . . . . .
P2 P 0.43540(12) 0.64075(11) 0.28918(11) 0.0179(3) Uani 1 1 d . . . . .
F203 F 0.0825(9) 0.2619(9) 0.3012(11) 0.106(4) Uani 0.590(5) 1 d . . P B 3
F202 F 0.0318(10) 0.3304(9) 0.4363(8) 0.106(4) Uani 0.590(5) 1 d . . P B 3
F201 F -0.0770(8) 0.3150(8) 0.3591(7) 0.085(3) Uani 0.590(5) 1 d . . P B 3
S201 S 0.0621(2) 0.4570(3) 0.2492(2) 0.0415(9) Uani 0.590(5) 1 d . . P B 3
O203 O -0.0136(7) 0.5310(8) 0.3094(7) 0.058(3) Uani 0.590(5) 1 d . . P B 3
O202 O 0.0439(8) 0.4438(8) 0.1582(9) 0.068(3) Uani 0.590(5) 1 d . . P B 3
O201 O 0.1779(7) 0.4650(7) 0.2348(7) 0.049(2) Uani 0.590(5) 1 d . . P B 3
O1 O 0.4011(4) 0.5011(3) 0.0667(4) 0.0382(12) Uani 1 1 d . U . . .
N101 N 0.2591(4) 0.8259(4) 0.2649(4) 0.0314(12) Uani 1 1 d . . . . .
C1 C 0.5298(5) 0.7190(4) -0.1123(4) 0.0183(11) Uani 1 1 d . . . . .
C2 C 0.4525(5) 0.8037(4) -0.1114(4) 0.0187(11) Uani 1 1 d . . . . .
C3 C 0.4754(5) 0.8807(4) -0.2049(5) 0.0255(13) Uani 1 1 d . . . . .
H3 H 0.4247 0.9367 -0.2062 0.031 Uiso 1 1 calc R U . . .
C4 C 0.5725(5) 0.8741(5) -0.2950(5) 0.0305(14) Uani 1 1 d . . . . .
H4 H 0.5880 0.9261 -0.3562 0.037 Uiso 1 1 calc R U . . .
C5 C 0.6466(5) 0.7899(5) -0.2941(5) 0.0284(13) Uani 1 1 d . . . . .
H5 H 0.7117 0.7857 -0.3552 0.034 Uiso 1 1 calc R U . . .
C6 C 0.6260(5) 0.7124(4) -0.2048(4) 0.0231(12) Uani 1 1 d . . . . .
H6 H 0.6762 0.6556 -0.2060 0.028 Uiso 1 1 calc R U . . .
C7 C 0.2918(5) 0.9485(4) 0.0085(5) 0.0230(12) Uani 1 1 d . . . . .
C8 C 0.2100(6) 1.0013(5) -0.0260(7) 0.0468(19) Uani 1 1 d . . . . .
H8 H 0.1679 0.9673 -0.0494 0.056 Uiso 1 1 calc R U . . .
C9 C 0.1893(8) 1.1057(5) -0.0263(8) 0.061(2) Uani 1 1 d . . . . .
H9 H 0.1360 1.1418 -0.0533 0.073 Uiso 1 1 calc R U . . .
C10 C 0.2472(6) 1.1557(5) 0.0128(6) 0.0411(17) Uani 1 1 d . . . . .
H10 H 0.2309 1.2248 0.0156 0.049 Uiso 1 1 calc R U . . .
C11 C 0.3282(6) 1.1037(5) 0.0472(8) 0.055(2) Uani 1 1 d . . . . .
H11 H 0.3698 1.1382 0.0706 0.066 Uiso 1 1 calc R U . . .
C12 C 0.3502(6) 0.9991(5) 0.0482(6) 0.0413(17) Uani 1 1 d . . . . .
H12 H 0.4036 0.9635 0.0753 0.050 Uiso 1 1 calc R U . . .
C13 C 0.2138(5) 0.7635(4) -0.0119(5) 0.0213(12) Uani 1 1 d . . . . .
C14 C 0.1303(6) 0.7125(6) 0.0768(5) 0.0425(17) Uani 1 1 d . . . . .
H14 H 0.1351 0.6996 0.1457 0.051 Uiso 1 1 calc R U . . .
C15 C 0.0385(6) 0.6802(7) 0.0637(6) 0.053(2) Uani 1 1 d . . . . .
H15 H -0.0175 0.6462 0.1237 0.063 Uiso 1 1 calc R U . . .
C16 C 0.0316(6) 0.6985(5) -0.0361(6) 0.0396(17) Uani 1 1 d . . . . .
H16 H -0.0295 0.6770 -0.0446 0.047 Uiso 1 1 calc R U . . .
C17 C 0.1134(7) 0.7482(6) -0.1247(7) 0.050(2) Uani 1 1 d . . . . .
H17 H 0.1083 0.7595 -0.1934 0.060 Uiso 1 1 calc R U . . .
C18 C 0.2041(6) 0.7820(5) -0.1131(6) 0.0423(17) Uani 1 1 d . . . . .
H18 H 0.2586 0.8173 -0.1737 0.051 Uiso 1 1 calc R U . . .
C19 C 0.6174(5) 0.5780(4) 0.1146(5) 0.0201(11) Uani 1 1 d . . . . .
C20 C 0.5791(5) 0.5951(4) 0.2218(5) 0.0228(12) Uani 1 1 d . . . . .
C21 C 0.6542(5) 0.5739(5) 0.2790(5) 0.0301(14) Uani 1 1 d . . . . .
H21 H 0.6303 0.5845 0.3505 0.036 Uiso 1 1 calc R U . . .
C22 C 0.7622(5) 0.5377(5) 0.2282(5) 0.0335(15) Uani 1 1 d . . . . .
H22 H 0.8113 0.5241 0.2658 0.040 Uiso 1 1 calc R U . . .
C23 C 0.7991(5) 0.5212(5) 0.1215(5) 0.0281(13) Uani 1 1 d . . . . .
H23 H 0.8725 0.4967 0.0882 0.034 Uiso 1 1 calc R U . . .
C24 C 0.7266(5) 0.5411(4) 0.0641(5) 0.0235(12) Uani 1 1 d . . . . .
H24 H 0.7512 0.5298 -0.0073 0.028 Uiso 1 1 calc R U . . .
C25 C 0.4416(5) 0.7215(4) 0.3783(4) 0.0208(12) Uani 1 1 d . . . . .
C26 C 0.5175(5) 0.7979(4) 0.3351(5) 0.0275(13) Uani 1 1 d . . . . .
H26 H 0.5685 0.8030 0.2634 0.033 Uiso 1 1 calc R U . . .
C27 C 0.5177(6) 0.8668(5) 0.3983(6) 0.0343(15) Uani 1 1 d . . . . .
H27 H 0.5696 0.9171 0.3698 0.041 Uiso 1 1 calc R U . . .
C28 C 0.4404(6) 0.8599(5) 0.5035(6) 0.0428(18) Uani 1 1 d . . . . .
H28 H 0.4397 0.9065 0.5457 0.051 Uiso 1 1 calc R U . . .
C29 C 0.3650(6) 0.7856(6) 0.5466(6) 0.0424(17) Uani 1 1 d . . . . .
H29 H 0.3133 0.7822 0.6178 0.051 Uiso 1 1 calc R U . . .
C30 C 0.3643(5) 0.7148(5) 0.4857(5) 0.0321(14) Uani 1 1 d . . . . .
H30 H 0.3132 0.6638 0.5158 0.038 Uiso 1 1 calc R U . . .
C31 C 0.3576(5) 0.5312(4) 0.3751(4) 0.0239(12) Uani 1 1 d . . . . .
C32 C 0.4085(6) 0.4388(5) 0.4070(5) 0.0365(16) Uani 1 1 d . . . . .
H32 H 0.4863 0.4307 0.3842 0.044 Uiso 1 1 calc R U . . .
C33 C 0.3425(8) 0.3583(5) 0.4734(6) 0.046(2) Uani 1 1 d . . . . .
H33 H 0.3766 0.2964 0.4952 0.055 Uiso 1 1 calc R U . . .
C34 C 0.2290(8) 0.3691(6) 0.5068(6) 0.055(2) Uani 1 1 d . . . . .
H34 H 0.1854 0.3148 0.5511 0.066 Uiso 1 1 calc R U . . .
C35 C 0.1798(8) 0.4594(7) 0.4751(9) 0.078(3) Uani 1 1 d . . . . .
H35 H 0.1019 0.4672 0.4989 0.094 Uiso 1 1 calc R U . . .
C36 C 0.2433(6) 0.5406(6) 0.4078(7) 0.056(2) Uani 1 1 d . . . . .
H36 H 0.2081 0.6015 0.3850 0.068 Uiso 1 1 calc R U . . .
C101 C 0.2107(6) 0.8873(6) 0.3165(7) 0.051(2) Uani 1 1 d . . . . .
C201 C 0.0214(8) 0.3352(9) 0.3280(11) 0.040(3) Uani 0.590(5) 1 d . . P B 3
C102 C 0.134(3) 0.939(3) 0.407(3) 0.058(9) Uani 0.51(5) 1 d . . P C 1
H10A H 0.0737 0.9750 0.3869 0.086 Uiso 0.51(5) 1 calc R U P C 1
H10B H 0.1749 0.9857 0.4201 0.086 Uiso 0.51(5) 1 calc R U P C 1
H10C H 0.1046 0.8883 0.4718 0.086 Uiso 0.51(5) 1 calc R U P C 1
C103 C 0.1650(17) 0.987(2) 0.353(3) 0.041(7) Uani 0.49(5) 1 d . . P C 2
H10D H 0.2114 1.0410 0.3039 0.062 Uiso 0.49(5) 1 calc R U P C 2
H10E H 0.1647 0.9834 0.4256 0.062 Uiso 0.49(5) 1 calc R U P C 2
H10F H 0.0898 1.0015 0.3543 0.062 Uiso 0.49(5) 1 calc R U P C 2
F204 F -0.0362(5) 0.9366(4) 0.1696(4) 0.0714(17) Uani 0.914(5) 1 d . . P D 4
S202 S -0.17935(16) 0.97238(14) 0.35778(14) 0.0352(5) Uani 0.914(5) 1 d . . P D 4
F206 F -0.1504(4) 0.8172(4) 0.2632(4) 0.0567(14) Uani 0.914(5) 1 d . . P D 4
O205 O -0.2576(4) 1.0165(4) 0.3066(4) 0.0408(13) Uani 0.914(5) 1 d . . P D 4
O204 O -0.1026(5) 1.0439(4) 0.3532(5) 0.0537(16) Uani 0.914(5) 1 d . . P D 4
F205 F -0.0153(4) 0.8349(4) 0.3116(5) 0.0692(16) Uani 0.914(5) 1 d . . P D 4
C202 C -0.0927(7) 0.8858(6) 0.2722(7) 0.0445(19) Uani 0.914(5) 1 d . . P D 4
O206 O -0.2277(5) 0.9078(4) 0.4615(4) 0.0574(17) Uani 0.914(5) 1 d . . P D 4
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Pt1 N101 2.073(5) . ?
Pt1 P2 2.2889(15) . ?
Pt1 P1 2.2987(15) . ?
Pt1 Sb1 2.5312(7) . ?
Sb1 O1 1.942(4) . ?
Sb1 C1 2.135(5) . ?
Sb1 C19 2.135(5) . ?
Sb1 O1 2.253(5) 2_665 ?
P1 C13 1.809(6) . ?
P1 C7 1.823(6) . ?
P1 C2 1.828(5) . ?
P2 C31 1.809(6) . ?
P2 C25 1.814(5) . ?
P2 C20 1.815(6) . ?
F203 C201 1.205(14) . ?
F202 C201 1.500(16) . ?
F201 C201 1.224(13) . ?
S201 O202 1.384(10) . ?
S201 O203 1.445(9) . ?
S201 O201 1.448(9) . ?
S201 C201 1.766(13) . ?
O1 Sb1 2.253(5) 2_665 ?
O1 H1 1.22(12) . ?
N101 C101 1.156(8) . ?
C1 C6 1.393(8) . ?
C1 C2 1.407(7) . ?
C2 C3 1.402(7) . ?
C3 C4 1.381(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.380(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.371(8) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.365(9) . ?
C7 C12 1.387(8) . ?
C8 C9 1.391(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.370(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.352(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.393(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.381(8) . ?
C13 C14 1.383(9) . ?
C14 C15 1.398(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.346(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.364(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.384(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.387(8) . ?
C19 C20 1.396(8) . ?
C20 C21 1.419(8) . ?
C21 C22 1.372(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.389(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.392(8) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.387(8) . ?
C25 C30 1.399(8) . ?
C26 C27 1.390(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.377(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.363(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.388(9) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.366(9) . ?
C31 C32 1.384(8) . ?
C32 C33 1.391(10) . ?
C32 H32 0.9300 . ?
C33 C34 1.355(11) . ?
C33 H33 0.9300 . ?
C34 C35 1.353(12) . ?
C34 H34 0.9300 . ?
C35 C36 1.385(10) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C101 C102 1.48(2) . ?
C101 C103 1.50(2) . ?
C102 H10A 0.9600 . ?
C102 H10B 0.9600 . ?
C102 H10C 0.9600 . ?
C103 H10D 0.9600 . ?
C103 H10E 0.9600 . ?
C103 H10F 0.9600 . ?
F204 C202 1.361(9) . ?
S202 O206 1.428(5) . ?
S202 O205 1.427(5) . ?
S202 O204 1.447(6) . ?
S202 C202 1.785(8) . ?
F206 C202 1.313(9) . ?
F205 C202 1.345(9) . ?
 
