# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_Pt1
_database_code_depnum_ccdc_archive 'CCDC 1833001'
_audit_update_record             
;
2018-03-27 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C41 H32 N P2 Pt, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C43 H34 Cl2 F3 N O3 P2 Pt S'
_chemical_formula_weight         1029.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   9.3598(13)
_cell_length_b                   14.568(2)
_cell_length_c                   29.931(4)
_cell_angle_alpha                97.237(5)
_cell_angle_beta                 93.441(5)
_cell_angle_gamma                94.101(5)
_cell_volume                     4028.3(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9967
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      26.89

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_F_000             2032
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.649
_exptl_crystal_size_mid          0.125
_exptl_crystal_size_min          0.118
_exptl_absorpt_coefficient_mu    3.803
_shelx_estimated_absorpt_T_min   0.192
_shelx_estimated_absorpt_T_max   0.662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.192
_exptl_absorpt_correction_T_max  0.662
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'


_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_device       
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_detector_area_resol_mean 16 # 8 for binned mode
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_reflns_number            128086
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         0.687
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             15837
_reflns_number_gt                13747
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_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)+(0.0214P)²+19.8695P] 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         15837
_refine_ls_number_parameters     1034
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0342
_refine_ls_wR_factor_ref         0.0758
_refine_ls_wR_factor_gt          0.0728
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.005
_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
C1 C -0.1196(4) 0.0377(3) 0.93456(14) 0.0159(8) Uani 1 1 d . . . . .
C2 C -0.2112(5) -0.0396(3) 0.91681(16) 0.0234(10) Uani 1 1 d . . . . .
H2 H -0.2062 -0.0649 0.8861 0.028 Uiso 1 1 calc R U . . .
C3 C -0.3092(5) -0.0807(3) 0.94252(16) 0.0255(10) Uani 1 1 d . . . . .
H3 H -0.3705 -0.1332 0.9294 0.031 Uiso 1 1 calc R U . . .
C4 C -0.3181(5) -0.0455(4) 0.98721(17) 0.0290(11) Uani 1 1 d . . . . .
H4 H -0.3865 -0.0728 1.0048 0.035 Uiso 1 1 calc R U . . .
C5 C -0.2265(5) 0.0299(3) 1.00613(16) 0.0253(10) Uani 1 1 d . . . . .
H5 H -0.2306 0.0535 1.0370 0.030 Uiso 1 1 calc R U . . .
C6 C -0.1277(5) 0.0716(3) 0.98008(15) 0.0192(9) Uani 1 1 d . . . . .
C7 C -0.0299(5) 0.1530(3) 0.99799(14) 0.0184(9) Uani 1 1 d . . . . .
C8 C -0.0151(5) 0.1922(4) 1.04339(16) 0.0284(11) Uani 1 1 d . . . . .
H8 H -0.0719 0.1668 1.0648 0.034 Uiso 1 1 calc R U . . .
C9 C 0.0818(6) 0.2678(4) 1.05694(17) 0.0327(12) Uani 1 1 d . . . . .
H9 H 0.0917 0.2946 1.0877 0.039 Uiso 1 1 calc R U . . .
C10 C 0.1646(6) 0.3043(4) 1.02576(17) 0.0311(11) Uani 1 1 d . . . . .
H10 H 0.2319 0.3563 1.0346 0.037 Uiso 1 1 calc R U . . .
C11 C 0.1469(5) 0.2632(3) 0.98140(16) 0.0276(11) Uani 1 1 d . . . . .
H11 H 0.2035 0.2882 0.9598 0.033 Uiso 1 1 calc R U . . .
C12 C 0.0988(5) 0.3280(3) 0.86532(15) 0.0194(9) Uani 1 1 d . . . . .
C13 C -0.0308(5) 0.3293(3) 0.83960(16) 0.0236(10) Uani 1 1 d . . . . .
H13 H -0.0728 0.2737 0.8223 0.028 Uiso 1 1 calc R U . . .
C14 C -0.0988(5) 0.4104(3) 0.83897(18) 0.0284(11) Uani 1 1 d . . . . .
H14 H -0.1869 0.4104 0.8215 0.034 Uiso 1 1 calc R U . . .
C15 C -0.0379(5) 0.4914(4) 0.8639(2) 0.0353(13) Uani 1 1 d . . . . .
H15 H -0.0851 0.5470 0.8639 0.042 Uiso 1 1 calc R U . . .
C16 C 0.0914(6) 0.4921(4) 0.8890(2) 0.0410(14) Uani 1 1 d . . . . .
H16 H 0.1338 0.5484 0.9054 0.049 Uiso 1 1 calc R U . . .
C17 C 0.1591(5) 0.4106(3) 0.89012(19) 0.0316(12) Uani 1 1 d . . . . .
H17 H 0.2469 0.4111 0.9079 0.038 Uiso 1 1 calc R U . . .
C18 C 0.3579(4) 0.2330(3) 0.88738(14) 0.0174(9) Uani 1 1 d . . . . .
C19 C 0.4112(5) 0.1669(3) 0.91248(14) 0.0204(9) Uani 1 1 d . . . . .
H19 H 0.3484 0.1177 0.9199 0.024 Uiso 1 1 calc R U . . .
C20 C 0.5560(5) 0.1729(3) 0.92662(16) 0.0254(10) Uani 1 1 d . . . . .
H20 H 0.5923 0.1272 0.9433 0.031 Uiso 1 1 calc R U . . .
C21 C 0.6474(5) 0.2450(3) 0.91661(16) 0.0263(11) Uani 1 1 d . . . . .
H21 H 0.7461 0.2493 0.9268 0.032 Uiso 1 1 calc R U . . .
C22 C 0.5956(5) 0.3112(3) 0.89166(17) 0.0273(11) Uani 1 1 d . . . . .
H22 H 0.6587 0.3607 0.8848 0.033 Uiso 1 1 calc R U . . .
C23 C 0.4508(5) 0.3049(3) 0.87660(16) 0.0245(10) Uani 1 1 d . . . . .
H23 H 0.4156 0.3495 0.8590 0.029 Uiso 1 1 calc R U . . .
C24 C 0.1726(4) 0.1669(3) 0.80788(14) 0.0158(8) Uani 1 1 d . . . . .
C25 C 0.2530(5) 0.2104(3) 0.77752(16) 0.0233(10) Uani 1 1 d . . . . .
H25 H 0.3070 0.2680 0.7872 0.028 Uiso 1 1 calc R U . . .
C26 C 0.2536(5) 0.1694(4) 0.73347(16) 0.0276(11) Uani 1 1 d . . . . .
H26 H 0.3094 0.1986 0.7130 0.033 Uiso 1 1 calc R U . . .
C27 C 0.1735(5) 0.0859(3) 0.71870(16) 0.0276(11) Uani 1 1 d . . . . .
H27 H 0.1732 0.0588 0.6881 0.033 Uiso 1 1 calc R U . . .
C28 C 0.0944(5) 0.0423(3) 0.74847(15) 0.0249(10) Uani 1 1 d . . . . .
H28 H 0.0407 -0.0153 0.7385 0.030 Uiso 1 1 calc R U . . .
C29 C 0.0932(4) 0.0828(3) 0.79342(14) 0.0174(9) Uani 1 1 d . . . . .
C30 C 0.0678(5) -0.0832(3) 0.83550(15) 0.0188(9) Uani 1 1 d . . . . .
C31 C -0.0103(5) -0.1692(3) 0.82820(16) 0.0239(10) Uani 1 1 d . . . . .
H31 H -0.1110 -0.1728 0.8210 0.029 Uiso 1 1 calc R U . . .
C32 C 0.0584(6) -0.2498(3) 0.83145(17) 0.0297(11) Uani 1 1 d . . . . .
H32 H 0.0047 -0.3084 0.8259 0.036 Uiso 1 1 calc R U . . .
C33 C 0.2044(6) -0.2454(4) 0.84276(18) 0.0348(12) Uani 1 1 d . . . . .
H33 H 0.2506 -0.3006 0.8455 0.042 Uiso 1 1 calc R U . . .
C34 C 0.2827(6) -0.1602(4) 0.85008(19) 0.0373(13) Uani 1 1 d . . . . .
H34 H 0.3830 -0.1570 0.8578 0.045 Uiso 1 1 calc R U . . .
C35 C 0.2160(5) -0.0795(3) 0.84625(17) 0.0276(11) Uani 1 1 d . . . . .
H35 H 0.2710 -0.0213 0.8509 0.033 Uiso 1 1 calc R U . . .
C36 C -0.1910(4) 0.0088(3) 0.80861(14) 0.0170(9) Uani 1 1 d . . . . .
C37 C -0.2940(5) 0.0648(3) 0.82710(16) 0.0215(9) Uani 1 1 d . . . . .
H37 H -0.2685 0.1079 0.8534 0.026 Uiso 1 1 calc R U . . .
C38 C -0.4327(5) 0.0579(3) 0.80734(17) 0.0267(11) Uani 1 1 d . . . . .
H38 H -0.5019 0.0960 0.8202 0.032 Uiso 1 1 calc R U . . .
C39 C -0.4707(5) -0.0039(4) 0.76905(17) 0.0311(11) Uani 1 1 d . . . . .
H39 H -0.5662 -0.0089 0.7558 0.037 Uiso 1 1 calc R U . . .
C40 C -0.3702(5) -0.0589(3) 0.74985(17) 0.0287(11) Uani 1 1 d . . . . .