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
N101 Pt1 P2 93.75(14) . . ?
N101 Pt1 P1 95.71(14) . . ?
P2 Pt1 P1 167.64(5) . . ?
N101 Pt1 Sb1 176.75(15) . . ?
P2 Pt1 Sb1 84.86(4) . . ?
P1 Pt1 Sb1 85.28(4) . . ?
O1 Sb1 C1 118.36(19) . . ?
O1 Sb1 C19 114.23(19) . . ?
C1 Sb1 C19 120.2(2) . . ?
O1 Sb1 O1 72.7(2) . 2_665 ?
C1 Sb1 O1 85.13(18) . 2_665 ?
C19 Sb1 O1 85.00(18) . 2_665 ?
O1 Sb1 Pt1 100.88(15) . . ?
C1 Sb1 Pt1 97.78(14) . . ?
C19 Sb1 Pt1 98.40(14) . . ?
O1 Sb1 Pt1 173.54(12) 2_665 . ?
C13 P1 C7 106.3(3) . . ?
C13 P1 C2 107.1(2) . . ?
C7 P1 C2 105.3(3) . . ?
C13 P1 Pt1 115.11(19) . . ?
C7 P1 Pt1 113.11(18) . . ?
C2 P1 Pt1 109.24(18) . . ?
C31 P2 C25 107.6(3) . . ?
C31 P2 C20 107.5(3) . . ?
C25 P2 C20 105.7(3) . . ?
C31 P2 Pt1 112.97(19) . . ?
C25 P2 Pt1 112.07(18) . . ?
C20 P2 Pt1 110.56(19) . . ?
O202 S201 O203 115.5(6) . . ?
O202 S201 O201 116.0(6) . . ?
O203 S201 O201 112.9(6) . . ?
O202 S201 C201 96.4(7) . . ?
O203 S201 C201 106.6(6) . . ?
O201 S201 C201 107.4(5) . . ?
Sb1 O1 Sb1 107.3(2) . 2_665 ?
Sb1 O1 H1 110(6) . . ?
Sb1 O1 H1 139(6) 2_665 . ?
C101 N101 Pt1 173.0(6) . . ?
C6 C1 C2 120.2(5) . . ?
C6 C1 Sb1 123.8(4) . . ?
C2 C1 Sb1 115.8(4) . . ?
C3 C2 C1 118.5(5) . . ?
C3 C2 P1 121.3(4) . . ?
C1 C2 P1 120.2(4) . . ?
C4 C3 C2 120.5(5) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 119.8(6) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 121.2(6) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C1 119.7(5) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
C8 C7 C12 119.2(5) . . ?
C8 C7 P1 123.3(5) . . ?
C12 C7 P1 117.5(4) . . ?
C7 C8 C9 120.3(6) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 120.3(7) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 119.5(6) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C10 C11 C12 121.0(6) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 119.6(6) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C18 C13 C14 118.5(6) . . ?
C18 C13 P1 122.2(5) . . ?
C14 C13 P1 119.1(4) . . ?
C13 C14 C15 120.5(6) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.8(7) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.6(6) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C18 120.5(7) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 120.2(7) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C24 C19 C20 121.1(5) . . ?
C24 C19 Sb1 124.1(4) . . ?
C20 C19 Sb1 114.8(4) . . ?
C19 C20 C21 118.8(5) . . ?
C19 C20 P2 121.2(4) . . ?
C21 C20 P2 120.0(4) . . ?
C22 C21 C20 119.8(5) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.8(5) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C24 120.4(5) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 119.2(5) . . ?
C19 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
C26 C25 C30 119.6(5) . . ?
C26 C25 P2 118.8(4) . . ?
C30 C25 P2 121.3(5) . . ?
C25 C26 C27 120.3(6) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C28 C27 C26 119.5(6) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C29 C28 C27 120.8(6) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 120.9(6) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C29 C30 C25 119.0(6) . . ?
C29 C30 H30 120.5 . . ?
C25 C30 H30 120.5 . . ?
C36 C31 C32 119.1(6) . . ?
C36 C31 P2 117.7(5) . . ?
C32 C31 P2 123.2(5) . . ?
C31 C32 C33 119.6(7) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C34 C33 C32 120.8(7) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C35 C34 C33 119.3(7) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 121.2(8) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C31 C36 C35 119.9(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
N101 C101 C102 163(2) . . ?
N101 C101 C103 163.5(18) . . ?
F203 C201 F201 110.4(11) . . ?
F203 C201 F202 98.7(12) . . ?
F201 C201 F202 100.0(11) . . ?
F203 C201 S201 118.1(10) . . ?
F201 C201 S201 118.8(10) . . ?
F202 C201 S201 107.1(8) . . ?
C101 C102 H10A 109.5 . . ?
C101 C102 H10B 109.5 . . ?
H10A C102 H10B 109.5 . . ?
C101 C102 H10C 109.5 . . ?
H10A C102 H10C 109.5 . . ?
H10B C102 H10C 109.5 . . ?
C101 C103 H10D 109.5 . . ?
C101 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C101 C103 H10F 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 109.5 . . ?
O206 S202 O205 114.3(4) . . ?
O206 S202 O204 115.3(4) . . ?
O205 S202 O204 113.8(3) . . ?
O206 S202 C202 103.6(4) . . ?
O205 S202 C202 103.6(3) . . ?
O204 S202 C202 104.3(4) . . ?
F206 C202 F205 107.2(7) . . ?
F206 C202 F204 107.7(7) . . ?
F205 C202 F204 107.1(7) . . ?
F206 C202 S202 112.5(6) . . ?
F205 C202 S202 111.1(6) . . ?
F204 C202 S202 111.0(6) . . ?
 
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
C6 C1 C2 C3 -0.5(8) . . . . ?
Sb1 C1 C2 C3 174.5(4) . . . . ?
C6 C1 C2 P1 179.7(4) . . . . ?
Sb1 C1 C2 P1 -5.2(6) . . . . ?
C13 P1 C2 C3 84.3(5) . . . . ?
C7 P1 C2 C3 -28.6(5) . . . . ?
Pt1 P1 C2 C3 -150.4(4) . . . . ?
C13 P1 C2 C1 -95.9(4) . . . . ?
C7 P1 C2 C1 151.2(4) . . . . ?
Pt1 P1 C2 C1 29.4(5) . . . . ?
C1 C2 C3 C4 -1.0(8) . . . . ?
P1 C2 C3 C4 178.8(4) . . . . ?
C2 C3 C4 C5 1.4(9) . . . . ?
C3 C4 C5 C6 -0.3(9) . . . . ?
C4 C5 C6 C1 -1.2(9) . . . . ?
C2 C1 C6 C5 1.6(8) . . . . ?
Sb1 C1 C6 C5 -173.0(4) . . . . ?
C13 P1 C7 C8 -12.3(7) . . . . ?
C2 P1 C7 C8 101.2(6) . . . . ?
Pt1 P1 C7 C8 -139.6(6) . . . . ?
C13 P1 C7 C12 165.5(5) . . . . ?
C2 P1 C7 C12 -81.1(6) . . . . ?
Pt1 P1 C7 C12 38.2(6) . . . . ?
C12 C7 C8 C9 3.2(12) . . . . ?
P1 C7 C8 C9 -179.1(7) . . . . ?
C7 C8 C9 C10 -3.1(14) . . . . ?
C8 C9 C10 C11 3.0(14) . . . . ?
C9 C10 C11 C12 -3.0(13) . . . . ?
C8 C7 C12 C11 -3.1(11) . . . . ?
P1 C7 C12 C11 179.0(6) . . . . ?
C10 C11 C12 C7 3.1(13) . . . . ?
C7 P1 C13 C18 74.4(6) . . . . ?
C2 P1 C13 C18 -37.8(6) . . . . ?
Pt1 P1 C13 C18 -159.5(5) . . . . ?
C7 P1 C13 C14 -100.6(5) . . . . ?
C2 P1 C13 C14 147.1(5) . . . . ?
Pt1 P1 C13 C14 25.5(6) . . . . ?
C18 C13 C14 C15 0.3(10) . . . . ?
P1 C13 C14 C15 175.6(6) . . . . ?
C13 C14 C15 C16 0.3(12) . . . . ?
C14 C15 C16 C17 0.0(12) . . . . ?
C15 C16 C17 C18 -0.9(12) . . . . ?
C14 C13 C18 C17 -1.2(10) . . . . ?
P1 C13 C18 C17 -176.3(6) . . . . ?
C16 C17 C18 C13 1.6(12) . . . . ?
C24 C19 C20 C21 -0.1(8) . . . . ?
Sb1 C19 C20 C21 179.9(4) . . . . ?
C24 C19 C20 P2 -178.7(4) . . . . ?
Sb1 C19 C20 P2 1.3(6) . . . . ?
C31 P2 C20 C19 98.8(5) . . . . ?
C25 P2 C20 C19 -146.4(5) . . . . ?
Pt1 P2 C20 C19 -24.9(5) . . . . ?
C31 P2 C20 C21 -79.7(5) . . . . ?
C25 P2 C20 C21 35.0(6) . . . . ?
Pt1 P2 C20 C21 156.5(4) . . . . ?
C19 C20 C21 C22 0.3(9) . . . . ?
P2 C20 C21 C22 178.9(5) . . . . ?
C20 C21 C22 C23 -0.2(10) . . . . ?
C21 C22 C23 C24 -0.1(10) . . . . ?
C20 C19 C24 C23 -0.2(8) . . . . ?
Sb1 C19 C24 C23 179.9(4) . . . . ?
C22 C23 C24 C19 0.2(9) . . . . ?
C31 P2 C25 C26 165.4(4) . . . . ?
C20 P2 C25 C26 50.7(5) . . . . ?
Pt1 P2 C25 C26 -69.8(5) . . . . ?
C31 P2 C25 C30 -21.1(5) . . . . ?
C20 P2 C25 C30 -135.8(5) . . . . ?
Pt1 P2 C25 C30 103.7(5) . . . . ?
C30 C25 C26 C27 0.7(8) . . . . ?
P2 C25 C26 C27 174.3(4) . . . . ?
C25 C26 C27 C28 -1.3(9) . . . . ?
C26 C27 C28 C29 0.9(10) . . . . ?
C27 C28 C29 C30 0.2(11) . . . . ?
C28 C29 C30 C25 -0.8(10) . . . . ?
C26 C25 C30 C29 0.3(9) . . . . ?
P2 C25 C30 C29 -173.1(5) . . . . ?
C25 P2 C31 C36 85.7(6) . . . . ?
C20 P2 C31 C36 -160.8(6) . . . . ?
Pt1 P2 C31 C36 -38.5(6) . . . . ?
C25 P2 C31 C32 -95.4(5) . . . . ?
C20 P2 C31 C32 18.1(6) . . . . ?
Pt1 P2 C31 C32 140.4(5) . . . . ?
C36 C31 C32 C33 -1.3(10) . . . . ?
P2 C31 C32 C33 179.8(5) . . . . ?
C31 C32 C33 C34 0.3(10) . . . . ?
C32 C33 C34 C35 -0.2(12) . . . . ?
C33 C34 C35 C36 1.0(15) . . . . ?
C32 C31 C36 C35 2.1(12) . . . . ?
P2 C31 C36 C35 -179.0(8) . . . . ?
C34 C35 C36 C31 -2.0(16) . . . . ?
O202 S201 C201 F203 71.1(12) . . . . ?
O203 S201 C201 F203 -169.9(11) . . . . ?
O201 S201 C201 F203 -48.7(13) . . . . ?
O202 S201 C201 F201 -66.9(11) . . . . ?
O203 S201 C201 F201 52.2(12) . . . . ?
O201 S201 C201 F201 173.3(10) . . . . ?
O202 S201 C201 F202 -178.9(8) . . . . ?
O203 S201 C201 F202 -59.9(9) . . . . ?
O201 S201 C201 F202 61.3(9) . . . . ?
O206 S202 C202 F206 61.6(7) . . . . ?
O205 S202 C202 F206 -58.0(6) . . . . ?
O204 S202 C202 F206 -177.3(6) . . . . ?
O206 S202 C202 F205 -58.6(7) . . . . ?
O205 S202 C202 F205 -178.1(6) . . . . ?
O204 S202 C202 F205 62.5(7) . . . . ?
O206 S202 C202 F204 -177.7(6) . . . . ?
O205 S202 C202 F204 62.8(6) . . . . ?
O204 S202 C202 F204 -56.6(7) . . . . ?
 
_refine_diff_density_max    1.709
_refine_diff_density_min   -0.815
_refine_diff_density_rms    0.136




****


 
data_5
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C60 H41 B F18 N O P2 Pt Sb' 
_chemical_formula_weight          1523.53

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'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'B'  'B'   0.0013   0.0007
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sb'  'Sb'  -0.5866   1.5461
 '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'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_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                    9.070(3)
_cell_length_b                    18.827(7)
_cell_length_c                    19.304(7)
_cell_angle_alpha                 70.644(4)
_cell_angle_beta                  78.561(4)
_cell_angle_gamma                 78.510(5)
_cell_volume                      3016.6(19)
_cell_formula_units_Z             2
_cell_measurement_temperature     273(2)
_cell_measurement_reflns_used     5554
_cell_measurement_theta_min       4.408
_cell_measurement_theta_max       47.908
 