H40 H -0.3962 -0.1004 0.7230 0.034 Uiso 1 1 calc R U . . .
C41 C -0.2312(5) -0.0536(3) 0.76965(16) 0.0228(10) Uani 1 1 d . . . . .
H41 H -0.1632 -0.0925 0.7567 0.027 Uiso 1 1 calc R U . . .
C42 C 0.3248(5) 0.4642(4) 0.57487(16) 0.0289(12) Uani 1 1 d . . . . .
C43 C 0.2584(6) 0.5235(4) 0.60468(18) 0.0339(12) Uani 1 1 d . . . . .
H43 H 0.2783 0.5229 0.6361 0.041 Uiso 1 1 calc R U . . .
C44 C 0.1629(7) 0.5847(4) 0.5905(2) 0.0452(15) Uani 1 1 d . . . . .
H44 H 0.1205 0.6258 0.6121 0.054 Uiso 1 1 calc R U . . .
C45 C 0.1298(8) 0.5857(4) 0.5452(2) 0.0573(19) Uani 1 1 d . . . . .
H45 H 0.0630 0.6262 0.5352 0.069 Uiso 1 1 calc R U . . .
C46 C 0.1948(8) 0.5272(5) 0.5148(2) 0.0554(19) Uani 1 1 d . . . . .
H46 H 0.1731 0.5278 0.4834 0.067 Uiso 1 1 calc R U . . .
C47 C 0.2931(6) 0.4660(4) 0.52880(18) 0.0405(14) Uani 1 1 d . . . . .
C48 C 0.3672(6) 0.4041(4) 0.49769(18) 0.0433(16) Uani 1 1 d . . . . .
C49 C 0.3539(8) 0.4010(5) 0.4511(2) 0.060(2) Uani 1 1 d . . . . .
H49 H 0.2905 0.4394 0.4376 0.072 Uiso 1 1 calc R U . . .
C50 C 0.4310(9) 0.3436(6) 0.4247(2) 0.070(3) Uani 1 1 d . . . . .
H50 H 0.4199 0.3406 0.3928 0.085 Uiso 1 1 calc R U . . .
C51 C 0.5249(8) 0.2898(7) 0.4440(2) 0.075(3) Uani 1 1 d . . . . .
H51 H 0.5823 0.2512 0.4258 0.090 Uiso 1 1 calc R U . . .
C52 C 0.5347(7) 0.2929(6) 0.4909(2) 0.068(2) Uani 1 1 d . . . . .
H52 H 0.5992 0.2553 0.5044 0.081 Uiso 1 1 calc R U . . .
C53 C 0.7636(5) 0.2304(4) 0.57794(16) 0.0281(11) Uani 1 1 d . . . . .
C54 C 0.8380(5) 0.3144(4) 0.57307(16) 0.0296(11) Uani 1 1 d . . . . .
H54 H 0.7936 0.3707 0.5796 0.035 Uiso 1 1 calc R U . . .
C55 C 0.9765(6) 0.3168(4) 0.55874(17) 0.0357(13) Uani 1 1 d . . . . .
H55 H 1.0269 0.3743 0.5556 0.043 Uiso 1 1 calc R U . . .
C56 C 1.0398(6) 0.2349(5) 0.5491(2) 0.0453(15) Uani 1 1 d . . . . .
H56 H 1.1344 0.2359 0.5392 0.054 Uiso 1 1 calc R U . . .
C57 C 0.9673(8) 0.1517(5) 0.5538(3) 0.0601(19) Uani 1 1 d . . . . .
H57 H 1.0121 0.0956 0.5470 0.072 Uiso 1 1 calc R U . . .
C58 C 0.8293(7) 0.1488(4) 0.5684(2) 0.0479(16) Uani 1 1 d . . . . .
H58 H 0.7801 0.0910 0.5718 0.057 Uiso 1 1 calc R U . . .
C59 C 0.4958(7) 0.1192(3) 0.5839(2) 0.031(2) Uani 0.634(8) 1 d G . P A 1
C60 C 0.3862(7) 0.1135(4) 0.5500(3) 0.053(3) Uani 0.634(8) 1 d G U P A 1
H60 H 0.3645 0.1673 0.5369 0.064 Uiso 0.634(8) 1 calc R U P A 1
C61 C 0.3083(7) 0.0291(5) 0.5354(3) 0.065(4) Uani 0.634(8) 1 d G U P A 1
H61 H 0.2334 0.0253 0.5122 0.078 Uiso 0.634(8) 1 calc R U P A 1
C62 C 0.3401(7) -0.0496(4) 0.5547(3) 0.062(3) Uani 0.634(8) 1 d G U P A 1
H62 H 0.2869 -0.1073 0.5447 0.074 Uiso 0.634(8) 1 calc R U P A 1
C63 C 0.4497(8) -0.0440(4) 0.5886(2) 0.065(3) Uani 0.634(8) 1 d G . P A 1
H63 H 0.4714 -0.0978 0.6018 0.078 Uiso 0.634(8) 1 calc R U P A 1
C64 C 0.5276(7) 0.0404(4) 0.6032(2) 0.055(3) Uani 0.634(8) 1 d G . P A 1
H64 H 0.6025 0.0443 0.6264 0.065 Uiso 0.634(8) 1 calc R U P A 1
C159 C 0.4496(14) 0.1039(8) 0.5326(3) 0.050(5) Uani 0.366(8) 1 d G U P A 2
H159 H 0.5014 0.1357 0.5121 0.060 Uiso 0.366(8) 1 calc R U P A 2
C160 C 0.4658(14) 0.1353(8) 0.5786(4) 0.031(2) Uani 0.366(8) 1 d G U P A 2
C164 C 0.3900(15) 0.0889(9) 0.6087(3) 0.059(5) Uani 0.366(8) 1 d G U P A 2
H164 H 0.4011 0.1103 0.6401 0.071 Uiso 0.366(8) 1 calc R U P A 2
C161 C 0.2979(14) 0.0110(9) 0.5927(3) 0.073(6) Uani 0.366(8) 1 d G U P A 2
H161 H 0.2461 -0.0208 0.6133 0.087 Uiso 0.366(8) 1 calc R U P A 2
C162 C 0.2817(12) -0.0205(7) 0.5468(3) 0.037(4) Uani 0.366(8) 1 d G U P A 2
H162 H 0.2188 -0.0737 0.5359 0.044 Uiso 0.366(8) 1 calc R U P A 2
C163 C 0.3575(13) 0.0260(8) 0.5167(3) 0.041(4) Uani 0.366(8) 1 d G U P A 2
H163 H 0.3464 0.0045 0.4853 0.050 Uiso 0.366(8) 1 calc R U P A 2
C65 C 0.6285(5) 0.2390(3) 0.66091(16) 0.0247(10) Uani 1 1 d . . . . .
C66 C 0.7155(7) 0.1776(4) 0.6800(2) 0.0408(14) Uani 1 1 d . . . . .
H66 H 0.7604 0.1327 0.6611 0.049 Uiso 1 1 calc R U . . .
C67 C 0.7360(6) 0.1826(4) 0.7263(2) 0.0412(14) Uani 1 1 d . . . . .
H67 H 0.7929 0.1398 0.7392 0.049 Uiso 1 1 calc R U . . .
C68 C 0.6742(5) 0.2493(3) 0.75398(17) 0.0275(11) Uani 1 1 d . . . . .
H68 H 0.6866 0.2511 0.7858 0.033 Uiso 1 1 calc R U . . .
C69 C 0.5944(5) 0.3136(3) 0.73593(15) 0.0224(10) Uani 1 1 d . . . . .
H69 H 0.5555 0.3609 0.7552 0.027 Uiso 1 1 calc R U . . .
C70 C 0.5710(5) 0.3086(3) 0.68910(15) 0.0195(9) Uani 1 1 d . . . . .
C71 C 0.5933(5) 0.5002(3) 0.67973(15) 0.0216(10) Uani 1 1 d . . . . .
C72 C 0.5459(6) 0.5873(3) 0.69183(17) 0.0303(11) Uani 1 1 d . . . . .
H72 H 0.4468 0.5940 0.6953 0.036 Uiso 1 1 calc R U . . .
C73 C 0.6439(7) 0.6646(4) 0.6989(2) 0.0407(14) Uani 1 1 d . . . . .
H73 H 0.6108 0.7241 0.7072 0.049 Uiso 1 1 calc R U . . .
C74 C 0.7876(6) 0.6570(4) 0.6941(2) 0.0444(15) Uani 1 1 d . . . . .
H74 H 0.8533 0.7107 0.6988 0.053 Uiso 1 1 calc R U . . .
C75 C 0.8354(6) 0.5701(4) 0.6825(2) 0.0470(15) Uani 1 1 d . . . . .
H75 H 0.9348 0.5638 0.6796 0.056 Uiso 1 1 calc R U . . .
C76 C 0.7396(5) 0.4929(4) 0.6753(2) 0.0366(13) Uani 1 1 d . . . . .
H76 H 0.7735 0.4336 0.6670 0.044 Uiso 1 1 calc R U . . .
C77 C 0.3096(5) 0.4016(3) 0.69111(16) 0.0229(10) Uani 1 1 d . . . . .
C78 C 0.1871(5) 0.3520(4) 0.66826(17) 0.0279(11) Uani 1 1 d . . . . .