_exptl_crystal_description        block
_exptl_crystal_colour             colorless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.677          
_exptl_crystal_F_000              1484
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.14
_exptl_crystal_size_mid           0.13
_exptl_crystal_size_min           0.09
_exptl_absorpt_coefficient_mu     2.913
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       273(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             31723
_diffrn_reflns_av_unetI/netI      0.1203
_diffrn_reflns_av_R_equivalents   0.0852
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -23
_diffrn_reflns_limit_k_max        23
_diffrn_reflns_limit_l_min        -24
_diffrn_reflns_limit_l_max        24
_diffrn_reflns_theta_min          1.848
_diffrn_reflns_theta_max          26.370
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.991
_diffrn_measured_fraction_theta_full  0.993
_diffrn_reflns_Laue_measured_fraction_max    0.991
_diffrn_reflns_Laue_measured_fraction_full   0.993
_diffrn_reflns_point_group_measured_fraction_max   0.991
_diffrn_reflns_point_group_measured_fraction_full  0.993
_reflns_number_total              12232
_reflns_number_gt                 8196
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_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)+(0.1162P)²] 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          12232
_refine_ls_number_parameters      763
_refine_ls_number_restraints      12
_refine_ls_R_factor_all           0.1106
_refine_ls_R_factor_gt            0.0662
_refine_ls_wR_factor_ref          0.2009
_refine_ls_wR_factor_gt           0.1743
_refine_ls_goodness_of_fit_ref    1.015
_refine_ls_restrained_S_all       1.015
_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
Pt Pt 1.04708(4) 0.18696(2) 0.32956(2) 0.01839(14) Uani 1 1 d . . . . .
B1 B 1.1761(14) 0.6159(7) 0.2252(7) 0.025(3) Uani 1 1 d . . . . .
N1 N 1.1627(11) 0.2773(5) 0.2521(5) 0.027(2) Uani 1 1 d . U . . .
P1 P 0.9729(3) 0.25292(15) 0.41513(15) 0.0191(6) Uani 1 1 d . . . . .
C1 C 0.9449(11) 0.0015(6) 0.3673(6) 0.021(2) Uani 1 1 d . . . . .
O1 O 0.6662(12) 0.3731(6) 0.1638(6) 0.068(3) Uani 1 1 d . . . . .
Sb Sb 0.91392(7) 0.08338(4) 0.42341(4) 0.01728(17) Uani 1 1 d . . . . .
C39 C 1.3682(13) 0.7823(8) 0.0729(8) 0.047(4) Uani 1 1 d . . . . .
F1 F 0.7020(6) 0.1037(4) 0.4027(3) 0.0308(15) Uani 1 1 d . . . . .
C56 C 0.709(2) 0.4954(12) 0.0798(12) 0.108(8) Uani 1 1 d . . . . .
H56A H 0.7872 0.5269 0.0549 0.163 Uiso 1 1 calc R U . . .
H56B H 0.6401 0.5182 0.1137 0.163 Uiso 1 1 calc R U . . .
H56C H 0.6554 0.4907 0.0439 0.163 Uiso 1 1 calc R U . . .
C2 C 0.8852(11) -0.0686(6) 0.3964(6) 0.021(2) Uani 1 1 d . . . . .
H2 H 0.8289 -0.0812 0.4435 0.026 Uiso 1 1 calc R U . . .
P2 P 1.1100(3) 0.10820(15) 0.25573(14) 0.0180(6) Uani 1 1 d . . . . .
C60 C 1.2736(16) 0.3991(7) 0.1658(7) 0.048(3) Uani 1 1 d . . . . .
H60A H 1.3395 0.4142 0.1900 0.072 Uiso 1 1 calc R U . . .
H60B H 1.1894 0.4388 0.1541 0.072 Uiso 1 1 calc R U . . .
H60C H 1.3291 0.3902 0.1209 0.072 Uiso 1 1 calc R U . . .
C3 C 0.9110(11) -0.1182(6) 0.3545(6) 0.023(2) Uani 1 1 d . . . . .
H3 H 0.8715 -0.1639 0.3737 0.028 Uiso 1 1 calc R U . . .
F4 F 1.3400(9) 0.5626(5) 0.0929(4) 0.057(2) Uani 1 1 d . . . . .
C4 C 0.9956(12) -0.1003(6) 0.2839(6) 0.026(2) Uani 1 1 d . . . . .
H4 H 1.0116 -0.1339 0.2561 0.031 Uiso 1 1 calc R U . . .
F5 F 1.4947(11) 0.6457(6) -0.0276(5) 0.085(3) Uani 1 1 d . . . . .
C5 C 1.0563(13) -0.0323(6) 0.2550(6) 0.029(3) Uani 1 1 d . . . . .
H5 H 1.1149 -0.0215 0.2084 0.035 Uiso 1 1 calc R U . . .
F6 F 1.5177(9) 0.7919(6) -0.0447(4) 0.080(3) Uani 1 1 d . . . . .
C6 C 1.0305(11) 0.0196(6) 0.2947(5) 0.021(2) Uani 1 1 d . . . . .
C59 C 1.2156(17) 0.3274(8) 0.2164(7) 0.048(3) Uani 1 1 d . U . . .
C58 C 0.6054(19) 0.2541(9) 0.2444(9) 0.069(5) Uani 1 1 d . . . . .
H58A H 0.6478 0.2052 0.2742 0.103 Uiso 1 1 calc R U . . .
H58B H 0.5563 0.2476 0.2076 0.103 Uiso 1 1 calc R U . . .
H58C H 0.5324 0.2789 0.2755 0.103 Uiso 1 1 calc R U . . .
C57 C 0.7316(19) 0.3023(9) 0.2064(8) 0.066(5) Uani 1 1 d . . . . .
H57A H 0.7824 0.3088 0.2432 0.079 Uiso 1 1 calc R U . . .
H57B H 0.8060 0.2777 0.1749 0.079 Uiso 1 1 calc R U . . .
C34 C 1.3767(13) 0.2822(7) 0.5087(6) 0.033(3) Uani 1 1 d . . . . .
H34 H 1.4566 0.2862 0.5303 0.040 Uiso 1 1 calc R U . . .
C35 C 1.2468(12) 0.3336(7) 0.5081(6) 0.031(3) Uani 1 1 d . . . . .
H35 H 1.2405 0.3731 0.5279 0.037 Uiso 1 1 calc R U . . .
C36 C 1.1241(12) 0.3279(6) 0.4783(6) 0.026(2) Uani 1 1 d . . . . .
H36 H 1.0355 0.3625 0.4790 0.032 Uiso 1 1 calc R U . . .
C10 C 0.7034(11) 0.2057(6) 0.6184(6) 0.022(2) Uani 1 1 d . . . . .
H10 H 0.6667 0.2296 0.6548 0.026 Uiso 1 1 calc R U . . .
C48 C 0.9278(12) 0.7106(6) 0.2681(6) 0.026(2) Uani 1 1 d . . . . .
C47 C 0.7854(12) 0.7529(6) 0.2598(7) 0.030(3) Uani 1 1 d . . . . .
C46 C 0.7094(12) 0.7509(7) 0.2059(6) 0.030(3) Uani 1 1 d . . . . .
C19 C 1.3132(11) 0.0775(6) 0.2392(6) 0.022(2) Uani 1 1 d . . . . .
C50 C 1.1753(12) 0.5687(6) 0.3705(6) 0.027(2) Uani 1 1 d . . . . .
C45 C 0.7751(14) 0.7071(7) 0.1615(6) 0.031(3) Uani 1 1 d . . . . .
C51 C 1.2282(14) 0.5550(6) 0.4366(6) 0.030(3) Uani 1 1 d . . . . .
C44 C 0.9165(13) 0.6643(6) 0.1715(6) 0.027(2) Uani 1 1 d . . . . .
C52 C 1.3662(13) 0.5766(6) 0.4360(6) 0.030(3) Uani 1 1 d . . . . .
C43 C 1.0023(13) 0.6638(6) 0.2251(6) 0.024(2) Uani 1 1 d . . . . .
C53 C 1.4466(12) 0.6079(6) 0.3686(6) 0.027(3) Uani 1 1 d . . . . .
C42 C 1.3474(15) 0.6347(8) 0.0903(7) 0.042(3) Uani 1 1 d . . . . .
C41 C 1.4268(15) 0.6766(9) 0.0268(7) 0.050(4) Uani 1 1 d . . . . .
C18 C 1.1216(11) 0.2078(6) 0.1132(6) 0.025(2) Uani 1 1 d . . . . .
H18 H 1.2086 0.2194 0.1231 0.030 Uiso 1 1 calc R U . . .
C11 C 0.7945(12) 0.2411(6) 0.5543(6) 0.025(2) Uani 1 1 d . . . . .
H11 H 0.8159 0.2895 0.5474 0.030 Uiso 1 1 calc R U . . .
C9 C 0.6668(11) 0.1339(6) 0.6281(6) 0.022(2) Uani 1 1 d . . . . .
H9 H 0.6031 0.1110 0.6704 0.026 Uiso 1 1 calc R U . . .
C7 C 0.8214(10) 0.1319(6) 0.5112(6) 0.020(2) Uani 1 1 d . . . . .
F7 F 1.3782(9) 0.8562(5) 0.0651(5) 0.071(3) Uani 1 1 d . . . . .
F8 F 1.2253(7) 0.7712(4) 0.1898(4) 0.0377(17) Uani 1 1 d . . . . .
C8 C 0.7246(12) 0.0965(6) 0.5752(6) 0.024(2) Uani 1 1 d . . . . .
H8 H 0.7000 0.0488 0.5818 0.029 Uiso 1 1 calc R U . . .
C49 C 1.2516(11) 0.6043(6) 0.3006(6) 0.024(2) Uani 1 1 d . . . . .
F9 F 0.9778(7) 0.6229(4) 0.1240(3) 0.0365(16) Uani 1 1 d . . . . .
F2 F 1.1134(6) 0.0331(3) 0.4694(3) 0.0188(12) Uani 1 1 d . . . . .
F10 F 0.7008(7) 0.7032(4) 0.1085(4) 0.0409(18) Uani 1 1 d . . . . .
F3 F 1.1696(7) 0.5406(4) 0.2249(3) 0.0316(15) Uani 1 1 d . . . . .
F11 F 0.5715(7) 0.7932(4) 0.1971(4) 0.0447(18) Uani 1 1 d . . . . .
C12 C 0.8553(11) 0.2047(5) 0.4993(6) 0.019(2) Uani 1 1 d . . . . .
F12 F 0.7185(7) 0.7955(4) 0.3047(4) 0.0413(18) Uani 1 1 d . . . . .
C13 C 1.0455(11) 0.1511(6) 0.1666(5) 0.020(2) Uani 1 1 d . . . . .
F13 F 0.9947(7) 0.7161(4) 0.3227(3) 0.0312(15) Uani 1 1 d . . . . .
C33 C 1.3903(12) 0.2245(7) 0.4776(7) 0.032(3) Uani 1 1 d . . . . .
H33 H 1.4796 0.1902 0.4771 0.038 Uiso 1 1 calc R U . . .
C14 C 0.9161(13) 0.1345(7) 0.1513(6) 0.032(3) Uani 1 1 d . . . . .
H14 H 0.8635 0.0976 0.1866 0.039 Uiso 1 1 calc R U . . .
F14 F 1.0376(7) 0.5488(4) 0.3754(3) 0.0353(16) Uani 1 1 d . . . . .
C15 C 0.8632(15) 0.1729(7) 0.0830(7) 0.041(3) Uani 1 1 d . . . . .
H15 H 0.7781 0.1603 0.0721 0.050 Uiso 1 1 calc R U . . .
F15 F 1.1481(8) 0.5230(4) 0.5024(3) 0.0406(17) Uani 1 1 d . . . . .
C16 C 0.9404(14) 0.2301(7) 0.0317(6) 0.039(3) Uani 1 1 d . . . . .
H16 H 0.9034 0.2573 -0.0128 0.047 Uiso 1 1 calc R U . . .
F16 F 1.4164(8) 0.5672(4) 0.4996(4) 0.0448(19) Uani 1 1 d . . . . .
C21 C 1.5523(13) 0.0382(7) 0.2870(7) 0.037(3) Uani 1 1 d . . . . .
H21 H 1.6101 0.0344 0.3232 0.045 Uiso 1 1 calc R U . . .
C17 C 1.0699(13) 0.2470(7) 0.0456(7) 0.037(3) Uani 1 1 d . . . . .
H17 H 1.1222 0.2841 0.0104 0.044 Uiso 1 1 calc R U . . .
F17 F 1.5853(7) 0.6288(4) 0.3656(4) 0.0404(17) Uani 1 1 d . . . . .
F18 F 1.4843(7) 0.6511(4) 0.2395(3) 0.0324(15) Uani 1 1 d . . . . .
C54 C 1.3932(12) 0.6213(6) 0.3030(6) 0.024(2) Uani 1 1 d . . . . .
C23 C 1.5335(13) 0.0191(7) 0.1728(7) 0.041(3) Uani 1 1 d . . . . .
H23 H 1.5787 0.0027 0.1320 0.050 Uiso 1 1 calc R U . . .
C22 C 1.6180(14) 0.0107(7) 0.2279(8) 0.042(3) Uani 1 1 d . . . . .
H22 H 1.7182 -0.0132 0.2254 0.050 Uiso 1 1 calc R U . . .
C20 C 1.4006(13) 0.0714(7) 0.2926(7) 0.033(3) Uani 1 1 d . . . . .
H20 H 1.3578 0.0896 0.3325 0.039 Uiso 1 1 calc R U . . .
C25 C 0.8609(12) 0.3431(6) 0.3757(5) 0.021(2) Uani 1 1 d . . . . .
C24 C 1.3810(13) 0.0518(7) 0.1776(7) 0.036(3) Uani 1 1 d . . . . .
H24 H 1.3245 0.0566 0.1406 0.044 Uiso 1 1 calc R U . . .
C26 C 0.7059(11) 0.3451(6) 0.3757(6) 0.027(3) Uani 1 1 d . . . . .
H26 H 0.6590 0.3025 0.4023 0.033 Uiso 1 1 calc R U . . .
C29 C 0.8410(15) 0.4726(6) 0.2957(7) 0.036(3) Uani 1 1 d . . . . .
H29 H 0.8862 0.5155 0.2683 0.044 Uiso 1 1 calc R U . . .
C37 C 1.2769(12) 0.6627(7) 0.1488(6) 0.030(3) Uani 1 1 d . . . . .
C28 C 0.6907(14) 0.4735(7) 0.2964(7) 0.038(3) Uani 1 1 d . . . . .
H28 H 0.6334 0.5171 0.2698 0.046 Uiso 1 1 calc R U . . .
C27 C 0.6231(13) 0.4104(7) 0.3364(7) 0.036(3) Uani 1 1 d . . . . .
H27 H 0.5198 0.4117 0.3369 0.043 Uiso 1 1 calc R U . . .
C38 C 1.2887(13) 0.7390(7) 0.1354(6) 0.035(3) Uani 1 1 d . . . . .
C32 C 1.2680(12) 0.2185(6) 0.4469(5) 0.024(2) Uani 1 1 d . . . . .
H32 H 1.2760 0.1797 0.4260 0.029 Uiso 1 1 calc R U . . .
C40 C 1.4373(14) 0.7511(9) 0.0178(6) 0.044(4) Uani 1 1 d . . . . .
C31 C 1.1352(11) 0.2694(6) 0.4472(5) 0.018(2) Uani 1 1 d . . . . .
C55 C 0.780(2) 0.4194(11) 0.1212(11) 0.086(6) Uani 1 1 d . . . . .
H55A H 0.8447 0.3950 0.0866 0.103 Uiso 1 1 calc R U . . .
H55B H 0.8427 0.4245 0.1540 0.103 Uiso 1 1 calc R U . . .
C30 C 0.9280(13) 0.4076(6) 0.3355(6) 0.025(2) Uani 1 1 d . . . . .
H30 H 1.0307 0.4075 0.3353 0.030 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
Pt N1 2.151(9) . ?
Pt P2 2.302(3) . ?
Pt P1 2.304(3) . ?
Pt Sb 2.5045(9) . ?
B1 F3 1.432(13) . ?
B1 C37 1.648(16) . ?
B1 C43 1.654(16) . ?
B1 C49 1.661(16) . ?
N1 C59 1.103(15) . ?
P1 C25 1.804(10) . ?
P1 C31 1.822(10) . ?
P1 C12 1.823(10) . ?
C1 C2 1.422(14) . ?
C1 C6 1.429(14) . ?
C1 Sb 2.108(10) . ?
O1 C57 1.398(17) . ?
O1 C55 1.43(2) . ?
Sb F1 1.977(6) . ?
Sb F2 2.087(5) . ?
Sb C7 2.137(10) . ?
Sb F2 2.482(5) 2_756 ?
C39 C40 1.37(2) . ?
C39 F7 1.369(16) . ?
C39 C38 1.370(17) . ?
C56 C55 1.47(2) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C2 C3 1.386(14) . ?
C2 H2 0.9300 . ?
P2 C13 1.802(10) . ?
P2 C19 1.816(10) . ?
P2 C6 1.817(11) . ?
C60 C59 1.503(18) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C3 C4 1.394(14) . ?
C3 H3 0.9300 . ?
F4 C42 1.356(15) . ?
C4 C5 1.392(15) . ?
C4 H4 0.9300 . ?
F5 C41 1.351(16) . ?
C5 C6 1.390(14) . ?
C5 H5 0.9300 . ?
F6 C40 1.356(14) . ?
C58 C57 1.52(2) . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C34 C35 1.367(15) . ?
C34 C33 1.382(16) . ?
C34 H34 0.9300 . ?
C35 C36 1.387(14) . ?
C35 H35 0.9300 . ?
C36 C31 1.397(14) . ?
C36 H36 0.9300 . ?
C10 C11 1.387(14) . ?
C10 C9 1.400(14) . ?
C10 H10 0.9300 . ?
C48 F13 1.357(12) . ?
C48 C47 1.384(15) . ?
C48 C43 1.396(15) . ?
C47 F12 1.349(12) . ?
C47 C46 1.370(15) . ?
C46 F11 1.350(12) . ?
C46 C45 1.359(16) . ?
C19 C20 1.383(15) . ?
C19 C24 1.415(15) . ?
C50 F14 1.351(12) . ?
C50 C51 1.379(15) . ?
C50 C49 1.402(15) . ?
C45 F10 1.359(12) . ?
C45 C44 1.384(16) . ?
C51 F15 1.344(12) . ?
C51 C52 1.387(16) . ?
C44 F9 1.363(12) . ?
C44 C43 1.409(15) . ?
C52 F16 1.339(12) . ?
C52 C53 1.363(16) . ?
C53 C54 1.372(14) . ?
C53 F17 1.376(12) . ?
C42 C41 1.371(18) . ?
C42 C37 1.390(17) . ?
C41 C40 1.38(2) . ?
C18 C17 1.390(15) . ?
C18 C13 1.400(15) . ?
C18 H18 0.9300 . ?
C11 C12 1.414(14) . ?
C11 H11 0.9300 . ?
C9 C8 1.390(14) . ?
C9 H9 0.9300 . ?
C7 C12 1.400(14) . ?
C7 C8 1.413(14) . ?
F8 C38 1.361(14) . ?
C8 H8 0.9300 . ?
C49 C54 1.396(14) . ?
F2 Sb 2.482(5) 2_756 ?
C13 C14 1.380(15) . ?
C33 C32 1.397(14) . ?
C33 H33 0.9300 . ?
C14 C15 1.405(15) . ?
C14 H14 0.9300 . ?
C15 C16 1.397(17) . ?
C15 H15 0.9300 . ?
C16 C17 1.373(17) . ?
C16 H16 0.9300 . ?
C21 C22 1.386(18) . ?
C21 C20 1.393(15) . ?
C21 H21 0.9300 . ?
C17 H17 0.9300 . ?
F18 C54 1.352(12) . ?
C23 C22 1.382(18) . ?
C23 C24 1.396(15) . ?
C23 H23 0.9300 . ?
C22 H22 0.9300 . ?
C20 H20 0.9300 . ?
C25 C30 1.390(15) . ?
C25 C26 1.398(14) . ?
C24 H24 0.9300 . ?
C26 C27 1.375(15) . ?
C26 H26 0.9300 . ?
C29 C28 1.357(17) . ?
C29 C30 1.394(15) . ?
C29 H29 0.9300 . ?
C37 C38 1.394(17) . ?
C28 C27 1.371(17) . ?
C28 H28 0.9300 . ?
C27 H27 0.9300 . ?
C32 C31 1.383(14) . ?
C32 H32 0.9300 . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C30 H30 0.9300 . ?
 