H78 H 0.1924 0.3205 0.6387 0.033 Uiso 1 1 calc R U . . .
C79 C 0.0587(6) 0.3488(4) 0.6887(2) 0.0415(14) Uani 1 1 d . . . . .
H79 H -0.0238 0.3148 0.6732 0.050 Uiso 1 1 calc R U . . .
C80 C 0.0497(5) 0.3945(5) 0.7314(2) 0.0435(15) Uani 1 1 d . . . . .
H80 H -0.0388 0.3925 0.7453 0.052 Uiso 1 1 calc R U . . .
C81 C 0.1717(6) 0.4439(4) 0.75413(18) 0.0351(12) Uani 1 1 d . . . . .
H81 H 0.1656 0.4754 0.7837 0.042 Uiso 1 1 calc R U . . .
C82 C 0.3007(5) 0.4475(3) 0.73428(16) 0.0263(10) Uani 1 1 d . . . . .
H82 H 0.3830 0.4813 0.7501 0.032 Uiso 1 1 calc R U . . .
C83 C -0.4012(6) -0.3387(4) 0.82832(19) 0.0350(12) Uani 1 1 d . . . . .
C84 C 0.9084(8) -0.1644(6) 0.5910(2) 0.065(2) Uani 1 1 d . . . . .
C85 C 0.7787(8) 0.2095(5) 0.2811(2) 0.0619(19) Uani 1 1 d . . . . .
H85A H 0.8723 0.1833 0.2859 0.074 Uiso 1 1 calc R U . . .
H85B H 0.7337 0.1791 0.2516 0.074 Uiso 1 1 calc R U . . .
C86 C 0.5729(8) 0.3670(5) 0.0218(2) 0.0547(17) Uani 1 1 d . . . . .
H86A H 0.5225 0.4012 0.0460 0.066 Uiso 1 1 calc R U . . .
H86B H 0.5011 0.3463 -0.0038 0.066 Uiso 1 1 calc R U . . .
N1 N 0.0526(4) 0.1890(3) 0.96726(12) 0.0217(8) Uani 1 1 d . . . . .
N2 N 0.4557(5) 0.3473(4) 0.51726(14) 0.0442(13) Uani 1 1 d . . . . .
O1 O -0.4323(4) -0.5160(3) 0.81780(13) 0.0413(10) Uani 1 1 d . . . . .
O2 O -0.5994(4) -0.4314(3) 0.86243(15) 0.0477(11) Uani 1 1 d . . . . .
O3 O -0.3528(4) -0.4368(3) 0.89182(12) 0.0417(10) Uani 1 1 d . . . . .
O4 O 0.9409(5) -0.1328(3) 0.67693(15) 0.0576(12) Uani 1 1 d . . . . .
O5 O 0.7011(5) -0.1408(4) 0.64176(16) 0.0649(14) Uani 1 1 d . . . . .
O6 O 0.8712(7) -0.0087(3) 0.6374(2) 0.0903(19) Uani 1 1 d . . . . .
F1 F -0.4940(4) -0.3257(2) 0.79450(11) 0.0477(8) Uani 1 1 d . . . . .
F2 F -0.2715(4) -0.3419(3) 0.81229(14) 0.0619(11) Uani 1 1 d . . . . .
F3 F -0.3955(4) -0.2621(2) 0.85840(14) 0.0596(10) Uani 1 1 d . . . . .
F4 F 1.0427(6) -0.1379(5) 0.58512(19) 0.123(2) Uani 1 1 d . . . . .
F5 F 0.8278(7) -0.1502(6) 0.55525(16) 0.131(3) Uani 1 1 d . . . . .
F6 F 0.9026(5) -0.2556(4) 0.59204(18) 0.0986(18) Uani 1 1 d . . . . .
P1 P 0.16887(11) 0.21540(7) 0.86703(4) 0.0156(2) Uani 1 1 d . . . . .
P2 P -0.00887(11) 0.02825(7) 0.83437(4) 0.0146(2) Uani 1 1 d . . . . .
P3 P 0.58805(14) 0.23614(9) 0.60038(4) 0.0287(3) Uani 1 1 d . . . . .
P4 P 0.47554(12) 0.39513(8) 0.66305(4) 0.0189(2) Uani 1 1 d . . . . .
S1 S -0.45276(13) -0.44281(8) 0.85307(4) 0.0250(2) Uani 1 1 d . . . . .
S2 S 0.84726(18) -0.10380(10) 0.64228(5) 0.0443(4) Uani 1 1 d . . . . .
Cl1 Cl 0.6685(2) 0.18275(15) 0.32394(7) 0.0717(5) Uani 1 1 d . . . . .
Cl2 Cl 0.80871(17) 0.32748(12) 0.27865(6) 0.0534(4) Uani 1 1 d . . . . .
Cl3 Cl 0.6325(4) 0.2722(2) 0.04102(9) 0.1164(10) Uani 1 1 d . . . . .
Cl4 Cl 0.7004(4) 0.4431(3) 0.00412(11) 0.1588(16) Uani 1 1 d . . . . .
Pt1 Pt 0.02301(2) 0.11679(2) 0.90185(2) 0.01452(5) Uani 1 1 d . . . . .
Pt2 Pt 0.46025(2) 0.36109(2) 0.58789(2) 0.02600(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.394(6) . ?
C1 C6 1.398(6) . ?
C1 Pt1 2.071(4) . ?
C2 C3 1.383(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.469(6) . ?
C7 N1 1.366(6) . ?
C7 C8 1.401(6) . ?
C8 C9 1.378(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(7) . ?
C10 H10 0.9500 . ?
C11 N1 1.353(6) . ?
C11 H11 0.9500 . ?
C12 C17 1.395(7) . ?
C12 C13 1.400(6) . ?
C12 P1 1.815(4) . ?
C13 C14 1.383(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.389(7) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.395(6) . ?
C18 C19 1.396(6) . ?
C18 P1 1.826(4) . ?
C19 C20 1.388(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.381(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.395(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C29 1.392(6) . ?
C24 C25 1.398(6) . ?
C24 P1 1.825(4) . ?
C25 C26 1.378(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.391(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.378(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.401(6) . ?
C28 H28 0.9500 . ?
C29 P2 1.823(4) . ?
C30 C31 1.390(6) . ?
C30 C35 1.401(6) . ?
C30 P2 1.824(4) . ?
C31 C32 1.390(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.383(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(7) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C41 1.400(6) . ?
C36 C37 1.402(6) . ?
C36 P2 1.816(4) . ?
C37 C38 1.386(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.378(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.389(6) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 C43 1.371(8) . ?
C42 C47 1.397(7) . ?
C42 Pt2 2.091(5) . ?
C43 C44 1.393(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.373(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.369(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.407(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.455(9) . ?
C48 N2 1.370(8) . ?
C48 C49 1.388(8) . ?
C49 C50 1.352(11) . ?
C49 H49 0.9500 . ?
C50 C51 1.368(12) . ?
C50 H50 0.9500 . ?
C51 C52 1.395(9) . ?
C51 H51 0.9500 . ?
C52 N2 1.340(8) . ?
C52 H52 0.9500 . ?
C53 C58 1.383(8) . ?
C53 C54 1.392(7) . ?
C53 P3 1.815(5) . ?
C54 C55 1.389(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.375(8) . ?
C55 H55 0.9500 . ?
C56 C57 1.374(9) . ?
C56 H56 0.9500 . ?
C57 C58 1.388(9) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.3900 . ?
C59 C64 1.3900 . ?
C59 P3 1.849(5) . ?
C60 C61 1.3900 . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 H61 0.9500 . ?
C62 C63 1.3900 . ?
C62 H62 0.9500 . ?
C63 C64 1.3900 . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C159 C160 1.3900 . ?
C159 C163 1.3900 . ?
C159 H159 0.9500 . ?
C160 C164 1.3900 . ?
C160 P3 1.822(8) . ?
C164 C161 1.3900 . ?
C164 H164 0.9500 . ?
C161 C162 1.3900 . ?
C161 H161 0.9500 . ?
C162 C163 1.3900 . ?
C162 H162 0.9500 . ?
C163 H163 0.9500 . ?
C65 C70 1.396(6) . ?
C65 C66 1.402(7) . ?
C65 P3 1.823(5) . ?
C66 C67 1.379(8) . ?
C66 H66 0.9500 . ?
C67 C68 1.379(7) . ?
C67 H67 0.9500 . ?
C68 C69 1.380(7) . ?
C68 H68 0.9500 . ?
C69 C70 1.397(6) . ?
C69 H69 0.9500 . ?
C70 P4 1.822(5) . ?
C71 C72 1.385(7) . ?
C71 C76 1.394(7) . ?
C71 P4 1.819(5) . ?
C72 C73 1.387(7) . ?
C72 H72 0.9500 . ?
C73 C74 1.371(8) . ?
C73 H73 0.9500 . ?
C74 C75 1.383(8) . ?
C74 H74 0.9500 . ?
C75 C76 1.374(8) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C82 1.388(7) . ?
C77 C78 1.404(7) . ?
C77 P4 1.812(5) . ?
C78 C79 1.381(7) . ?
C78 H78 0.9500 . ?
C79 C80 1.373(9) . ?
C79 H79 0.9500 . ?
C80 C81 1.397(8) . ?
C80 H80 0.9500 . ?
C81 C82 1.378(7) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 F1 1.334(6) . ?
C83 F2 1.334(6) . ?