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
N1 Pt P2 95.1(2) . . ?
N1 Pt P1 92.0(2) . . ?
P2 Pt P1 172.77(9) . . ?
N1 Pt Sb 178.0(2) . . ?
P2 Pt Sb 86.69(7) . . ?
P1 Pt Sb 86.15(7) . . ?
F3 B1 C37 111.2(9) . . ?
F3 B1 C43 108.4(9) . . ?
C37 B1 C43 105.7(9) . . ?
F3 B1 C49 105.4(9) . . ?
C37 B1 C49 112.3(9) . . ?
C43 B1 C49 113.8(9) . . ?
C59 N1 Pt 173.7(9) . . ?
C25 P1 C31 109.2(5) . . ?
C25 P1 C12 105.8(5) . . ?
C31 P1 C12 104.9(5) . . ?
C25 P1 Pt 110.3(3) . . ?
C31 P1 Pt 111.9(3) . . ?
C12 P1 Pt 114.5(3) . . ?
C2 C1 C6 119.0(9) . . ?
C2 C1 Sb 124.6(8) . . ?
C6 C1 Sb 116.4(7) . . ?
C57 O1 C55 111.2(13) . . ?
F1 Sb F2 162.6(2) . . ?
F1 Sb C1 84.9(3) . . ?
F2 Sb C1 90.7(3) . . ?
F1 Sb C7 84.7(3) . . ?
F2 Sb C7 92.5(3) . . ?
C1 Sb C7 155.2(4) . . ?
F1 Sb F2 96.9(2) . 2_756 ?
F2 Sb F2 65.8(2) . 2_756 ?
C1 Sb F2 79.8(3) . 2_756 ?
C7 Sb F2 79.1(3) . 2_756 ?
F1 Sb Pt 106.4(2) . . ?
F2 Sb Pt 90.98(15) . . ?
C1 Sb Pt 102.1(3) . . ?
C7 Sb Pt 102.5(3) . . ?
F2 Sb Pt 156.74(13) 2_756 . ?
C40 C39 F7 119.9(12) . . ?
C40 C39 C38 119.4(14) . . ?
F7 C39 C38 120.7(14) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C3 C2 C1 119.9(10) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C13 P2 C19 107.5(5) . . ?
C13 P2 C6 104.6(5) . . ?
C19 P2 C6 103.7(5) . . ?
C13 P2 Pt 113.0(3) . . ?
C19 P2 Pt 112.9(4) . . ?
C6 P2 Pt 114.3(3) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C2 C3 C4 120.7(10) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 120.1(10) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C6 C5 C4 121.0(10) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C5 C6 C1 119.3(10) . . ?
C5 C6 P2 120.3(8) . . ?
C1 C6 P2 120.4(8) . . ?
N1 C59 C60 174.8(16) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O1 C57 C58 108.1(13) . . ?
O1 C57 H57A 110.1 . . ?
C58 C57 H57A 110.1 . . ?
O1 C57 H57B 110.1 . . ?
C58 C57 H57B 110.1 . . ?
H57A C57 H57B 108.4 . . ?
C35 C34 C33 120.5(11) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 121.0(11) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C35 C36 C31 119.3(10) . . ?
C35 C36 H36 120.4 . . ?
C31 C36 H36 120.4 . . ?
C11 C10 C9 119.8(9) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
F13 C48 C47 115.8(10) . . ?
F13 C48 C43 119.8(10) . . ?
C47 C48 C43 124.3(10) . . ?
F12 C47 C46 119.1(10) . . ?
F12 C47 C48 121.1(10) . . ?
C46 C47 C48 119.8(10) . . ?
F11 C46 C45 120.9(10) . . ?
F11 C46 C47 119.8(10) . . ?
C45 C46 C47 119.3(10) . . ?
C20 C19 C24 119.2(10) . . ?
C20 C19 P2 118.7(8) . . ?
C24 C19 P2 121.7(8) . . ?
F14 C50 C51 116.4(10) . . ?
F14 C50 C49 119.3(9) . . ?
C51 C50 C49 124.3(10) . . ?
C46 C45 F10 120.4(10) . . ?
C46 C45 C44 119.9(10) . . ?
F10 C45 C44 119.7(10) . . ?
F15 C51 C50 121.9(11) . . ?
F15 C51 C52 118.6(10) . . ?
C50 C51 C52 119.5(10) . . ?
F9 C44 C45 117.0(9) . . ?
F9 C44 C43 118.7(10) . . ?
C45 C44 C43 124.2(10) . . ?
F16 C52 C53 122.0(11) . . ?
F16 C52 C51 120.6(11) . . ?
C53 C52 C51 117.5(10) . . ?
C48 C43 C44 112.5(10) . . ?
C48 C43 B1 128.9(10) . . ?
C44 C43 B1 118.4(9) . . ?
C52 C53 C54 122.6(10) . . ?
C52 C53 F17 119.2(10) . . ?
C54 C53 F17 118.2(10) . . ?
F4 C42 C41 115.4(12) . . ?
F4 C42 C37 120.9(11) . . ?
C41 C42 C37 123.6(14) . . ?
F5 C41 C42 120.7(15) . . ?
F5 C41 C40 119.4(12) . . ?
C42 C41 C40 119.9(13) . . ?
C17 C18 C13 121.4(10) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C10 C11 C12 121.0(10) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C8 C9 C10 120.7(9) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C12 C7 C8 121.1(9) . . ?
C12 C7 Sb 115.2(7) . . ?
C8 C7 Sb 123.6(8) . . ?
C9 C8 C7 119.1(10) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C54 C49 C50 113.7(9) . . ?
C54 C49 B1 126.9(9) . . ?
C50 C49 B1 119.2(9) . . ?
Sb F2 Sb 114.2(2) . 2_756 ?
C7 C12 C11 118.3(9) . . ?
C7 C12 P1 121.6(7) . . ?
C11 C12 P1 120.1(8) . . ?
C14 C13 C18 118.7(10) . . ?
C14 C13 P2 122.2(8) . . ?
C18 C13 P2 118.9(8) . . ?
C34 C33 C32 119.0(10) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C13 C14 C15 120.7(11) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 118.9(12) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C17 C16 C15 121.2(11) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C22 C21 C20 120.6(11) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C16 C17 C18 119.0(11) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
F18 C54 C53 117.3(9) . . ?
F18 C54 C49 120.4(9) . . ?
C53 C54 C49 122.3(10) . . ?
C22 C23 C24 120.8(12) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C22 C21 119.5(11) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C19 C20 C21 120.4(11) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C30 C25 C26 118.8(9) . . ?
C30 C25 P1 121.7(8) . . ?
C26 C25 P1 118.8(8) . . ?
C23 C24 C19 119.4(11) . . ?
C23 C24 H24 120.3 . . ?
C19 C24 H24 120.3 . . ?
C27 C26 C25 119.9(11) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C29 C30 120.5(11) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C42 C37 C38 113.5(11) . . ?
C42 C37 B1 125.8(11) . . ?
C38 C37 B1 120.6(10) . . ?
C29 C28 C27 120.2(11) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C27 C26 120.8(11) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
F8 C38 C39 117.6(12) . . ?
F8 C38 C37 117.9(10) . . ?
C39 C38 C37 124.3(13) . . ?
C31 C32 C33 120.9(10) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
F6 C40 C39 121.2(14) . . ?
F6 C40 C41 119.6(13) . . ?
C39 C40 C41 119.2(11) . . ?
C32 C31 C36 119.4(9) . . ?
C32 C31 P1 118.8(8) . . ?
C36 C31 P1 121.6(7) . . ?
O1 C55 C56 110.8(17) . . ?
O1 C55 H55A 109.5 . . ?
C56 C55 H55A 109.5 . . ?
O1 C55 H55B 109.5 . . ?
C56 C55 H55B 109.5 . . ?
H55A C55 H55B 108.1 . . ?
C25 C30 C29 119.8(11) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
 
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
C6 C1 C2 C3 0.2(14) . . . . ?
Sb C1 C2 C3 179.3(7) . . . . ?
C1 C2 C3 C4 0.2(15) . . . . ?
C2 C3 C4 C5 0.5(16) . . . . ?
C3 C4 C5 C6 -1.7(16) . . . . ?
C4 C5 C6 C1 2.2(16) . . . . ?
C4 C5 C6 P2 -179.7(8) . . . . ?
C2 C1 C6 C5 -1.4(14) . . . . ?
Sb C1 C6 C5 179.4(8) . . . . ?
C2 C1 C6 P2 -179.5(7) . . . . ?
Sb C1 C6 P2 1.3(11) . . . . ?
C13 P2 C6 C5 54.1(9) . . . . ?
C19 P2 C6 C5 -58.4(9) . . . . ?
Pt P2 C6 C5 178.3(7) . . . . ?
C13 P2 C6 C1 -127.8(8) . . . . ?
C19 P2 C6 C1 119.7(8) . . . . ?
Pt P2 C6 C1 -3.7(9) . . . . ?
C55 O1 C57 C58 -174.9(13) . . . . ?
C33 C34 C35 C36 1.9(18) . . . . ?
C34 C35 C36 C31 -1.3(17) . . . . ?
F13 C48 C47 F12 -1.0(15) . . . . ?
C43 C48 C47 F12 178.2(10) . . . . ?
F13 C48 C47 C46 179.9(10) . . . . ?
C43 C48 C47 C46 -0.8(18) . . . . ?
F12 C47 C46 F11 2.0(17) . . . . ?
C48 C47 C46 F11 -178.9(10) . . . . ?
F12 C47 C46 C45 -178.8(10) . . . . ?
C48 C47 C46 C45 0.3(18) . . . . ?
C13 P2 C19 C20 154.4(9) . . . . ?
C6 P2 C19 C20 -95.2(9) . . . . ?
Pt P2 C19 C20 29.1(10) . . . . ?
C13 P2 C19 C24 -32.8(11) . . . . ?
C6 P2 C19 C24 77.7(10) . . . . ?
Pt P2 C19 C24 -158.1(8) . . . . ?
F11 C46 C45 F10 -2.0(17) . . . . ?
C47 C46 C45 F10 178.8(10) . . . . ?
F11 C46 C45 C44 179.9(10) . . . . ?
C47 C46 C45 C44 0.8(17) . . . . ?
F14 C50 C51 F15 0.6(16) . . . . ?
C49 C50 C51 F15 177.7(10) . . . . ?
F14 C50 C51 C52 -177.7(10) . . . . ?
C49 C50 C51 C52 -0.5(17) . . . . ?
C46 C45 C44 F9 -178.5(10) . . . . ?
F10 C45 C44 F9 3.4(15) . . . . ?
C46 C45 C44 C43 -1.4(17) . . . . ?
F10 C45 C44 C43 -179.5(9) . . . . ?
F15 C51 C52 F16 -1.5(16) . . . . ?
C50 C51 C52 F16 176.8(10) . . . . ?
F15 C51 C52 C53 179.0(10) . . . . ?
C50 C51 C52 C53 -2.7(16) . . . . ?
F13 C48 C43 C44 179.5(9) . . . . ?
C47 C48 C43 C44 0.3(15) . . . . ?
F13 C48 C43 B1 -5.8(16) . . . . ?
C47 C48 C43 B1 175.0(10) . . . . ?
F9 C44 C43 C48 177.9(9) . . . . ?
C45 C44 C43 C48 0.8(15) . . . . ?
F9 C44 C43 B1 2.6(14) . . . . ?
C45 C44 C43 B1 -174.5(10) . . . . ?
F3 B1 C43 C48 134.7(11) . . . . ?
C37 B1 C43 C48 -106.0(12) . . . . ?
C49 B1 C43 C48 17.7(15) . . . . ?
F3 B1 C43 C44 -50.9(12) . . . . ?
C37 B1 C43 C44 68.4(12) . . . . ?
C49 B1 C43 C44 -167.9(9) . . . . ?
F16 C52 C53 C54 -176.7(10) . . . . ?
C51 C52 C53 C54 2.7(17) . . . . ?
F16 C52 C53 F17 1.7(16) . . . . ?
C51 C52 C53 F17 -178.9(9) . . . . ?
F4 C42 C41 F5 -1.5(19) . . . . ?
C37 C42 C41 F5 179.0(12) . . . . ?
F4 C42 C41 C40 178.2(11) . . . . ?
C37 C42 C41 C40 -1(2) . . . . ?
C9 C10 C11 C12 -2.0(16) . . . . ?
C11 C10 C9 C8 2.0(16) . . . . ?
C10 C9 C8 C7 0.1(15) . . . . ?
C12 C7 C8 C9 -2.2(15) . . . . ?
Sb C7 C8 C9 -178.1(7) . . . . ?
F14 C50 C49 C54 -179.4(9) . . . . ?
C51 C50 C49 C54 3.6(16) . . . . ?
F14 C50 C49 B1 -4.0(15) . . . . ?
C51 C50 C49 B1 178.9(10) . . . . ?
F3 B1 C49 C54 112.9(12) . . . . ?
C37 B1 C49 C54 -8.4(15) . . . . ?
C43 B1 C49 C54 -128.4(11) . . . . ?
F3 B1 C49 C50 -61.8(12) . . . . ?
C37 B1 C49 C50 176.9(10) . . . . ?
C43 B1 C49 C50 56.9(13) . . . . ?
C8 C7 C12 C11 2.1(14) . . . . ?
Sb C7 C12 C11 178.4(7) . . . . ?
C8 C7 C12 P1 -177.2(7) . . . . ?
Sb C7 C12 P1 -0.9(10) . . . . ?
C10 C11 C12 C7 0.0(15) . . . . ?
C10 C11 C12 P1 179.3(8) . . . . ?
C25 P1 C12 C7 124.8(8) . . . . ?
C31 P1 C12 C7 -119.8(8) . . . . ?
Pt P1 C12 C7 3.2(9) . . . . ?
C25 P1 C12 C11 -54.5(9) . . . . ?
C31 P1 C12 C11 60.9(9) . . . . ?
Pt P1 C12 C11 -176.1(7) . . . . ?
C17 C18 C13 C14 -0.3(16) . . . . ?
C17 C18 C13 P2 -174.9(8) . . . . ?
C19 P2 C13 C14 134.2(9) . . . . ?
C6 P2 C13 C14 24.4(10) . . . . ?
Pt P2 C13 C14 -100.5(9) . . . . ?
C19 P2 C13 C18 -51.3(9) . . . . ?
C6 P2 C13 C18 -161.1(8) . . . . ?
Pt P2 C13 C18 73.9(8) . . . . ?
C35 C34 C33 C32 -1.4(18) . . . . ?
C18 C13 C14 C15 1.1(17) . . . . ?
P2 C13 C14 C15 175.6(9) . . . . ?
C13 C14 C15 C16 -2.4(19) . . . . ?
C14 C15 C16 C17 2.8(19) . . . . ?
C15 C16 C17 C18 -2.1(19) . . . . ?
C13 C18 C17 C16 0.8(17) . . . . ?
C52 C53 C54 F18 -178.7(10) . . . . ?
F17 C53 C54 F18 2.9(15) . . . . ?
C52 C53 C54 C49 0.5(18) . . . . ?
F17 C53 C54 C49 -177.9(10) . . . . ?
C50 C49 C54 F18 175.6(9) . . . . ?
B1 C49 C54 F18 0.7(17) . . . . ?
C50 C49 C54 C53 -3.5(16) . . . . ?
B1 C49 C54 C53 -178.5(10) . . . . ?
C24 C23 C22 C21 -3(2) . . . . ?
C20 C21 C22 C23 2.5(19) . . . . ?
C24 C19 C20 C21 -2.0(17) . . . . ?
P2 C19 C20 C21 171.1(9) . . . . ?
C22 C21 C20 C19 -0.1(18) . . . . ?
C31 P1 C25 C30 36.2(10) . . . . ?
C12 P1 C25 C30 148.6(8) . . . . ?
Pt P1 C25 C30 -87.1(8) . . . . ?
C31 P1 C25 C26 -153.9(8) . . . . ?
C12 P1 C25 C26 -41.5(9) . . . . ?
Pt P1 C25 C26 82.7(8) . . . . ?
C22 C23 C24 C19 0.8(19) . . . . ?
C20 C19 C24 C23 1.6(17) . . . . ?
P2 C19 C24 C23 -171.2(9) . . . . ?
C30 C25 C26 C27 0.0(16) . . . . ?
P1 C25 C26 C27 -170.2(9) . . . . ?
F4 C42 C37 C38 -176.7(11) . . . . ?
C41 C42 C37 C38 2.7(18) . . . . ?
F4 C42 C37 B1 -1.3(18) . . . . ?
C41 C42 C37 B1 178.2(12) . . . . ?
F3 B1 C37 C42 0.2(16) . . . . ?
C43 B1 C37 C42 -117.3(12) . . . . ?
C49 B1 C37 C42 118.1(12) . . . . ?
F3 B1 C37 C38 175.4(9) . . . . ?
C43 B1 C37 C38 57.9(13) . . . . ?
C49 B1 C37 C38 -66.7(13) . . . . ?
C30 C29 C28 C27 -0.2(19) . . . . ?
C29 C28 C27 C26 -0.5(19) . . . . ?
C25 C26 C27 C28 0.6(17) . . . . ?
C40 C39 C38 F8 178.1(10) . . . . ?
F7 C39 C38 F8 -2.3(16) . . . . ?
C40 C39 C38 C37 2.5(18) . . . . ?
F7 C39 C38 C37 -177.9(10) . . . . ?
C42 C37 C38 F8 -178.9(10) . . . . ?
B1 C37 C38 F8 5.3(15) . . . . ?
C42 C37 C38 C39 -3.3(17) . . . . ?
B1 C37 C38 C39 -179.1(10) . . . . ?
C34 C33 C32 C31 0.2(17) . . . . ?
F7 C39 C40 F6 0.7(18) . . . . ?
C38 C39 C40 F6 -179.6(11) . . . . ?
F7 C39 C40 C41 179.7(11) . . . . ?
C38 C39 C40 C41 -0.7(18) . . . . ?
F5 C41 C40 F6 -1.2(19) . . . . ?
C42 C41 C40 F6 179.1(11) . . . . ?
F5 C41 C40 C39 179.9(12) . . . . ?
C42 C41 C40 C39 0(2) . . . . ?
C33 C32 C31 C36 0.4(15) . . . . ?
C33 C32 C31 P1 -173.7(8) . . . . ?
C35 C36 C31 C32 0.1(15) . . . . ?
C35 C36 C31 P1 174.1(8) . . . . ?
C25 P1 C31 C32 -150.3(8) . . . . ?
C12 P1 C31 C32 96.7(8) . . . . ?
Pt P1 C31 C32 -27.9(9) . . . . ?
C25 P1 C31 C36 35.7(10) . . . . ?
C12 P1 C31 C36 -77.2(9) . . . . ?
Pt P1 C31 C36 158.1(8) . . . . ?
C57 O1 C55 C56 -176.7(15) . . . . ?
C26 C25 C30 C29 -0.6(15) . . . . ?
P1 C25 C30 C29 169.2(9) . . . . ?
C28 C29 C30 C25 0.7(17) . . . . ?
 