C83 F3 1.338(6) . ?
C83 S1 1.818(6) . ?
C84 F4 1.316(8) . ?
C84 F5 1.318(9) . ?
C84 F6 1.330(10) . ?
C84 S2 1.817(7) . ?
C85 Cl2 1.733(7) . ?
C85 Cl1 1.758(7) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 Cl3 1.680(7) . ?
C86 Cl4 1.723(7) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
N1 Pt1 2.095(4) . ?
N2 Pt2 2.096(4) . ?
O1 S1 1.434(4) . ?
O2 S1 1.434(4) . ?
O3 S1 1.436(4) . ?
O4 S2 1.441(5) . ?
O5 S2 1.432(5) . ?
O6 S2 1.414(5) . ?
P1 Pt1 2.2982(11) . ?
P2 Pt1 2.2468(11) . ?
P3 Pt2 2.3051(15) . ?
P4 Pt2 2.2354(12) . ?

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
C2 C1 C6 117.4(4) . . ?
C2 C1 Pt1 128.9(3) . . ?
C6 C1 Pt1 113.5(3) . . ?
C3 C2 C1 122.0(4) . . ?
C3 C2 H2 119.0 . . ?
C1 C2 H2 119.0 . . ?
C4 C3 C2 120.1(5) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 119.4(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 120.5(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 120.6(4) . . ?
C1 C6 C7 116.4(4) . . ?
C5 C6 C7 123.0(4) . . ?
N1 C7 C8 120.1(4) . . ?
N1 C7 C6 115.5(4) . . ?
C8 C7 C6 124.4(4) . . ?
C9 C8 C7 119.9(5) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 119.9(5) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C11 118.3(5) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
N1 C11 C10 123.0(5) . . ?
N1 C11 H11 118.5 . . ?
C10 C11 H11 118.5 . . ?
C17 C12 C13 118.6(4) . . ?
C17 C12 P1 124.7(4) . . ?
C13 C12 P1 116.5(3) . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 119.6(5) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 120.4(5) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C17 120.1(5) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C12 120.2(5) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
C23 C18 C19 119.6(4) . . ?
C23 C18 P1 123.2(3) . . ?
C19 C18 P1 117.0(3) . . ?
C20 C19 C18 120.0(4) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C19 120.3(4) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 120.2(4) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C23 120.0(4) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C18 C23 C22 119.9(4) . . ?
C18 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C29 C24 C25 119.9(4) . . ?
C29 C24 P1 117.7(3) . . ?
C25 C24 P1 122.3(3) . . ?
C26 C25 C24 119.6(4) . . ?
C26 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C25 C26 C27 120.8(4) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 120.0(4) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 120.0(4) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C24 C29 C28 119.8(4) . . ?
C24 C29 P2 118.3(3) . . ?
C28 C29 P2 121.9(3) . . ?
C31 C30 C35 118.9(4) . . ?
C31 C30 P2 125.0(3) . . ?
C35 C30 P2 116.1(3) . . ?
C30 C31 C32 120.2(4) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C33 C32 C31 120.5(5) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 119.6(5) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 120.5(5) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C30 120.3(5) . . ?
C34 C35 H35 119.8 . . ?
C30 C35 H35 119.8 . . ?
C41 C36 C37 118.5(4) . . ?
C41 C36 P2 123.8(3) . . ?
C37 C36 P2 117.5(3) . . ?
C38 C37 C36 120.6(4) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C39 C38 C37 120.2(4) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C40 120.2(4) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C39 C40 C41 120.2(5) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C40 C41 C36 120.3(4) . . ?
C40 C41 H41 119.9 . . ?
C36 C41 H41 119.9 . . ?
C43 C42 C47 117.7(5) . . ?
C43 C42 Pt2 129.2(4) . . ?
C47 C42 Pt2 113.0(4) . . ?
C42 C43 C44 122.3(5) . . ?
C42 C43 H43 118.8 . . ?
C44 C43 H43 118.8 . . ?
C45 C44 C43 120.1(6) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C46 C45 C44 118.7(6) . . ?
C46 C45 H45 120.7 . . ?
C44 C45 H45 120.7 . . ?
C45 C46 C47 121.6(6) . . ?
C45 C46 H46 119.2 . . ?
C47 C46 H46 119.2 . . ?
C42 C47 C46 119.5(6) . . ?
C42 C47 C48 116.9(5) . . ?
C46 C47 C48 123.5(5) . . ?
N2 C48 C49 120.2(7) . . ?
N2 C48 C47 115.6(5) . . ?
C49 C48 C47 124.2(6) . . ?
C50 C49 C48 120.2(8) . . ?
C50 C49 H49 119.9 . . ?
C48 C49 H49 119.9 . . ?
C49 C50 C51 120.1(6) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C50 C51 C52 118.6(7) . . ?
C50 C51 H51 120.7 . . ?
C52 C51 H51 120.7 . . ?
N2 C52 C51 121.9(8) . . ?
N2 C52 H52 119.1 . . ?
C51 C52 H52 119.1 . . ?
C58 C53 C54 119.2(5) . . ?
C58 C53 P3 123.7(4) . . ?
C54 C53 P3 116.9(4) . . ?
C55 C54 C53 120.8(5) . . ?
C55 C54 H54 119.6 . . ?
C53 C54 H54 119.6 . . ?
C56 C55 C54 119.3(5) . . ?
C56 C55 H55 120.4 . . ?
C54 C55 H55 120.4 . . ?
C57 C56 C55 120.4(5) . . ?
C57 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C56 C57 C58 120.6(6) . . ?
C56 C57 H57 119.7 . . ?
C58 C57 H57 119.7 . . ?
C53 C58 C57 119.7(6) . . ?
C53 C58 H58 120.2 . . ?
C57 C58 H58 120.2 . . ?
C60 C59 C64 120.0 . . ?
C60 C59 P3 115.1(4) . . ?
C64 C59 P3 124.9(4) . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 H61 120.0 . . ?
C63 C62 C61 120.0 . . ?
C63 C62 H62 120.0 . . ?
C61 C62 H62 120.0 . . ?
C62 C63 C64 120.0 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 C59 120.0 . . ?
C63 C64 H64 120.0 . . ?
C59 C64 H64 120.0 . . ?
C160 C159 C163 120.0 . . ?
C160 C159 H159 120.0 . . ?
C163 C159 H159 120.0 . . ?
C159 C160 C164 120.0 . . ?
C159 C160 P3 120.8(6) . . ?
C164 C160 P3 119.2(6) . . ?
C161 C164 C160 120.0 . . ?
C161 C164 H164 120.0 . . ?
C160 C164 H164 120.0 . . ?
C164 C161 C162 120.0 . . ?
C164 C161 H161 120.0 . . ?
C162 C161 H161 120.0 . . ?
C163 C162 C161 120.0 . . ?
C163 C162 H162 120.0 . . ?
C161 C162 H162 120.0 . . ?
C162 C163 C159 120.0 . . ?
C162 C163 H163 120.0 . . ?
C159 C163 H163 120.0 . . ?
C70 C65 C66 119.3(5) . . ?
C70 C65 P3 116.7(4) . . ?
C66 C65 P3 124.0(4) . . ?
C67 C66 C65 120.1(5) . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C68 C67 C66 120.2(5) . . ?
C68 C67 H67 119.9 . . ?
C66 C67 H67 119.9 . . ?
C67 C68 C69 120.7(5) . . ?
C67 C68 H68 119.6 . . ?
C69 C68 H68 119.6 . . ?
C68 C69 C70 119.7(4) . . ?
C68 C69 H69 120.2 . . ?
C70 C69 H69 120.2 . . ?
C65 C70 C69 119.9(4) . . ?
C65 C70 P4 118.2(3) . . ?
C69 C70 P4 121.8(3) . . ?
C72 C71 C76 118.6(5) . . ?
C72 C71 P4 124.4(4) . . ?
C76 C71 P4 116.7(4) . . ?
C71 C72 C73 119.7(5) . . ?
C71 C72 H72 120.2 . . ?
C73 C72 H72 120.2 . . ?
C74 C73 C72 121.4(5) . . ?
C74 C73 H73 119.3 . . ?
C72 C73 H73 119.3 . . ?
C73 C74 C75 119.0(5) . . ?
C73 C74 H74 120.5 . . ?
C75 C74 H74 120.5 . . ?
C76 C75 C74 120.2(5) . . ?
C76 C75 H75 119.9 . . ?
C74 C75 H75 119.9 . . ?
C75 C76 C71 121.0(5) . . ?
C75 C76 H76 119.5 . . ?
C71 C76 H76 119.5 . . ?
C82 C77 C78 119.5(4) . . ?
C82 C77 P4 123.6(4) . . ?
C78 C77 P4 116.8(4) . . ?
C79 C78 C77 120.1(5) . . ?
C79 C78 H78 120.0 . . ?
C77 C78 H78 120.0 . . ?
C80 C79 C78 120.4(5) . . ?
C80 C79 H79 119.8 . . ?
C78 C79 H79 119.8 . . ?
C79 C80 C81 119.5(5) . . ?
C79 C80 H80 120.2 . . ?
C81 C80 H80 120.2 . . ?
C82 C81 C80 120.8(5) . . ?
C82 C81 H81 119.6 . . ?
C80 C81 H81 119.6 . . ?
C81 C82 C77 119.7(5) . . ?
C81 C82 H82 120.2 . . ?
C77 C82 H82 120.2 . . ?
F1 C83 F2 107.7(5) . . ?
F1 C83 F3 106.5(4) . . ?
F2 C83 F3 106.5(5) . . ?
F1 C83 S1 112.0(4) . . ?
F2 C83 S1 111.7(4) . . ?
F3 C83 S1 112.1(4) . . ?
F4 C84 F5 108.5(7) . . ?
F4 C84 F6 106.6(7) . . ?
F5 C84 F6 107.3(7) . . ?
F4 C84 S2 111.8(6) . . ?
F5 C84 S2 111.0(6) . . ?
F6 C84 S2 111.5(5) . . ?
Cl2 C85 Cl1 113.7(4) . . ?
Cl2 C85 H85A 108.8 . . ?
Cl1 C85 H85A 108.8 . . ?
Cl2 C85 H85B 108.8 . . ?
Cl1 C85 H85B 108.8 . . ?
H85A C85 H85B 107.7 . . ?
Cl3 C86 Cl4 116.5(5) . . ?
Cl3 C86 H86A 108.2 . . ?
Cl4 C86 H86A 108.2 . . ?
Cl3 C86 H86B 108.2 . . ?
Cl4 C86 H86B 108.2 . . ?
H86A C86 H86B 107.3 . . ?
C11 N1 C7 118.9(4) . . ?
C11 N1 Pt1 126.6(3) . . ?
C7 N1 Pt1 114.5(3) . . ?
C52 N2 C48 118.8(5) . . ?
C52 N2 Pt2 126.4(5) . . ?
C48 N2 Pt2 114.6(4) . . ?
C12 P1 C24 104.7(2) . . ?
C12 P1 C18 108.7(2) . . ?
C24 P1 C18 104.09(19) . . ?
C12 P1 Pt1 112.69(14) . . ?
C24 P1 Pt1 108.30(14) . . ?
C18 P1 Pt1 117.34(15) . . ?
C36 P2 C29 104.69(19) . . ?
C36 P2 C30 109.3(2) . . ?
C29 P2 C30 103.6(2) . . ?
C36 P2 Pt1 116.96(14) . . ?
C29 P2 Pt1 109.50(14) . . ?
C30 P2 Pt1 111.81(15) . . ?
C53 P3 C160 112.5(4) . . ?
C53 P3 C65 102.9(2) . . ?
C160 P3 C65 110.3(4) . . ?
C53 P3 C59 105.3(3) . . ?
C65 P3 C59 102.7(3) . . ?
C53 P3 Pt2 117.76(18) . . ?
C160 P3 Pt2 104.2(5) . . ?
C65 P3 Pt2 109.11(16) . . ?
C59 P3 Pt2 117.1(2) . . ?
C77 P4 C71 110.6(2) . . ?
C77 P4 C70 104.9(2) . . ?
C71 P4 C70 102.3(2) . . ?
C77 P4 Pt2 117.83(16) . . ?
C71 P4 Pt2 109.65(15) . . ?
C70 P4 Pt2 110.39(15) . . ?
O2 S1 O1 115.1(3) . . ?
O2 S1 O3 115.8(3) . . ?
O1 S1 O3 114.5(2) . . ?
O2 S1 C83 102.9(2) . . ?
O1 S1 C83 103.0(3) . . ?
O3 S1 C83 102.9(3) . . ?
O6 S2 O5 117.2(4) . . ?
O6 S2 O4 113.6(3) . . ?
O5 S2 O4 114.0(3) . . ?
O6 S2 C84 104.3(4) . . ?
O5 S2 C84 102.9(3) . . ?
O4 S2 C84 102.5(3) . . ?
C1 Pt1 N1 80.02(16) . . ?
C1 Pt1 P2 96.40(12) . . ?
N1 Pt1 P2 175.18(11) . . ?
C1 Pt1 P1 174.90(12) . . ?
N1 Pt1 P1 97.65(11) . . ?
P2 Pt1 P1 86.17(4) . . ?
C42 Pt2 N2 79.6(2) . . ?
C42 Pt2 P4 96.27(14) . . ?
N2 Pt2 P4 172.52(15) . . ?
C42 Pt2 P3 173.79(13) . . ?
N2 Pt2 P3 99.36(16) . . ?
P4 Pt2 P3 85.40(4) . . ?

_refine_diff_density_max         2.787
_refine_diff_density_min         -2.689
_refine_diff_density_rms         0.116


_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Pt4
_database_code_depnum_ccdc_archive 'CCDC 1833003'
_audit_update_record             
;
2018-03-27 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H36 N O2 P2 Pt, C F3 O3 S'
_chemical_formula_sum            'C48 H36 F3 N O5 P2 Pt S'
_chemical_formula_weight         1052.87

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'

_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                   12.1407(3)
_cell_length_b                   12.2755(3)
_cell_length_c                   14.8967(4)
_cell_angle_alpha                101.7930(10)
_cell_angle_beta                 99.3060(10)
_cell_angle_gamma                101.6470(10)
_cell_volume                     2080.25(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9122
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      34.97

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_F_000             1044
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.097
_exptl_crystal_size_min          0.066
_exptl_absorpt_coefficient_mu    3.563
_shelx_estimated_absorpt_T_min   0.543
_shelx_estimated_absorpt_T_max   0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.543
_exptl_absorpt_correction_T_max  0799
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'


_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_detector_area_resol_mean 16 # 8 for binned mode
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_reflns_number            98754
_diffrn_reflns_av_unetI/netI     0.0153
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.429
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12134
_reflns_number_gt                11406
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_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)+(0.0391P)²+4.8181P] 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         12134
_refine_ls_number_parameters     557
_refine_ls_number_restraints     157
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0267
_refine_ls_wR_factor_ref         0.0707
_refine_ls_wR_factor_gt          0.0693
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.137
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2520(2) 0.1348(2) 0.39622(19) 0.0176(5) Uani 1 1 d . . . . .
C2 C 0.1364(2) 0.0906(3) 0.3501(2) 0.0223(5) Uani 1 1 d . . . . .
H2 H 0.1181 0.0571 0.2844 0.027 Uiso 1 1 calc R U . . .
C3 C 0.0478(3) 0.0950(3) 0.3986(2) 0.0299(6) Uani 1 1 d . . . . .
H3 H -0.0297 0.0622 0.3660 0.036 Uiso 1 1 calc R U . . .
C4 C 0.0713(3) 0.1462(4) 0.4934(2) 0.0344(7) Uani 1 1 d . . . . .
H4 H 0.0099 0.1509 0.5252 0.041 Uiso 1 1 calc R U . . .
C5 C 0.1850(3) 0.1910(3) 0.5425(2) 0.0271(6) Uani 1 1 d . . . . .
H5 H 0.2019 0.2265 0.6077 0.032 Uiso 1 1 calc R U . . .
C6 C 0.2736(2) 0.1827(2) 0.49422(19) 0.0188(5) Uani 1 1 d . . . . .
C7 C 0.3942(2) 0.2102(2) 0.54380(18) 0.0173(5) Uani 1 1 d . . . . .
C8 C 0.4355(2) 0.2673(2) 0.63976(19) 0.0205(5) Uani 1 1 d . . . . .
H8 H 0.3843 0.2938 0.6761 0.025 Uiso 1 1 calc R U . . .
C9 C 0.5495(2) 0.2845(2) 0.68044(18) 0.0188(5) Uani 1 1 d . . . . .
C10 C 0.6231(2) 0.2326(2) 0.62918(18) 0.0170(5) Uani 1 1 d . . . . .
C11 C 0.7382(2) 0.2320(3) 0.66693(19) 0.0221(5) Uani 1 1 d . . . . .
H11 H 0.7743 0.2763 0.7286 0.026 Uiso 1 1 calc R U . . .
C12 C 0.7978(3) 0.1686(3) 0.6158(2) 0.0234(5) Uani 1 1 d . . . . .
H12 H 0.8747 0.1694 0.6421 0.028 Uiso 1 1 calc R U . . .
C13 C 0.7455(2) 0.1021(2) 0.5244(2) 0.0208(5) Uani 1 1 d . . . . .
H13 H 0.7861 0.0554 0.4904 0.025 Uiso 1 1 calc R U . . .
C14 C 0.6364(2) 0.1042(2) 0.48398(18) 0.0175(5) Uani 1 1 d . . . . .
H14 H 0.6023 0.0601 0.4218 0.021 Uiso 1 1 calc R U . . .
C15 C 0.5747(2) 0.1715(2) 0.53446(17) 0.0154(4) Uani 1 1 d . . . . .
C16 C 0.5868(3) 0.3526(2) 0.78128(19) 0.0219(5) Uani 1 1 d . . . . .
C17 C 0.7372(3) 0.4872(3) 0.8965(2) 0.0274(6) Uani 1 1 d . . . . .
H17A H 0.8156 0.5324 0.9023 0.041 Uiso 1 1 calc R U . . .
H17B H 0.6877 0.5389 0.9126 0.041 Uiso 1 1 calc R U . . .
H17C H 0.7383 0.4363 0.9393 0.041 Uiso 1 1 calc R U . . .
C18 C 0.6728(2) 0.3392(2) 0.40023(18) 0.0196(5) Uani 1 1 d . . . . .
C19 C 0.7844(3) 0.3401(3) 0.4412(2) 0.0260(6) Uani 1 1 d . . . . .