_refine_diff_density_max    4.096
_refine_diff_density_min   -2.857
_refine_diff_density_rms    0.246





****

data_6
_audit_creation_date              2016-09-09
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common             ?
_chemical_name_systematic         ?
_chemical_formula_moiety
'C86 H78 F4 N2 P4 Pt2 Sb2, 2(B C18 F16), 3.14(C H2 Cl2)'
_chemical_formula_sum             'C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2'
_chemical_formula_weight          3301.71
_chemical_melting_point           ?
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'
 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pt' 'Pt' -1.7033 8.3905
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sb' 'Sb' -0.5866 1.5461
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system       'triclinic'
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                    8.936(2)
_cell_length_b                    19.412(5)
_cell_length_c                    20.369(5)
_cell_angle_alpha                 115.125(3)
_cell_angle_beta                  102.188(3)
_cell_angle_gamma                 92.038(3)
_cell_volume                      3095.3(13)
_cell_formula_units_Z             1
_cell_measurement_reflns_used     8681
_cell_measurement_temperature     110.0
_cell_measurement_theta_max       24.558
_cell_measurement_theta_min       2.281
_shelx_estimated_absorpt_T_max    0.851
_shelx_estimated_absorpt_T_min    0.316
_exptl_absorpt_coefficient_mu     2.977
_exptl_absorpt_correction_T_max   0.7451
_exptl_absorpt_correction_T_min   0.6319
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0900 before and 0.0442 after correction.
The Ratio of minimum to maximum transmission is 0.8481.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             colourless
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.771
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        plate
_exptl_crystal_F_000              1608
_exptl_crystal_size_max           0.503
_exptl_crystal_size_mid           0.069
_exptl_crystal_size_min           0.056
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0392
_diffrn_reflns_av_unetI/netI      0.0464
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_k_max        22
_diffrn_reflns_limit_k_min        -22
_diffrn_reflns_limit_l_max        23
_diffrn_reflns_limit_l_min        -23
_diffrn_reflns_number             28678
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full         24.407
_diffrn_reflns_theta_max          24.407
_diffrn_reflns_theta_min          1.963
_diffrn_ambient_temperature       110.0
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    ?
_diffrn_special_details           ?
_diffrn_standards_number          0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 8685
_reflns_number_total              10184
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        ?
_computing_data_collection        ?
_computing_data_reduction         ?
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2015)'
_computing_structure_solution     ?
_refine_diff_density_max          1.819
_refine_diff_density_min          -0.859
_refine_diff_density_rms          0.121
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.043
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      878
_refine_ls_number_reflns          10184
_refine_ls_number_restraints      309
_refine_ls_R_factor_all           0.0458
_refine_ls_R_factor_gt            0.0359
_refine_ls_restrained_S_all       1.027
_refine_ls_shift/su_max           0.003
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0421P)²+8.5420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0866
_refine_ls_wR_factor_ref          0.0913
_refine_special_details           ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
N1 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim N1A \\sim
C38A \\sim C39A \\sim C40A \\sim C41A \\sim C42A \\sim C43A: within 2A with
sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(N1) = Uanis(N1A)
3. Rigid body (RIGU) restrains
 N1, C38, C39, C40, C41, C42, C43, N1A, C38A, C39A, C40A, C41A, C42A, C43A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Same fragment restrains
{N1, C38, C39, C40, C41, C42, C43} sigma for 1-2: 0.005, 1-3: 0.04
as
{N1A, C38A, C39A, C40A, C41A, C42A, C43A}
5. Others
 Sof(N1A)=Sof(C38A)=Sof(H38A)=Sof(C39A)=Sof(H39C)=Sof(H39D)=Sof(C40A)=
 Sof(H40C)=Sof(H40D)=Sof(C41A)=Sof(H41C)=Sof(H41D)=Sof(C42A)=Sof(H42C)=
 Sof(H42D)=Sof(C43A)=Sof(H43C)=Sof(H43D)=1-FVAR(1)
 Sof(N1)=Sof(C38)=Sof(H38)=Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(C40)=Sof(H40A)=
 Sof(H40B)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(C43)=
 Sof(H43A)=Sof(H43B)=FVAR(1)
 Fixed Sof: Cl3S(0.57) Cl4S(0.57) C2S(0.57) H2SA(0.57) H2SB(0.57)
6.a Ternary CH refined with riding coordinates:
 C38(H38), C38A(H38A)
6.b Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B), C40(H40A,H40B), C41(H41A,H41B), C42(H42A,H42B), C43(H43A,
 H43B), C39A(H39C,H39D), C40A(H40C,H40D), C41A(H41C,H41D), C42A(H42C,H42D),
 C43A(H43C,H43D), C1S(H1SA,H1SB), C2S(H2SA,H2SB)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22),
  C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
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 0.65472(2) 0.70969(2) 0.66120(2) 0.01629(8) Uani 1 1 d . . . . .
 Sb1 Sb 0.45554(4) 0.59369(2) 0.57337(2) 0.01514(10) Uani 1 1 d . . . . .
 P1 P 0.58844(16) 0.75258(8) 0.57172(8) 0.0151(3) Uani 1 1 d . . . . .
 P2 P 0.68825(16) 0.65389(8) 0.74116(8) 0.0165(3) Uani 1 1 d . . . . .
 F1 F 0.2515(4) 0.6168(2) 0.5941(2) 0.0352(9) Uani 1 1 d . . . . .
 F2 F 0.3691(3) 0.46167(17) 0.47177(16) 0.0192(7) Uani 1 1 d . . . . .
 C1 C 0.3746(6) 0.6175(3) 0.4808(3) 0.0153(11) Uani 1 1 d . . . . .
 C2 C 0.2568(6) 0.5716(3) 0.4177(3) 0.0185(12) Uani 1 1 d . . . . .
 H2 H 0.2100 0.5243 0.4125 0.022 Uiso 1 1 calc R . . . .
 C3 C 0.2089(6) 0.5955(3) 0.3627(3) 0.0214(13) Uani 1 1 d . . . . .
 H3 H 0.1293 0.5641 0.3194 0.026 Uiso 1 1 calc R . . . .
 C4 C 0.2752(6) 0.6647(3) 0.3698(3) 0.0210(13) Uani 1 1 d . . . . .
 H4 H 0.2412 0.6804 0.3315 0.025 Uiso 1 1 calc R . . . .
 C5 C 0.3899(6) 0.7104(3) 0.4320(3) 0.0205(13) Uani 1 1 d . . . . .
 H5 H 0.4359 0.7576 0.4366 0.025 Uiso 1 1 calc R . . . .
 C6 C 0.4397(6) 0.6877(3) 0.4890(3) 0.0151(12) Uani 1 1 d . . . . .
 C7 C 0.4588(6) 0.5294(3) 0.6354(3) 0.0151(11) Uani 1 1 d . . . . .
 C8 C 0.5627(6) 0.5639(3) 0.7072(3) 0.0165(12) Uani 1 1 d . . . . .
 C9 C 0.5706(6) 0.5263(3) 0.7525(3) 0.0202(12) Uani 1 1 d . . . . .
 H9 H 0.6409 0.5484 0.8006 0.024 Uiso 1 1 calc R . . . .
 C10 C 0.4782(7) 0.4574(3) 0.7289(3) 0.0226(13) Uani 1 1 d . . . . .
 H10 H 0.4858 0.4321 0.7603 0.027 Uiso 1 1 calc R . . . .
 C11 C 0.3745(6) 0.4256(3) 0.6592(3) 0.0207(13) Uani 1 1 d . . . . .
 H11 H 0.3096 0.3786 0.6429 0.025 Uiso 1 1 calc R . . . .
 C12 C 0.3647(6) 0.4614(3) 0.6135(3) 0.0193(12) Uani 1 1 d . . . . .
 H12 H 0.2921 0.4392 0.5661 0.023 Uiso 1 1 calc R . . . .
 C13 C 0.5100(6) 0.8421(3) 0.6075(3) 0.0164(12) Uani 1 1 d . . . . .
 C14 C 0.3502(6) 0.8406(3) 0.5947(3) 0.0231(13) Uani 1 1 d . . . . .
 H14 H 0.2839 0.7931 0.5649 0.028 Uiso 1 1 calc R . . . .
 C15 C 0.2880(7) 0.9076(3) 0.6253(3) 0.0279(14) Uani 1 1 d . . . . .
 H15 H 0.1791 0.9066 0.6169 0.033 Uiso 1 1 calc R . . . .
 C16 C 0.3847(7) 0.9760(4) 0.6677(3) 0.0296(15) Uani 1 1 d . . . . .
 H16 H 0.3423 1.0225 0.6879 0.036 Uiso 1 1 calc R . . . .
 C17 C 0.5429(7) 0.9777(3) 0.6814(3) 0.0254(14) Uani 1 1 d . . . . .
 H17 H 0.6090 1.0251 0.7116 0.030 Uiso 1 1 calc R . . . .
 C18 C 0.6055(7) 0.9108(3) 0.6513(3) 0.0206(13) Uani 1 1 d . . . . .
 H18 H 0.7145 0.9121 0.6608 0.025 Uiso 1 1 calc R . . . .
 C19 C 0.7486(6) 0.7655(3) 0.5348(3) 0.0162(12) Uani 1 1 d . . . . .