H19 H 0.8155 0.2765 0.4210 0.031 Uiso 1 1 calc R U . . .
C20 C 0.8505(3) 0.4342(3) 0.5117(2) 0.0376(8) Uani 1 1 d . . . . .
H20 H 0.9267 0.4346 0.5398 0.045 Uiso 1 1 calc R U . . .
C21 C 0.8055(4) 0.5274(3) 0.5410(3) 0.0450(10) Uani 1 1 d . . . . .
H21 H 0.8517 0.5925 0.5876 0.054 Uiso 1 1 calc R U . . .
C22 C 0.6933(4) 0.5256(3) 0.5023(3) 0.0408(9) Uani 1 1 d . . . . .
H22 H 0.6617 0.5884 0.5239 0.049 Uiso 1 1 calc R U . . .
C23 C 0.6272(3) 0.4322(3) 0.4322(2) 0.0292(6) Uani 1 1 d . . . . .
H23 H 0.5503 0.4313 0.4056 0.035 Uiso 1 1 calc R U . . .
C24 C 0.6579(2) 0.1228(2) 0.26189(18) 0.0173(5) Uani 1 1 d . . . . .
C25 C 0.6065(3) 0.0051(2) 0.2394(2) 0.0216(5) Uani 1 1 d . . . . .
H25 H 0.5330 -0.0210 0.2525 0.026 Uiso 1 1 calc R U . . .
C26 C 0.6624(3) -0.0741(3) 0.1979(2) 0.0296(6) Uani 1 1 d . . . . .
H26 H 0.6271 -0.1539 0.1826 0.036 Uiso 1 1 calc R U . . .
C27 C 0.7696(3) -0.0359(3) 0.1791(3) 0.0343(7) Uani 1 1 d . . . . .
H27 H 0.8084 -0.0897 0.1517 0.041 Uiso 1 1 calc R U . . .
C28 C 0.8207(3) 0.0806(3) 0.2001(2) 0.0321(7) Uani 1 1 d . . . . .
H28 H 0.8942 0.1060 0.1868 0.039 Uiso 1 1 calc R U . . .
C29 C 0.7654(3) 0.1603(3) 0.2404(2) 0.0245(6) Uani 1 1 d . . . . .
H29 H 0.8001 0.2400 0.2535 0.029 Uiso 1 1 calc R U . . .
C30 C 0.5402(2) 0.2874(2) 0.21259(18) 0.0165(4) Uani 1 1 d . . . . .
C31 C 0.6165(2) 0.3752(2) 0.1914(2) 0.0210(5) Uani 1 1 d . . . . .
H31 H 0.6900 0.4095 0.2314 0.025 Uiso 1 1 calc R U . . .
C32 C 0.5837(3) 0.4120(3) 0.1110(2) 0.0244(6) Uani 1 1 d . . . . .
H32 H 0.6342 0.4732 0.0972 0.029 Uiso 1 1 calc R U . . .
C33 C 0.4779(3) 0.3599(3) 0.0509(2) 0.0239(6) Uani 1 1 d . . . . .
H33 H 0.4586 0.3822 -0.0059 0.029 Uiso 1 1 calc R U . . .
C34 C 0.3998(2) 0.2754(2) 0.07330(19) 0.0206(5) Uani 1 1 d . . . . .
H34 H 0.3263 0.2418 0.0331 0.025 Uiso 1 1 calc R U . . .
C35 C 0.4304(2) 0.2401(2) 0.15557(18) 0.0162(4) Uani 1 1 d . . . . .
C36 C 0.1977(2) 0.1856(2) 0.16610(19) 0.0181(5) Uani 1 1 d . . . . .
C37 C 0.1799(3) 0.2813(3) 0.2250(2) 0.0242(5) Uani 1 1 d . . . . .
H37 H 0.2308 0.3156 0.2842 0.029 Uiso 1 1 calc R U . . .
C38 C 0.0878(3) 0.3266(3) 0.1971(3) 0.0317(7) Uani 1 1 d . . . . .
H38 H 0.0750 0.3912 0.2377 0.038 Uiso 1 1 calc R U . . .
C39 C 0.0148(3) 0.2778(3) 0.1104(3) 0.0323(7) Uani 1 1 d . . . . .
H39 H -0.0473 0.3099 0.0912 0.039 Uiso 1 1 calc R U . . .
C40 C 0.0319(3) 0.1823(3) 0.0515(3) 0.0324(7) Uani 1 1 d . . . . .
H40 H -0.0187 0.1490 -0.0080 0.039 Uiso 1 1 calc R U . . .
C41 C 0.1229(3) 0.1356(3) 0.0794(2) 0.0248(6) Uani 1 1 d . . . . .
H41 H 0.1342 0.0697 0.0394 0.030 Uiso 1 1 calc R U . . .
C42 C 0.3099(2) -0.0005(2) 0.12455(17) 0.0165(5) Uani 1 1 d . . . . .
C43 C 0.3642(3) -0.0210(3) 0.0490(2) 0.0245(6) Uani 1 1 d . . . . .
H43 H 0.4114 0.0412 0.0336 0.029 Uiso 1 1 calc R U . . .
C44 C 0.3490(3) -0.1320(3) -0.0033(2) 0.0281(6) Uani 1 1 d . . . . .
H44 H 0.3865 -0.1459 -0.0543 0.034 Uiso 1 1 calc R U . . .
C45 C 0.2794(3) -0.2229(3) 0.0182(2) 0.0262(6) Uani 1 1 d . . . . .
H45 H 0.2692 -0.2989 -0.0180 0.031 Uiso 1 1 calc R U . . .
C46 C 0.2246(3) -0.2033(3) 0.0924(2) 0.0260(6) Uani 1 1 d . . . . .
H46 H 0.1760 -0.2658 0.1064 0.031 Uiso 1 1 calc R U . . .
C47 C 0.2404(3) -0.0925(3) 0.1464(2) 0.0230(5) Uani 1 1 d . . . . .
H47 H 0.2040 -0.0794 0.1981 0.028 Uiso 1 1 calc R U . . .
N1 N 0.46535(19) 0.17223(18) 0.49171(15) 0.0147(4) Uani 1 1 d . . . . .
O1 O 0.5252(2) 0.3480(3) 0.83617(17) 0.0390(6) Uani 1 1 d . . . . .
O2 O 0.6928(2) 0.4189(2) 0.80045(15) 0.0277(5) Uani 1 1 d . . . . .
P1 P 0.57652(6) 0.22172(6) 0.30912(4) 0.01432(11) Uani 1 1 d . . . . .
P2 P 0.32952(6) 0.14182(6) 0.19785(4) 0.01456(11) Uani 1 1 d . . . . .
Pt1 Pt 0.40179(2) 0.15354(2) 0.34799(2) 0.01311(3) Uani 1 1 d . . . . .
S1 S 0.13507(12) -0.69203(10) -0.18000(9) 0.0323(3) Uani 0.692(3) 1 d D . P A 1
C48 C 0.0647(4) -0.5773(4) -0.1800(4) 0.0310(13) Uani 0.692(3) 1 d D U P A 1
F1 F 0.1378(6) -0.4771(5) -0.1409(6) 0.0941(10) Uani 0.692(3) 1 d D U P A 1
F2 F -0.0146(4) -0.5866(4) -0.1286(5) 0.0941(10) Uani 0.692(3) 1 d D U P A 1
F3 F 0.0087(5) -0.5843(4) -0.2681(4) 0.0941(10) Uani 0.692(3) 1 d D U P A 1
O3 O 0.1957(6) -0.6803(5) -0.0890(4) 0.0656(8) Uani 0.692(3) 1 d D U P A 1
O4 O 0.0499(5) -0.7939(4) -0.2230(4) 0.0656(8) Uani 0.692(3) 1 d D U P A 1
O5 O 0.2138(4) -0.6658(4) -0.2412(4) 0.0656(8) Uani 0.692(3) 1 d D U P A 1
S11 S 0.0838(4) -0.6635(6) -0.1374(4) 0.092(2) Uani 0.308(3) 1 d D . P A 2
F12 F -0.0349(8) -0.5849(10) -0.2317(10) 0.0941(10) Uani 0.308(3) 1 d D U P A 2
F11 F 0.1333(14) -0.4713(8) -0.1655(11) 0.0941(10) Uani 0.308(3) 1 d D U P A 2
O13 O 0.0265(10) -0.7814(7) -0.1846(9) 0.0656(8) Uani 0.308(3) 1 d D U P A 2
O15 O 0.0236(10) -0.6005(9) -0.0721(7) 0.0656(8) Uani 0.308(3) 1 d D U P A 2
C148 C 0.0797(8) -0.5795(8) -0.2146(7) 0.0310(13) Uani 0.308(3) 1 d D U P A 2
F13 F 0.1267(9) -0.6128(9) -0.2864(8) 0.0941(10) Uani 0.308(3) 1 d D U P A 2
O14 O 0.2003(9) -0.6497(10) -0.0893(10) 0.0656(8) Uani 0.308(3) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.402(4) . ?
C1 C6 1.417(4) . ?
C1 Pt1 2.049(3) . ?
C2 C3 1.392(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.466(4) . ?
C7 N1 1.341(3) . ?
C7 C8 1.415(4) . ?
C8 C9 1.373(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.428(4) . ?
C9 C16 1.508(4) . ?
C10 C11 1.421(4) . ?
C10 C15 1.421(3) . ?