 C20 C 0.7569(7) 0.8169(3) 0.5039(3) 0.0220(13) Uani 1 1 d . . . . .
 H20 H 0.6822 0.8510 0.5066 0.026 Uiso 1 1 calc R . . . .
 C21 C 0.8734(7) 0.8183(3) 0.4693(3) 0.0255(14) Uani 1 1 d . . . . .
 H21 H 0.8802 0.8541 0.4491 0.031 Uiso 1 1 calc R . . . .
 C22 C 0.9798(6) 0.7678(3) 0.4640(3) 0.0256(14) Uani 1 1 d . . . . .
 H22 H 1.0581 0.7676 0.4388 0.031 Uiso 1 1 calc R . . . .
 C23 C 0.9729(6) 0.7176(3) 0.4951(3) 0.0252(14) Uani 1 1 d . . . . .
 H23 H 1.0477 0.6834 0.4919 0.030 Uiso 1 1 calc R . . . .
 C24 C 0.8599(6) 0.7162(3) 0.5305(3) 0.0211(13) Uani 1 1 d . . . . .
 H24 H 0.8570 0.6817 0.5523 0.025 Uiso 1 1 calc R . . . .
 C25 C 0.6495(6) 0.7139(3) 0.8298(3) 0.0198(12) Uani 1 1 d . . . . .
 C26 C 0.7615(7) 0.7721(4) 0.8871(3) 0.0338(16) Uani 1 1 d . . . . .
 H26 H 0.8613 0.7799 0.8800 0.041 Uiso 1 1 calc R . . . .
 C27 C 0.7281(9) 0.8182(4) 0.9538(4) 0.047(2) Uani 1 1 d . . . . .
 H27 H 0.8043 0.8580 0.9926 0.057 Uiso 1 1 calc R . . . .
 C28 C 0.5850(9) 0.8064(5) 0.9642(4) 0.048(2) Uani 1 1 d . . . . .
 H28 H 0.5634 0.8375 1.0108 0.058 Uiso 1 1 calc R . . . .
 C29 C 0.4726(9) 0.7507(4) 0.9086(4) 0.050(2) Uani 1 1 d . . . . .
 H29 H 0.3728 0.7438 0.9161 0.060 Uiso 1 1 calc R . . . .
 C30 C 0.5047(8) 0.7044(4) 0.8414(4) 0.0363(16) Uani 1 1 d . . . . .
 H30 H 0.4265 0.6657 0.8026 0.044 Uiso 1 1 calc R . . . .
 C31 C 0.8806(6) 0.6296(3) 0.7608(3) 0.0182(12) Uani 1 1 d . . . . .
 C32 C 0.9633(6) 0.6136(3) 0.7069(3) 0.0224(13) Uani 1 1 d . . . . .
 H32 H 0.9247 0.6218 0.6640 0.027 Uiso 1 1 calc R . . . .
 C33 C 1.1030(7) 0.5854(3) 0.7159(3) 0.0273(14) Uani 1 1 d . . . . .
 H33 H 1.1602 0.5746 0.6791 0.033 Uiso 1 1 calc R . . . .
 C34 C 1.1590(7) 0.5732(3) 0.7776(4) 0.0287(15) Uani 1 1 d . . . . .
 H34 H 1.2524 0.5519 0.7825 0.034 Uiso 1 1 calc R . . . .
 C35 C 1.0790(7) 0.5918(3) 0.8327(3) 0.0273(14) Uani 1 1 d . . . . .
 H35 H 1.1202 0.5857 0.8766 0.033 Uiso 1 1 calc R . . . .
 C36 C 0.9394(6) 0.6194(3) 0.8241(3) 0.0215(13) Uani 1 1 d . . . . .
 H36 H 0.8837 0.6313 0.8616 0.026 Uiso 1 1 calc R . . . .
 C37 C 0.8388(7) 0.7911(3) 0.7210(3) 0.0238(13) Uani 1 1 d . . . . .
 N1 N 0.950(2) 0.831(2) 0.7518(17) 0.025(2) Uani 0.61(2) 1 d D U P A 1
 C38 C 1.0921(16) 0.8846(11) 0.7913(8) 0.029(3) Uani 0.61(2) 1 d D U P A 1
 H38 H 1.0917 0.9248 0.7727 0.035 Uiso 0.61(2) 1 calc R . P A 1
 C39 C 1.2272(15) 0.8416(9) 0.7744(9) 0.040(3) Uani 0.61(2) 1 d D U P A 1
 H39A H 1.2177 0.8172 0.7198 0.047 Uiso 0.61(2) 1 calc R . P A 1
 H39B H 1.2280 0.8007 0.7913 0.047 Uiso 0.61(2) 1 calc R . P A 1
 C40 C 1.3793(15) 0.8985(10) 0.8155(9) 0.047(3) Uani 0.61(2) 1 d D U P A 1
 H40A H 1.4685 0.8698 0.8079 0.056 Uiso 0.61(2) 1 calc R . P A 1
 H40B H 1.3835 0.9354 0.7941 0.056 Uiso 0.61(2) 1 calc R . P A 1
 C41 C 1.3908(15) 0.9410(9) 0.8968(9) 0.043(3) Uani 0.61(2) 1 d D U P A 1
 H41A H 1.4841 0.9802 0.9205 0.052 Uiso 0.61(2) 1 calc R . P A 1
 H41B H 1.4034 0.9047 0.9195 0.052 Uiso 0.61(2) 1 calc R . P A 1
 C42 C 1.2508(17) 0.9802(8) 0.9136(8) 0.035(3) Uani 0.61(2) 1 d D U P A 1
 H42A H 1.2453 1.0213 0.8968 0.042 Uiso 0.61(2) 1 calc R . P A 1
 H42B H 1.2614 1.0044 0.9683 0.042 Uiso 0.61(2) 1 calc R . P A 1
 C43 C 1.1031(16) 0.9236(8) 0.8745(8) 0.031(3) Uani 0.61(2) 1 d D U P A 1
 H43A H 1.1037 0.8848 0.8940 0.037 Uiso 0.61(2) 1 calc R . P A 1
 H43B H 1.0126 0.9508 0.8840 0.037 Uiso 0.61(2) 1 calc R . P A 1
 N1A N 0.959(3) 0.833(3) 0.749(3) 0.025(2) Uani 0.39(2) 1 d D U P A 2
 C38A C 1.113(2) 0.8757(17) 0.7797(13) 0.031(4) Uani 0.39(2) 1 d D U P A 2
 H38A H 1.1181 0.9164 0.7621 0.037 Uiso 0.39(2) 1 calc R . P A 2
 C39A C 1.228(2) 0.8222(14) 0.7509(14) 0.033(4) Uani 0.39(2) 1 d D U P A 2
 H39C H 1.2043 0.8000 0.6956 0.040 Uiso 0.39(2) 1 calc R . P A 2
 H39D H 1.2221 0.7797 0.7653 0.040 Uiso 0.39(2) 1 calc R . P A 2
 C40A C 1.391(2) 0.8696(15) 0.7858(13) 0.042(4) Uani 0.39(2) 1 d D U P A 2
 H40C H 1.4690 0.8346 0.7712 0.051 Uiso 0.39(2) 1 calc R . P A 2
 H40D H 1.3994 0.9072 0.7654 0.051 Uiso 0.39(2) 1 calc R . P A 2
 C41A C 1.427(2) 0.9112(15) 0.8686(12) 0.040(4) Uani 0.39(2) 1 d D U P A 2
 H41C H 1.5304 0.9427 0.8875 0.048 Uiso 0.39(2) 1 calc R . P A 2
 H41D H 1.4320 0.8734 0.8895 0.048 Uiso 0.39(2) 1 calc R . P A 2
 C42A C 1.308(3) 0.9627(12) 0.8957(12) 0.039(4) Uani 0.39(2) 1 d D U P A 2
 H42C H 1.3088 1.0034 0.8786 0.047 Uiso 0.39(2) 1 calc R . P A 2
 H42D H 1.3336 0.9875 0.9511 0.047 Uiso 0.39(2) 1 calc R . P A 2
 C43A C 1.150(2) 0.9144(15) 0.8643(13) 0.039(4) Uani 0.39(2) 1 d D U P A 2
 H43C H 1.1493 0.8750 0.8831 0.047 Uiso 0.39(2) 1 calc R . P A 2
 H43D H 1.0711 0.9474 0.8812 0.047 Uiso 0.39(2) 1 calc R . P A 2
 F3 F -0.0041(4) -0.0017(2) 0.59543(19) 0.0387(9) Uani 1 1 d . . . . .
 F4 F -0.2310(4) -0.0151(2) 0.48152(19) 0.0408(10) Uani 1 1 d . . . . .
 F5 F -0.4582(4) 0.07455(19) 0.50434(18) 0.0292(8) Uani 1 1 d . . . . .
 F6 F -0.4572(4) 0.1763(2) 0.6453(2) 0.0388(9) Uani 1 1 d . . . . .
 F7 F -0.2340(5) 0.1915(2) 0.76067(19) 0.0477(11) Uani 1 1 d . . . . .
 F8 F 0.0655(4) 0.2150(2) 0.6917(2) 0.0363(9) Uani 1 1 d . . . . .
 F9 F 0.3187(5) 0.3091(2) 0.7240(2) 0.0508(11) Uani 1 1 d . . . . .
 F10 F 0.5794(4) 0.3116(2) 0.8211(2) 0.0472(10) Uani 1 1 d . . . . .
 F11 F 0.5828(4) 0.2116(2) 0.8830(2) 0.0473(10) Uani 1 1 d . . . . .
 F12 F 0.3313(4) 0.1142(2) 0.8501(2) 0.0367(9) Uani 1 1 d . . . . .
 F13 F 0.0576(5) 0.2593(2) 0.8761(2) 0.0472(11) Uani 1 1 d . . . . .
 F14 F -0.0383(5) 0.3004(3) 0.9989(2) 0.0585(12) Uani 1 1 d . . . . .
 F15 F -0.1750(5) 0.1935(3) 1.0283(2) 0.0670(15) Uani 1 1 d . . . . .
 F16 F -0.2199(5) 0.0433(3) 0.9278(3) 0.0679(14) Uani 1 1 d . . . . .
 F17 F -0.1340(4) 0.0006(2) 0.8005(2) 0.0405(9) Uani 1 1 d . . . . .
 F18 F 0.0771(4) 0.02521(18) 0.73674(18) 0.0261(8) Uani 1 1 d . . . . .
 C44 C -0.1090(6) 0.0931(3) 0.6846(3) 0.0189(12) Uani 1 1 d . . . . .
 C45 C -0.1159(7) 0.0432(3) 0.6118(3) 0.0227(13) Uani 1 1 d . . . . .
 C46 C -0.2305(7) 0.0362(3) 0.5513(3) 0.0247(14) Uani 1 1 d . . . . .
 C47 C -0.3457(7) 0.0807(3) 0.5621(3) 0.0211(13) Uani 1 1 d . . . . .
 C48 C -0.3441(7) 0.1322(3) 0.6337(3) 0.0259(14) Uani 1 1 d . . . . .
 C49 C -0.2284(7) 0.1374(3) 0.6923(3) 0.0232(13) Uani 1 1 d . . . . .
 C50 C 0.1846(7) 0.1584(3) 0.7684(3) 0.0193(12) Uani 1 1 d . . . . .
 C51 C 0.1920(7) 0.2097(4) 0.7385(3) 0.0278(14) Uani 1 1 d . . . . .
 C52 C 0.3217(7) 0.2603(4) 0.7548(4) 0.0315(15) Uani 1 1 d . . . . .
 C53 C 0.4531(7) 0.2607(4) 0.8027(4) 0.0344(16) Uani 1 1 d . . . . .
 C54 C 0.4538(7) 0.2107(4) 0.8345(3) 0.0315(15) Uani 1 1 d . . . . .
 C55 C 0.3237(7) 0.1614(3) 0.8165(3) 0.0260(14) Uani 1 1 d . . . . .
 C56 C -0.0265(6) 0.1262(3) 0.8320(3) 0.0214(13) Uani 1 1 d . . . . .
 C57 C -0.0094(7) 0.2021(4) 0.8861(3) 0.0291(15) Uani 1 1 d . . . . .
 C58 C -0.0585(8) 0.2248(4) 0.9503(3) 0.0372(17) Uani 1 1 d . . . . .
 C59 C -0.1267(8) 0.1724(5) 0.9651(4) 0.0400(18) Uani 1 1 d . . . . .
 C60 C -0.1507(7) 0.0969(5) 0.9143(4) 0.0393(18) Uani 1 1 d . . . . .
 C61 C -0.1009(7) 0.0759(4) 0.8498(3) 0.0281(14) Uani 1 1 d . . . . .
 B1 B 0.0325(8) 0.0989(4) 0.7547(4) 0.0207(14) Uani 1 1 d . . . . .
 Cl1S Cl 0.8464(3) 0.48273(15) 0.90756(15) 0.0810(7) Uani 1 1 d . . . . .
 Cl2S Cl 1.0373(3) 0.39392(14) 0.81211(14) 0.0776(7) Uani 1 1 d . . . . .
 C1S C 0.9453(11) 0.4026(5) 0.8818(5) 0.070(3) Uani 1 1 d . . . . .
 H1SA H 1.0231 0.4070 0.9264 0.084 Uiso 1 1 calc R . . . .
 H1SB H 0.8710 0.3556 0.8639 0.084 Uiso 1 1 calc R . . . .
 Cl3S Cl 0.3982(6) 0.5158(3) 0.9190(3) 0.1001(16) Uani 0.57 1 d . . P . .
 Cl4S Cl 0.6522(6) 0.6356(2) 1.0025(3) 0.0937(16) Uani 0.57 1 d . . P . .
 C2S C 0.469(2) 0.5999(8) 0.9833(9) 0.081(6) Uani 0.57 1 d . . P . .
 H2SA H 0.4512 0.6019 1.0304 0.097 Uiso 0.57 1 calc R . P . .
 H2SB H 0.4065 0.6361 0.9716 0.097 Uiso 0.57 1 calc R . P . .


_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 Sb1 2.5275(6) . ?
 Pt1 P1 2.2877(14) . ?
 Pt1 P2 2.2871(15) . ?
 Pt1 C37 2.005(6) . ?
 Sb1 F1 1.982(3) . ?
 Sb1 F2 2.084(3) 2_666 ?
 Sb1 F2 2.475(3) . ?
 Sb1 C1 2.116(5) . ?
 Sb1 C7 2.116(5) . ?
 P1 C6 1.823(5) . ?
 P1 C13 1.808(5) . ?
 P1 C19 1.808(5) . ?
 P2 C8 1.815(6) . ?
 P2 C25 1.801(6) . ?
 P2 C31 1.807(6) . ?
 F2 Sb1 2.084(3) 2_666 ?
 C1 C2 1.394(7) . ?
 C1 C6 1.390(8) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.381(8) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.385(8) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.370(8) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.404(8) . ?
 C7 C8 1.414(7) . ?
 C7 C12 1.383(7) . ?
 C8 C9 1.392(8) . ?
 C9 H9 0.9500 . ?
 C9 C10 1.382(8) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.384(8) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.369(8) . ?
 C12 H12 0.9500 . ?
 C13 C14 1.393(8) . ?
 C13 C18 1.374(8) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.379(8) . ?
 C15 H15 0.9500 . ?
 C15 C16 1.372(9) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.379(8) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.376(8) . ?
 C18 H18 0.9500 . ?
 C19 C20 1.393(8) . ?
 C19 C24 1.395(8) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.381(8) . ?
 C21 H21 0.9500 . ?
 C21 C22 1.378(8) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.376(8) . ?
 C23 H23 0.9500 . ?
 C23 C24 1.365(8) . ?
 C24 H24 0.9500 . ?
 C25 C26 1.394(8) . ?
 C25 C30 1.383(9) . ?
 C26 H26 0.9500 . ?
 C26 C27 1.377(9) . ?
 C27 H27 0.9500 . ?
 C27 C28 1.365(11) . ?
 C28 H28 0.9500 . ?
 C28 C29 1.365(11) . ?
 C29 H29 0.9500 . ?
 C29 C30 1.379(9) . ?
 C30 H30 0.9500 . ?
 C31 C32 1.385(8) . ?
 C31 C36 1.384(8) . ?
 C32 H32 0.9500 . ?
 C32 C33 1.388(8) . ?
 C33 H33 0.9500 . ?
 C33 C34 1.374(9) . ?
 C34 H34 0.9500 . ?
 C34 C35 1.383(9) . ?
 C35 H35 0.9500 . ?
 C35 C36 1.381(8) . ?
 C36 H36 0.9500 . ?
 C37 N1 1.121(16) . ?
 C37 N1A 1.19(3) . ?
 N1 C38 1.448(9) . ?
 C38 H38 1.0000 . ?
 C38 C39 1.509(12) . ?
 C38 C43 1.514(11) . ?
 C39 H39A 0.9900 . ?
 C39 H39B 0.9900 . ?
 C39 C40 1.547(11) . ?
 C40 H40A 0.9900 . ?
 C40 H40B 0.9900 . ?
 C40 C41 1.482(16) . ?
 C41 H41A 0.9900 . ?
 C41 H41B 0.9900 . ?
 C41 C42 1.512(17) . ?
 C42 H42A 0.9900 . ?
 C42 H42B 0.9900 . ?
 C42 C43 1.515(11) . ?
 C43 H43A 0.9900 . ?
 C43 H43B 0.9900 . ?
 N1A C38A 1.448(9) . ?
 C38A H38A 1.0000 . ?
 C38A C39A 1.509(12) . ?
 C38A C43A 1.513(11) . ?
 C39A H39C 0.9900 . ?
 C39A H39D 0.9900 . ?
 C39A C40A 1.547(11) . ?
 C40A H40C 0.9900 . ?
 C40A H40D 0.9900 . ?
 C40A C41A 1.482(17) . ?
 C41A H41C 0.9900 . ?
 C41A H41D 0.9900 . ?
 C41A C42A 1.512(17) . ?
 C42A H42C 0.9900 . ?
 C42A H42D 0.9900 . ?
 C42A C43A 1.515(12) . ?
 C43A H43C 0.9900 . ?
 C43A H43D 0.9900 . ?
 F3 C45 1.350(6) . ?
 F4 C46 1.345(6) . ?
 F5 C47 1.335(6) . ?
 F6 C48 1.342(6) . ?
 F7 C49 1.355(6) . ?
 F8 C51 1.355(7) . ?
 F9 C52 1.339(7) . ?
 F10 C53 1.349(7) . ?
 F11 C54 1.345(7) . ?
 F12 C55 1.354(7) . ?
 F13 C57 1.352(7) . ?
 F14 C58 1.356(8) . ?
 F15 C59 1.345(7) . ?
 F16 C60 1.344(8) . ?
 F17 C61 1.352(7) . ?
 F18 B1 1.413(7) . ?
 C44 C45 1.371(8) . ?
 C44 C49 1.387(8) . ?
 C44 B1 1.656(8) . ?
 C45 C46 1.378(8) . ?
 C46 C47 1.362(8) . ?
 C47 C48 1.370(8) . ?
 C48 C49 1.367(8) . ?
 C50 C51 1.377(8) . ?
 C50 C55 1.393(8) . ?
 C50 B1 1.647(8) . ?
 C51 C52 1.377(8) . ?
 C52 C53 1.356(9) . ?
 C53 C54 1.376(9) . ?
 C54 C55 1.358(9) . ?
 C56 C57 1.393(9) . ?
 C56 C61 1.373(8) . ?
 C56 B1 1.642(8) . ?
 C57 C58 1.366(9) . ?
 C58 C59 1.338(10) . ?
 C59 C60 1.365(10) . ?
 C60 C61 1.378(9) . ?
 Cl1S C1S 1.753(9) . ?
 Cl2S C1S 1.737(10) . ?
 C1S H1SA 0.9900 . ?
 C1S H1SB 0.9900 . ?
 Cl3S C2S 1.595(15) . ?
 Cl4S C2S 1.649(19) . ?
 C2S H2SA 0.9900 . ?
 C2S H2SB 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 Sb1 85.77(4) . . ?
 P2 Pt1 Sb1 85.96(4) . . ?
 P2 Pt1 P1 171.47(5) . . ?
 C37 Pt1 Sb1 169.87(17) . . ?
 C37 Pt1 P1 93.96(16) . . ?
 C37 Pt1 P2 94.55(16) . . ?
 F1 Sb1 Pt1 108.34(12) . . ?
 F1 Sb1 F2 97.55(13) . . ?
 F1 Sb1 F2 162.91(14) . 2_666 ?
 F1 Sb1 C1 84.74(17) . . ?
 F1 Sb1 C7 85.80(17) . . ?
 F2 Sb1 Pt1 154.11(7) . . ?
 F2 Sb1 Pt1 88.75(8) 2_666 . ?
 F2 Sb1 F2 65.36(13) 2_666 . ?
 F2 Sb1 C1 91.89(16) 2_666 . ?
 F2 Sb1 C7 90.36(16) 2_666 . ?
 C1 Sb1 Pt1 102.50(15) . . ?
 C1 Sb1 F2 79.50(16) . . ?
 C1 Sb1 C7 154.9(2) . . ?
 C7 Sb1 Pt1 102.58(15) . . ?
 C7 Sb1 F2 78.72(16) . . ?
 C6 P1 Pt1 114.33(18) . . ?
 C13 P1 Pt1 111.28(18) . . ?
 C13 P1 C6 104.9(2) . . ?
 C19 P1 Pt1 112.96(18) . . ?
 C19 P1 C6 104.1(2) . . ?
 C19 P1 C13 108.7(2) . . ?
 C8 P2 Pt1 114.55(18) . . ?
 C25 P2 Pt1 112.54(19) . . ?
 C25 P2 C8 104.4(3) . . ?
 C25 P2 C31 107.2(3) . . ?
 C31 P2 Pt1 113.44(18) . . ?
 C31 P2 C8 103.9(2) . . ?
 Sb1 F2 Sb1 114.64(13) 2_666 . ?
 C2 C1 Sb1 125.0(4) . . ?
 C6 C1 Sb1 114.8(4) . . ?
 C6 C1 C2 120.0(5) . . ?
 C1 C2 H2 120.3 . . ?
 C3 C2 C1 119.4(5) . . ?
 C3 C2 H2 120.3 . . ?
 C2 C3 H3 119.6 . . ?
 C2 C3 C4 120.9(5) . . ?
 C4 C3 H3 119.6 . . ?
 C3 C4 H4 120.0 . . ?
 C5 C4 C3 119.9(5) . . ?
 C5 C4 H4 120.0 . . ?
 C4 C5 H5 119.9 . . ?
 C4 C5 C6 120.2(5) . . ?
 C6 C5 H5 119.9 . . ?
 C1 C6 P1 122.5(4) . . ?
 C1 C6 C5 119.4(5) . . ?
 C5 C6 P1 118.0(4) . . ?
 C8 C7 Sb1 114.5(4) . . ?
 C12 C7 Sb1 126.0(4) . . ?
 C12 C7 C8 119.4(5) . . ?
 C7 C8 P2 122.4(4) . . ?
 C9 C8 P2 119.2(4) . . ?
 C9 C8 C7 118.4(5) . . ?
 C8 C9 H9 119.3 . . ?
 C10 C9 C8 121.4(5) . . ?
 C10 C9 H9 119.3 . . ?
 C9 C10 H10 120.4 . . ?
 C9 C10 C11 119.3(5) . . ?
 C11 C10 H10 120.4 . . ?
 C10 C11 H11 119.8 . . ?
 C12 C11 C10 120.5(5) . . ?
 C12 C11 H11 119.8 . . ?
 C7 C12 H12 119.5 . . ?
 C11 C12 C7 121.0(5) . . ?
 C11 C12 H12 119.5 . . ?
 C14 C13 P1 119.2(4) . . ?
 C18 C13 P1 121.0(4) . . ?
 C18 C13 C14 119.7(5) . . ?
 C13 C14 H14 119.9 . . ?
 C15 C14 C13 120.2(5) . . ?
 C15 C14 H14 119.9 . . ?
 C14 C15 H15 120.3 . . ?
 C16 C15 C14 119.5(6) . . ?
 C16 C15 H15 120.3 . . ?
 C15 C16 H16 119.7 . . ?
 C15 C16 C17 120.5(6) . . ?
 C17 C16 H16 119.7 . . ?
 C16 C17 H17 119.9 . . ?
 C18 C17 C16 120.2(6) . . ?
 C18 C17 H17 119.9 . . ?
 C13 C18 C17 119.9(5) . . ?
 C13 C18 H18 120.0 . . ?
 C17 C18 H18 120.0 . . ?
 C20 C19 P1 122.8(4) . . ?
 C20 C19 C24 119.1(5) . . ?
 C24 C19 P1 117.8(4) . . ?
 C19 C20 H20 119.9 . . ?
 C21 C20 C19 120.2(5) . . ?
 C21 C20 H20 119.9 . . ?
 C20 C21 H21 120.1 . . ?
 C22 C21 C20 119.8(6) . . ?
 C22 C21 H21 120.1 . . ?
 C21 C22 H22 119.9 . . ?
 C23 C22 C21 120.1(6) . . ?
 C23 C22 H22 119.9 . . ?
 C22 C23 H23 119.6 . . ?
 C24 C23 C22 120.7(5) . . ?
 C24 C23 H23 119.6 . . ?
 C19 C24 H24 120.0 . . ?
 C23 C24 C19 120.0(6) . . ?
 C23 C24 H24 120.0 . . ?
 C26 C25 P2 121.4(5) . . ?
 C30 C25 P2 120.0(5) . . ?
 C30 C25 C26 118.6(6) . . ?
 C25 C26 H26 119.9 . . ?
 C27 C26 C25 120.3(6) . . ?
 C27 C26 H26 119.9 . . ?
 C26 C27 H27 120.1 . . ?
 C28 C27 C26 119.8(7) . . ?
 C28 C27 H27 120.1 . . ?
 C27 C28 H28 119.5 . . ?
 C27 C28 C29 121.1(6) . . ?
 C29 C28 H28 119.5 . . ?
 C28 C29 H29 120.2 . . ?
 C28 C29 C30 119.6(7) . . ?
 C30 C29 H29 120.2 . . ?
 C25 C30 H30 119.7 . . ?
 C29 C30 C25 120.7(7) . . ?
 C29 C30 H30 119.7 . . ?
 C32 C31 P2 118.1(4) . . ?
 C36 C31 P2 121.7(4) . . ?
 C36 C31 C32 119.9(5) . . ?
 C31 C32 H32 120.2 . . ?
 C31 C32 C33 119.6(6) . . ?
 C33 C32 H32 120.2 . . ?
 C32 C33 H33 119.8 . . ?
 C34 C33 C32 120.4(6) . . ?
 C34 C33 H33 119.8 . . ?
 C33 C34 H34 120.1 . . ?
 C33 C34 C35 119.9(6) . . ?
 C35 C34 H34 120.1 . . ?
 C34 C35 H35 119.9 . . ?
 C36 C35 C34 120.1(6) . . ?
 C36 C35 H35 119.9 . . ?
 C31 C36 H36 120.0 . . ?
 C35 C36 C31 120.0(5) . . ?
 C35 C36 H36 120.0 . . ?
 N1 C37 Pt1 173.5(18) . . ?
 N1A C37 Pt1 171(2) . . ?
 C37 N1 C38 179(4) . . ?
 N1 C38 H38 108.7 . . ?
 N1 C38 C39 109.0(12) . . ?
 N1 C38 C43 110.2(12) . . ?
 C39 C38 H38 108.7 . . ?
 C39 C38 C43 111.5(9) . . ?
 C43 C38 H38 108.7 . . ?
 C38 C39 H39A 109.8 . . ?
 C38 C39 H39B 109.8 . . ?
 C38 C39 C40 109.2(10) . . ?
 H39A C39 H39B 108.3 . . ?
 C40 C39 H39A 109.8 . . ?
 C40 C39 H39B 109.8 . . ?
 C39 C40 H40A 109.4 . . ?
 C39 C40 H40B 109.4 . . ?
 H40A C40 H40B 108.0 . . ?
 C41 C40 C39 111.2(10) . . ?
 C41 C40 H40A 109.4 . . ?
 C41 C40 H40B 109.4 . . ?
 C40 C41 H41A 109.0 . . ?
 C40 C41 H41B 109.0 . . ?
 C40 C41 C42 112.9(9) . . ?
 H41A C41 H41B 107.8 . . ?
 C42 C41 H41A 109.0 . . ?
 C42 C41 H41B 109.0 . . ?
 C41 C42 H42A 109.4 . . ?
 C41 C42 H42B 109.4 . . ?
 C41 C42 C43 111.3(10) . . ?
 H42A C42 H42B 108.0 . . ?
 C43 C42 H42A 109.4 . . ?
 C43 C42 H42B 109.4 . . ?
 C38 C43 C42 108.7(10) . . ?
 C38 C43 H43A 110.0 . . ?
 C38 C43 H43B 110.0 . . ?
 C42 C43 H43A 110.0 . . ?
 C42 C43 H43B 110.0 . . ?
 H43A C43 H43B 108.3 . . ?
 C37 N1A C38A 173(5) . . ?
 N1A C38A H38A 108.3 . . ?
 N1A C38A C39A 109.5(17) . . ?
 N1A C38A C43A 110.3(18) . . ?
 C39A C38A H38A 108.3 . . ?
 C39A C38A C43A 111.9(14) . . ?
 C43A C38A H38A 108.3 . . ?
 C38A C39A H39C 110.2 . . ?
 C38A C39A H39D 110.2 . . ?
 C38A C39A C40A 107.8(14) . . ?
 H39C C39A H39D 108.5 . . ?
 C40A C39A H39C 110.2 . . ?
 C40A C39A H39D 110.2 . . ?
 C39A C40A H40C 109.0 . . ?
 C39A C40A H40D 109.0 . . ?
 H40C C40A H40D 107.8 . . ?
 C41A C40A C39A 112.8(14) . . ?
 C41A C40A H40C 109.0 . . ?
 C41A C40A H40D 109.0 . . ?
 C40A C41A H41C 109.2 . . ?
 C40A C41A H41D 109.2 . . ?
 C40A C41A C42A 112.2(13) . . ?
 H41C C41A H41D 107.9 . . ?
 C42A C41A H41C 109.2 . . ?
 C42A C41A H41D 109.2 . . ?
 C41A C42A H42C 109.9 . . ?
 C41A C42A H42D 109.9 . . ?
 C41A C42A C43A 108.8(14) . . ?
 H42C C42A H42D 108.3 . . ?
 C43A C42A H42C 109.9 . . ?
 C43A C42A H42D 109.9 . . ?
 C38A C43A C42A 109.7(14) . . ?
 C38A C43A H43C 109.7 . . ?
 C38A C43A H43D 109.7 . . ?
 C42A C43A H43C 109.7 . . ?
 C42A C43A H43D 109.7 . . ?
 H43C C43A H43D 108.2 . . ?
 C45 C44 C49 113.5(5) . . ?
 C45 C44 B1 121.6(5) . . ?
 C49 C44 B1 124.9(5) . . ?
 F3 C45 C44 120.2(5) . . ?
 F3 C45 C46 115.7(5) . . ?
 C44 C45 C46 124.0(5) . . ?
 F4 C46 C45 120.6(5) . . ?
 F4 C46 C47 119.4(5) . . ?
 C47 C46 C45 120.0(5) . . ?
 F5 C47 C46 120.9(5) . . ?
 F5 C47 C48 120.5(5) . . ?
 C46 C47 C48 118.6(5) . . ?
 F6 C48 C47 119.3(5) . . ?
 F6 C48 C49 121.0(5) . . ?
 C49 C48 C47 119.7(5) . . ?
 F7 C49 C44 120.4(5) . . ?
 F7 C49 C48 115.4(5) . . ?
 C48 C49 C44 124.2(5) . . ?
 C51 C50 C55 113.1(5) . . ?
 C51 C50 B1 127.2(5) . . ?
 C55 C50 B1 119.7(5) . . ?
 F8 C51 C50 120.5(5) . . ?
 F8 C51 C52 115.2(5) . . ?
 C52 C51 C50 124.2(6) . . ?
 F9 C52 C51 120.5(6) . . ?
 F9 C52 C53 119.9(6) . . ?
 C53 C52 C51 119.6(6) . . ?
 F10 C53 C52 120.2(6) . . ?
 F10 C53 C54 120.6(6) . . ?
 C52 C53 C54 119.2(6) . . ?
 F11 C54 C53 119.6(6) . . ?
 F11 C54 C55 121.1(6) . . ?
 C55 C54 C53 119.3(6) . . ?
 F12 C55 C50 118.9(5) . . ?
 F12 C55 C54 116.5(5) . . ?
 C54 C55 C50 124.6(6) . . ?
 C57 C56 B1 124.6(5) . . ?
 C61 C56 C57 112.4(5) . . ?
 C61 C56 B1 123.0(5) . . ?
 F13 C57 C56 119.9(5) . . ?
 F13 C57 C58 115.5(6) . . ?
 C58 C57 C56 124.6(6) . . ?
 F14 C58 C57 120.0(7) . . ?
 C59 C58 F14 120.1(6) . . ?
 C59 C58 C57 120.0(7) . . ?
 F15 C59 C60 119.9(7) . . ?
 C58 C59 F15 120.9(7) . . ?
 C58 C59 C60 119.2(6) . . ?
 F16 C60 C59 120.2(6) . . ?
 F16 C60 C61 120.4(7) . . ?
 C59 C60 C61 119.4(6) . . ?
 F17 C61 C56 119.3(5) . . ?
 F17 C61 C60 116.2(6) . . ?
 C56 C61 C60 124.4(6) . . ?
 F18 B1 C44 108.6(5) . . ?
 F18 B1 C50 108.2(5) . . ?
 F18 B1 C56 108.0(5) . . ?
 C50 B1 C44 111.3(5) . . ?
 C56 B1 C44 110.7(5) . . ?
 C56 B1 C50 110.0(5) . . ?
 Cl1S C1S H1SA 109.1 . . ?
 Cl1S C1S H1SB 109.1 . . ?
 Cl2S C1S Cl1S 112.5(5) . . ?
 Cl2S C1S H1SA 109.1 . . ?
 Cl2S C1S H1SB 109.1 . . ?
 H1SA C1S H1SB 107.8 . . ?
 Cl3S C2S Cl4S 122.5(12) . . ?
 Cl3S C2S H2SA 106.7 . . ?
 Cl3S C2S H2SB 106.7 . . ?
 Cl4S C2S H2SA 106.7 . . ?
 Cl4S C2S H2SB 106.7 . . ?
 H2SA C2S H2SB 106.6 . . ?