C11 C12 1.369(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.407(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.371(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.409(4) . ?
C14 H14 0.9500 . ?
C15 N1 1.379(3) . ?
C16 O1 1.196(4) . ?
C16 O2 1.328(4) . ?
C17 O2 1.455(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.390(4) . ?
C18 C23 1.397(4) . ?
C18 P1 1.815(3) . ?
C19 C20 1.393(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.387(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.399(4) . ?
C24 C29 1.403(4) . ?
C24 P1 1.819(3) . ?
C25 C26 1.395(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.385(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(4) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.397(4) . ?
C30 C35 1.398(4) . ?
C30 P1 1.823(3) . ?
C31 C32 1.391(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.386(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.390(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.401(4) . ?
C34 H34 0.9500 . ?
C35 P2 1.821(3) . ?
C36 C37 1.393(4) . ?
C36 C41 1.394(4) . ?
C36 P2 1.811(3) . ?
C37 C38 1.388(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.383(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.387(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.389(4) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 C47 1.397(4) . ?
C42 C43 1.398(4) . ?
C42 P2 1.808(3) . ?
C43 C44 1.385(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.384(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.385(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.390(4) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
N1 Pt1 2.104(2) . ?
P1 Pt1 2.3269(6) . ?
P2 Pt1 2.2306(6) . ?
S1 O3 1.399(5) . ?
S1 O4 1.407(5) . ?
S1 O5 1.459(5) . ?
S1 C48 1.789(4) . ?
C48 F1 1.320(6) . ?
C48 F2 1.325(6) . ?
C48 F3 1.353(6) . ?
S11 O14 1.439(8) . ?
S11 O13 1.447(8) . ?
S11 O15 1.493(8) . ?
S11 C148 1.696(10) . ?
F12 C148 1.358(8) . ?
F11 C148 1.351(9) . ?
C148 F13 1.323(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 116.6(2) . . ?
C2 C1 Pt1 132.2(2) . . ?
C6 C1 Pt1 111.10(19) . . ?
C3 C2 C1 121.3(3) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 120.8(3) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 118.9(3) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C1 122.2(3) . . ?
C5 C6 C7 121.6(3) . . ?
C1 C6 C7 115.7(2) . . ?
N1 C7 C8 120.6(2) . . ?
N1 C7 C6 114.6(2) . . ?
C8 C7 C6 124.8(2) . . ?
C9 C8 C7 120.1(2) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 119.8(2) . . ?
C8 C9 C16 116.1(2) . . ?
C10 C9 C16 123.9(2) . . ?
C11 C10 C15 117.8(2) . . ?
C11 C10 C9 125.1(2) . . ?
C15 C10 C9 117.0(2) . . ?
C12 C11 C10 121.0(3) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C13 120.3(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 120.2(2) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
N1 C15 C14 118.8(2) . . ?
N1 C15 C10 121.1(2) . . ?
C14 C15 C10 120.0(2) . . ?
O1 C16 O2 124.8(3) . . ?
O1 C16 C9 122.7(3) . . ?
O2 C16 C9 112.5(2) . . ?
O2 C17 H17A 109.5 . . ?
O2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C23 119.4(3) . . ?
C19 C18 P1 124.6(2) . . ?
C23 C18 P1 116.0(2) . . ?
C18 C19 C20 119.9(3) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 120.2(4) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 119.9(4) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C18 120.5(3) . . ?
C22 C23 H23 119.8 . . ?
C18 C23 H23 119.8 . . ?
C25 C24 C29 119.3(3) . . ?
C25 C24 P1 118.1(2) . . ?
C29 C24 P1 122.4(2) . . ?
C26 C25 C24 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C27 C26 C25 119.7(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 120.4(3) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C29 120.5(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C24 119.8(3) . . ?
C28 C29 H29 120.1 . . ?
C24 C29 H29 120.1 . . ?
C31 C30 C35 120.3(2) . . ?
C31 C30 P1 123.9(2) . . ?
C35 C30 P1 115.72(19) . . ?
C32 C31 C30 119.3(3) . . ?
C32 C31 H31 120.4 . . ?
C30 C31 H31 120.4 . . ?
C33 C32 C31 120.6(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 120.4(3) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C35 119.5(3) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C30 C35 C34 119.8(2) . . ?
C30 C35 P2 117.16(19) . . ?
C34 C35 P2 122.9(2) . . ?
C37 C36 C41 119.9(3) . . ?
C37 C36 P2 118.2(2) . . ?
C41 C36 P2 121.4(2) . . ?
C38 C37 C36 119.9(3) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C39 C38 C37 120.1(3) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.4(3) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C39 C40 C41 119.9(3) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C36 119.9(3) . . ?
C40 C41 H41 120.1 . . ?
C36 C41 H41 120.1 . . ?
C47 C42 C43 119.5(3) . . ?
C47 C42 P2 118.2(2) . . ?
C43 C42 P2 122.2(2) . . ?
C44 C43 C42 120.0(3) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C44 C45 C46 120.1(3) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C45 C46 C47 120.2(3) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C46 C47 C42 119.8(3) . . ?
C46 C47 H47 120.1 . . ?
C42 C47 H47 120.1 . . ?
C7 N1 C15 119.9(2) . . ?
C7 N1 Pt1 111.42(17) . . ?
C15 N1 Pt1 127.36(17) . . ?
C16 O2 C17 116.7(2) . . ?
C18 P1 C24 109.34(13) . . ?
C18 P1 C30 103.94(12) . . ?
C24 P1 C30 102.78(12) . . ?
C18 P1 Pt1 113.26(9) . . ?
C24 P1 Pt1 120.55(9) . . ?
C30 P1 Pt1 104.94(9) . . ?
C42 P2 C36 106.51(12) . . ?
C42 P2 C35 107.39(12) . . ?
C36 P2 C35 101.20(12) . . ?
C42 P2 Pt1 112.06(9) . . ?
C36 P2 Pt1 119.99(9) . . ?
C35 P2 Pt1 108.61(9) . . ?
C1 Pt1 N1 79.19(9) . . ?
C1 Pt1 P2 98.95(8) . . ?
N1 Pt1 P2 176.74(6) . . ?
C1 Pt1 P1 166.09(8) . . ?
N1 Pt1 P1 97.52(6) . . ?
P2 Pt1 P1 83.65(2) . . ?
O3 S1 O4 118.0(3) . . ?
O3 S1 O5 110.9(4) . . ?
O4 S1 O5 111.2(3) . . ?
O3 S1 C48 109.0(3) . . ?
O4 S1 C48 106.2(3) . . ?
O5 S1 C48 99.8(3) . . ?
F1 C48 F2 106.2(5) . . ?
F1 C48 F3 113.0(5) . . ?
F2 C48 F3 106.6(5) . . ?
F1 C48 S1 111.0(4) . . ?
F2 C48 S1 109.8(4) . . ?
F3 C48 S1 110.2(4) . . ?
O14 S11 O13 113.2(7) . . ?
O14 S11 O15 108.6(7) . . ?
O13 S11 O15 116.8(7) . . ?
O14 S11 C148 110.5(7) . . ?
O13 S11 C148 110.1(6) . . ?
O15 S11 C148 96.3(6) . . ?
F13 C148 F11 111.6(9) . . ?
F13 C148 F12 118.4(9) . . ?
F11 C148 F12 106.7(9) . . ?
F13 C148 S11 113.2(8) . . ?
F11 C148 S11 106.7(8) . . ?
F12 C148 S11 99.0(7) . . ?

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(4) . . . . ?
Pt1 C1 C2 C3 -175.1(2) . . . . ?
C1 C2 C3 C4 2.0(5) . . . . ?
C2 C3 C4 C5 -2.2(6) . . . . ?
C3 C4 C5 C6 -0.1(6) . . . . ?
C4 C5 C6 C1 2.8(5) . . . . ?
C4 C5 C6 C7 -169.6(3) . . . . ?
C2 C1 C6 C5 -2.9(4) . . . . ?
Pt1 C1 C6 C5 173.6(2) . . . . ?
C2 C1 C6 C7 169.9(2) . . . . ?
Pt1 C1 C6 C7 -13.6(3) . . . . ?
C5 C6 C7 N1 164.4(3) . . . . ?
C1 C6 C7 N1 -8.4(3) . . . . ?
C5 C6 C7 C8 -12.8(4) . . . . ?
C1 C6 C7 C8 174.4(3) . . . . ?
N1 C7 C8 C9 0.1(4) . . . . ?
C6 C7 C8 C9 177.2(3) . . . . ?
C7 C8 C9 C10 -7.7(4) . . . . ?
C7 C8 C9 C16 176.3(3) . . . . ?
C8 C9 C10 C11 -171.9(3) . . . . ?
C16 C9 C10 C11 3.8(4) . . . . ?
C8 C9 C10 C15 4.5(4) . . . . ?
C16 C9 C10 C15 -179.8(2) . . . . ?
C15 C10 C11 C12 -4.2(4) . . . . ?
C9 C10 C11 C12 172.1(3) . . . . ?
C10 C11 C12 C13 -0.2(4) . . . . ?
C11 C12 C13 C14 3.0(4) . . . . ?
C12 C13 C14 C15 -1.2(4) . . . . ?
C13 C14 C15 N1 179.7(2) . . . . ?
C13 C14 C15 C10 -3.3(4) . . . . ?
C11 C10 C15 N1 -177.1(2) . . . . ?