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
 Pt1 P1 C6 C1 -1.2(5) . . . . ?
 Pt1 P1 C6 C5 178.7(4) . . . . ?
 Pt1 P1 C13 C14 -95.7(4) . . . . ?
 Pt1 P1 C13 C18 79.7(5) . . . . ?
 Pt1 P1 C19 C20 -154.2(4) . . . . ?
 Pt1 P1 C19 C24 32.4(5) . . . . ?
 Pt1 P2 C8 C7 3.3(5) . . . . ?
 Pt1 P2 C8 C9 -178.2(4) . . . . ?
 Pt1 P2 C25 C26 -83.2(5) . . . . ?
 Pt1 P2 C25 C30 94.7(5) . . . . ?
 Pt1 P2 C31 C32 -27.9(5) . . . . ?
 Pt1 P2 C31 C36 158.6(4) . . . . ?
 Sb1 C1 C2 C3 176.6(4) . . . . ?
 Sb1 C1 C6 P1 2.2(6) . . . . ?
 Sb1 C1 C6 C5 -177.7(4) . . . . ?
 Sb1 C7 C8 P2 -2.5(6) . . . . ?
 Sb1 C7 C8 C9 178.9(4) . . . . ?
 Sb1 C7 C12 C11 -178.4(4) . . . . ?
 P1 C13 C14 C15 176.1(5) . . . . ?
 P1 C13 C18 C17 -176.3(4) . . . . ?
 P1 C19 C20 C21 -173.0(4) . . . . ?
 P1 C19 C24 C23 172.3(4) . . . . ?
 P2 C8 C9 C10 -179.5(4) . . . . ?
 P2 C25 C26 C27 178.7(5) . . . . ?
 P2 C25 C30 C29 -179.1(6) . . . . ?
 P2 C31 C32 C33 -172.0(4) . . . . ?
 P2 C31 C36 C35 172.2(4) . . . . ?
 C1 C2 C3 C4 -0.6(8) . . . . ?
 C2 C1 C6 P1 177.4(4) . . . . ?
 C2 C1 C6 C5 -2.4(8) . . . . ?
 C2 C3 C4 C5 -0.1(8) . . . . ?
 C3 C4 C5 C6 -0.5(8) . . . . ?
 C4 C5 C6 P1 -178.1(4) . . . . ?
 C4 C5 C6 C1 1.8(8) . . . . ?
 C6 P1 C13 C14 28.4(5) . . . . ?
 C6 P1 C13 C18 -156.2(4) . . . . ?
 C6 P1 C19 C20 81.2(5) . . . . ?
 C6 P1 C19 C24 -92.2(5) . . . . ?
 C6 C1 C2 C3 1.8(8) . . . . ?
 C7 C8 C9 C10 -0.9(8) . . . . ?
 C8 P2 C25 C26 152.0(5) . . . . ?
 C8 P2 C25 C30 -30.1(5) . . . . ?
 C8 P2 C31 C32 97.1(5) . . . . ?
 C8 P2 C31 C36 -76.4(5) . . . . ?
 C8 C7 C12 C11 -2.4(8) . . . . ?
 C8 C9 C10 C11 -0.7(8) . . . . ?
 C9 C10 C11 C12 0.8(8) . . . . ?
 C10 C11 C12 C7 0.7(8) . . . . ?
 C12 C7 C8 P2 -179.0(4) . . . . ?
 C12 C7 C8 C9 2.4(7) . . . . ?
 C13 P1 C6 C1 -123.3(4) . . . . ?
 C13 P1 C6 C5 56.5(5) . . . . ?
 C13 P1 C19 C20 -30.2(5) . . . . ?
 C13 P1 C19 C24 156.4(4) . . . . ?
 C13 C14 C15 C16 0.5(9) . . . . ?
 C14 C13 C18 C17 -1.0(8) . . . . ?
 C14 C15 C16 C17 -1.4(9) . . . . ?
 C15 C16 C17 C18 1.1(9) . . . . ?
 C16 C17 C18 C13 0.1(9) . . . . ?
 C18 C13 C14 C15 0.7(9) . . . . ?
 C19 P1 C6 C1 122.5(5) . . . . ?
 C19 P1 C6 C5 -57.6(5) . . . . ?
 C19 P1 C13 C14 139.3(4) . . . . ?
 C19 P1 C13 C18 -45.4(5) . . . . ?
 C19 C20 C21 C22 1.3(9) . . . . ?
 C20 C19 C24 C23 -1.4(8) . . . . ?
 C20 C21 C22 C23 -2.0(9) . . . . ?
 C21 C22 C23 C24 1.0(9) . . . . ?
 C22 C23 C24 C19 0.7(8) . . . . ?
 C24 C19 C20 C21 0.4(8) . . . . ?
 C25 P2 C8 C7 126.8(4) . . . . ?
 C25 P2 C8 C9 -54.7(5) . . . . ?
 C25 P2 C31 C32 -152.7(4) . . . . ?
 C25 P2 C31 C36 33.7(5) . . . . ?
 C25 C26 C27 C28 0.5(11) . . . . ?
 C26 C25 C30 C29 -1.1(10) . . . . ?
 C26 C27 C28 C29 -1.6(12) . . . . ?
 C27 C28 C29 C30 1.3(12) . . . . ?
 C28 C29 C30 C25 0.0(12) . . . . ?
 C30 C25 C26 C27 0.8(9) . . . . ?
 C31 P2 C8 C7 -121.0(4) . . . . ?
 C31 P2 C8 C9 57.5(5) . . . . ?
 C31 P2 C25 C26 42.1(6) . . . . ?
 C31 P2 C25 C30 -139.9(5) . . . . ?
 C31 C32 C33 C34 0.3(9) . . . . ?
 C32 C31 C36 C35 -1.2(8) . . . . ?
 C32 C33 C34 C35 -2.7(9) . . . . ?
 C33 C34 C35 C36 3.1(9) . . . . ?
 C34 C35 C36 C31 -1.1(9) . . . . ?
 C36 C31 C32 C33 1.7(8) . . . . ?
 N1 C38 C39 C40 179.2(18) . . . . ?
 N1 C38 C43 C42 -178.5(18) . . . . ?
 C38 C39 C40 C41 54.6(15) . . . . ?
 C39 C38 C43 C42 60.3(14) . . . . ?
 C39 C40 C41 C42 -53.3(15) . . . . ?
 C40 C41 C42 C43 55.0(13) . . . . ?
 C41 C42 C43 C38 -56.7(13) . . . . ?
 C43 C38 C39 C40 -58.9(14) . . . . ?
 N1A C38A C39A C40A -179(3) . . . . ?
 N1A C38A C43A C42A -176(3) . . . . ?
 C38A C39A C40A C41A 54(2) . . . . ?
 C39A C38A C43A C42A 61(2) . . . . ?
 C39A C40A C41A C42A -56(2) . . . . ?
 C40A C41A C42A C43A 57(2) . . . . ?
 C41A C42A C43A C38A -59(2) . . . . ?
 C43A C38A C39A C40A -57(2) . . . . ?
 F3 C45 C46 F4 2.7(8) . . . . ?
 F3 C45 C46 C47 -178.1(5) . . . . ?
 F4 C46 C47 F5 -0.4(9) . . . . ?
 F4 C46 C47 C48 179.4(5) . . . . ?
 F5 C47 C48 F6 0.2(8) . . . . ?
 F5 C47 C48 C49 179.6(5) . . . . ?
 F6 C48 C49 F7 -2.4(8) . . . . ?
 F6 C48 C49 C44 179.2(5) . . . . ?
 F8 C51 C52 F9 -1.5(9) . . . . ?
 F8 C51 C52 C53 178.3(6) . . . . ?
 F9 C52 C53 F10 1.9(10) . . . . ?
 F9 C52 C53 C54 179.4(6) . . . . ?
 F10 C53 C54 F11 -1.4(9) . . . . ?
 F10 C53 C54 C55 178.2(6) . . . . ?
 F11 C54 C55 F12 0.2(9) . . . . ?
 F11 C54 C55 C50 178.3(6) . . . . ?
 F13 C57 C58 F14 0.0(9) . . . . ?
 F13 C57 C58 C59 179.8(6) . . . . ?
 F14 C58 C59 F15 -0.6(9) . . . . ?
 F14 C58 C59 C60 177.8(6) . . . . ?
 F15 C59 C60 F16 -1.2(9) . . . . ?
 F15 C59 C60 C61 180.0(6) . . . . ?
 F16 C60 C61 F17 3.7(9) . . . . ?
 F16 C60 C61 C56 -178.7(6) . . . . ?
 C44 C45 C46 F4 -178.9(5) . . . . ?
 C44 C45 C46 C47 0.3(10) . . . . ?
 C45 C44 C49 F7 -177.6(5) . . . . ?
 C45 C44 C49 C48 0.7(9) . . . . ?
 C45 C44 B1 F18 -33.3(7) . . . . ?
 C45 C44 B1 C50 85.7(6) . . . . ?
 C45 C44 B1 C56 -151.6(5) . . . . ?
 C45 C46 C47 F5 -179.7(5) . . . . ?
 C45 C46 C47 C48 0.2(9) . . . . ?
 C46 C47 C48 F6 -179.7(5) . . . . ?
 C46 C47 C48 C49 -0.2(9) . . . . ?
 C47 C48 C49 F7 178.1(5) . . . . ?
 C47 C48 C49 C44 -0.3(9) . . . . ?
 C49 C44 C45 F3 177.6(5) . . . . ?
 C49 C44 C45 C46 -0.8(9) . . . . ?
 C49 C44 B1 F18 147.8(5) . . . . ?
 C49 C44 B1 C50 -93.2(7) . . . . ?
 C49 C44 B1 C56 29.4(8) . . . . ?
 C50 C51 C52 F9 -179.2(6) . . . . ?
 C50 C51 C52 C53 0.6(10) . . . . ?
 C51 C50 C55 F12 179.5(5) . . . . ?
 C51 C50 C55 C54 1.5(9) . . . . ?
 C51 C50 B1 F18 131.6(6) . . . . ?
 C51 C50 B1 C44 12.4(8) . . . . ?
 C51 C50 B1 C56 -110.7(6) . . . . ?
 C51 C52 C53 F10 -177.9(6) . . . . ?
 C51 C52 C53 C54 -0.4(10) . . . . ?
 C52 C53 C54 F11 -178.9(6) . . . . ?
 C52 C53 C54 C55 0.7(10) . . . . ?
 C53 C54 C55 F12 -179.4(5) . . . . ?
 C53 C54 C55 C50 -1.4(10) . . . . ?
 C55 C50 C51 F8 -178.7(5) . . . . ?
 C55 C50 C51 C52 -1.1(9) . . . . ?
 C55 C50 B1 F18 -50.4(7) . . . . ?
 C55 C50 B1 C44 -169.6(5) . . . . ?
 C55 C50 B1 C56 67.4(7) . . . . ?
 C56 C57 C58 F14 -179.0(5) . . . . ?
 C56 C57 C58 C59 0.9(10) . . . . ?
 C57 C56 C61 F17 176.2(5) . . . . ?
 C57 C56 C61 C60 -1.3(8) . . . . ?
 C57 C56 B1 F18 147.5(5) . . . . ?
 C57 C56 B1 C44 -93.8(7) . . . . ?
 C57 C56 B1 C50 29.6(8) . . . . ?
 C57 C58 C59 F15 179.6(6) . . . . ?
 C57 C58 C59 C60 -2.1(10) . . . . ?
 C58 C59 C60 F16 -179.6(6) . . . . ?
 C58 C59 C60 C61 1.6(10) . . . . ?
 C59 C60 C61 F17 -177.4(5) . . . . ?
 C59 C60 C61 C56 0.2(10) . . . . ?
 C61 C56 C57 F13 -178.1(5) . . . . ?
 C61 C56 C57 C58 0.8(9) . . . . ?
 C61 C56 B1 F18 -33.3(7) . . . . ?
 C61 C56 B1 C44 85.4(7) . . . . ?
 C61 C56 B1 C50 -151.2(5) . . . . ?
 B1 C44 C45 F3 -1.5(8) . . . . ?
 B1 C44 C45 C46 -179.8(6) . . . . ?
 B1 C44 C49 F7 1.4(9) . . . . ?
 B1 C44 C49 C48 179.7(5) . . . . ?
 B1 C50 C51 F8 -0.6(9) . . . . ?
 B1 C50 C51 C52 177.0(6) . . . . ?
 B1 C50 C55 F12 1.2(8) . . . . ?
 B1 C50 C55 C54 -176.8(6) . . . . ?
 B1 C56 C57 F13 1.1(9) . . . . ?
 B1 C56 C57 C58 -180.0(6) . . . . ?
 B1 C56 C61 F17 -3.0(8) . . . . ?
 B1 C56 C61 C60 179.5(6) . . . . ?

_shelx_SHELXL_version_number      '2014/7'
_olex2_submission_special_instructions 'No special instructions were received'