C9 C10 C15 N1 6.2(4) . . . . ?
C11 C10 C15 C14 5.9(4) . . . . ?
C9 C10 C15 C14 -170.7(2) . . . . ?
C8 C9 C16 O1 33.8(4) . . . . ?
C10 C9 C16 O1 -142.0(3) . . . . ?
C8 C9 C16 O2 -144.6(3) . . . . ?
C10 C9 C16 O2 39.6(4) . . . . ?
C23 C18 C19 C20 -1.6(4) . . . . ?
P1 C18 C19 C20 -179.0(2) . . . . ?
C18 C19 C20 C21 -0.3(5) . . . . ?
C19 C20 C21 C22 2.1(6) . . . . ?
C20 C21 C22 C23 -2.1(6) . . . . ?
C21 C22 C23 C18 0.2(6) . . . . ?
C19 C18 C23 C22 1.6(5) . . . . ?
P1 C18 C23 C22 179.3(3) . . . . ?
C29 C24 C25 C26 1.3(4) . . . . ?
P1 C24 C25 C26 176.2(2) . . . . ?
C24 C25 C26 C27 0.2(5) . . . . ?
C25 C26 C27 C28 -1.0(5) . . . . ?
C26 C27 C28 C29 0.2(5) . . . . ?
C27 C28 C29 C24 1.3(5) . . . . ?
C25 C24 C29 C28 -2.0(4) . . . . ?
P1 C24 C29 C28 -176.7(2) . . . . ?
C35 C30 C31 C32 -2.5(4) . . . . ?
P1 C30 C31 C32 174.0(2) . . . . ?
C30 C31 C32 C33 -1.9(4) . . . . ?
C31 C32 C33 C34 4.3(5) . . . . ?
C32 C33 C34 C35 -2.3(4) . . . . ?
C31 C30 C35 C34 4.4(4) . . . . ?
P1 C30 C35 C34 -172.3(2) . . . . ?
C31 C30 C35 P2 -171.0(2) . . . . ?
P1 C30 C35 P2 12.2(3) . . . . ?
C33 C34 C35 C30 -2.1(4) . . . . ?
C33 C34 C35 P2 173.1(2) . . . . ?
C41 C36 C37 C38 -0.1(5) . . . . ?
P2 C36 C37 C38 171.5(3) . . . . ?
C36 C37 C38 C39 -0.9(5) . . . . ?
C37 C38 C39 C40 1.0(5) . . . . ?
C38 C39 C40 C41 -0.2(5) . . . . ?
C39 C40 C41 C36 -0.8(5) . . . . ?
C37 C36 C41 C40 0.9(5) . . . . ?
P2 C36 C41 C40 -170.4(3) . . . . ?
C47 C42 C43 C44 -0.2(4) . . . . ?
P2 C42 C43 C44 178.1(2) . . . . ?
C42 C43 C44 C45 0.6(5) . . . . ?
C43 C44 C45 C46 -0.1(5) . . . . ?
C44 C45 C46 C47 -0.9(5) . . . . ?
C45 C46 C47 C42 1.3(5) . . . . ?
C43 C42 C47 C46 -0.8(4) . . . . ?
P2 C42 C47 C46 -179.2(2) . . . . ?
C8 C7 N1 C15 10.7(4) . . . . ?
C6 C7 N1 C15 -166.6(2) . . . . ?
C8 C7 N1 Pt1 -157.1(2) . . . . ?
C6 C7 N1 Pt1 25.6(3) . . . . ?
C14 C15 N1 C7 163.0(2) . . . . ?
C10 C15 N1 C7 -13.9(4) . . . . ?
C14 C15 N1 Pt1 -31.4(3) . . . . ?
C10 C15 N1 Pt1 151.66(19) . . . . ?
O1 C16 O2 C17 2.3(5) . . . . ?
C9 C16 O2 C17 -179.3(2) . . . . ?
C19 C18 P1 C24 -13.0(3) . . . . ?
C23 C18 P1 C24 169.5(2) . . . . ?
C19 C18 P1 C30 -122.2(2) . . . . ?
C23 C18 P1 C30 60.3(2) . . . . ?
C19 C18 P1 Pt1 124.5(2) . . . . ?
C23 C18 P1 Pt1 -53.0(2) . . . . ?
C25 C24 P1 C18 141.3(2) . . . . ?
C29 C24 P1 C18 -44.0(3) . . . . ?
C25 C24 P1 C30 -108.8(2) . . . . ?
C29 C24 P1 C30 66.0(3) . . . . ?
C25 C24 P1 Pt1 7.4(2) . . . . ?
C29 C24 P1 Pt1 -177.8(2) . . . . ?
C31 C30 P1 C18 34.8(3) . . . . ?
C35 C30 P1 C18 -148.6(2) . . . . ?
C31 C30 P1 C24 -79.2(3) . . . . ?
C35 C30 P1 C24 97.5(2) . . . . ?
C31 C30 P1 Pt1 154.0(2) . . . . ?
C35 C30 P1 Pt1 -29.4(2) . . . . ?
C47 C42 P2 C36 -75.6(2) . . . . ?
C43 C42 P2 C36 106.0(2) . . . . ?
C47 C42 P2 C35 176.6(2) . . . . ?
C43 C42 P2 C35 -1.7(3) . . . . ?
C47 C42 P2 Pt1 57.4(2) . . . . ?
C43 C42 P2 Pt1 -120.9(2) . . . . ?
C37 C36 P2 C42 166.6(2) . . . . ?
C41 C36 P2 C42 -21.9(3) . . . . ?
C37 C36 P2 C35 -81.2(2) . . . . ?
C41 C36 P2 C35 90.2(3) . . . . ?
C37 C36 P2 Pt1 38.1(3) . . . . ?
C41 C36 P2 Pt1 -150.5(2) . . . . ?
C30 C35 P2 C42 -109.5(2) . . . . ?
C34 C35 P2 C42 75.2(2) . . . . ?
C30 C35 P2 C36 139.1(2) . . . . ?
C34 C35 P2 C36 -36.2(3) . . . . ?
C30 C35 P2 Pt1 11.9(2) . . . . ?
C34 C35 P2 Pt1 -163.4(2) . . . . ?
O3 S1 C48 F1 51.9(6) . . . . ?
O4 S1 C48 F1 -179.9(5) . . . . ?
O5 S1 C48 F1 -64.3(6) . . . . ?
O3 S1 C48 F2 -65.2(5) . . . . ?
O4 S1 C48 F2 63.0(5) . . . . ?
O5 S1 C48 F2 178.6(4) . . . . ?
O3 S1 C48 F3 177.8(5) . . . . ?
O4 S1 C48 F3 -54.1(5) . . . . ?
O5 S1 C48 F3 61.6(4) . . . . ?
O14 S11 C148 F13 68.2(10) . . . . ?
O13 S11 C148 F13 -57.5(10) . . . . ?
O15 S11 C148 F13 -179.2(9) . . . . ?
O14 S11 C148 F11 -54.9(10) . . . . ?
O13 S11 C148 F11 179.3(10) . . . . ?
O15 S11 C148 F11 57.7(9) . . . . ?
O14 S11 C148 F12 -165.5(9) . . . . ?
O13 S11 C148 F12 68.7(9) . . . . ?
O15 S11 C148 F12 -52.9(8) . . . . ?

_refine_diff_density_max         2.248
_refine_diff_density_min         -1.799
_refine_diff_density_rms         0.119


_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Pt2
_database_code_depnum_ccdc_archive 'CCDC 1833002'
_audit_update_record             
;
2018-03-27 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C43 H32 N P2 Pt S, C F3 O3 S'
_chemical_formula_sum            'C44 H32 F3 N O3 P2 Pt S2'
_chemical_formula_weight         1000.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 '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                   9.0795(3)
_cell_length_b                   14.0701(5)
_cell_length_c                   18.4070(6)
_cell_angle_alpha                106.2530(10)
_cell_angle_beta                 99.7900(10)
_cell_angle_gamma                102.2840(10)
_cell_volume                     2138.74(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9582
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      35.08
_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_F_000             988
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.141
_exptl_crystal_size_min          0.036
_exptl_absorpt_coefficient_mu    3.505
_shelx_estimated_absorpt_T_min   0.571
_shelx_estimated_absorpt_T_max   0.884
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'


_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_detector_area_resol_mean 16 # 8 for binned mode
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_reflns_number            87409
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.188
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12462
_reflns_number_gt                11756
_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       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Diamond v.4.03 (Brandenburg, 2014)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²+1.3956P] 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         12462
_refine_ls_number_parameters     505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0221
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0501
_refine_ls_wR_factor_gt          0.0495
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_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
C1 C 0.5276(2) 0.64131(13) 0.62299(11) 0.0151(3) Uani 1 1 d . . . . .
C2 C 0.4441(2) 0.60637(13) 0.54593(11) 0.0154(3) Uani 1 1 d . . . . .
C3 C 0.3015(2) 0.52559(13) 0.52858(11) 0.0168(3) Uani 1 1 d . . . . .
C4 C 0.1868(2) 0.46827(15) 0.45851(12) 0.0213(4) Uani 1 1 d . . . . .
H4 H 0.1959 0.4816 0.4114 0.026 Uiso 1 1 calc R U . . .
C5 C 0.0615(2) 0.39277(15) 0.45879(14) 0.0257(4) Uani 1 1 d . . . . .
H5 H -0.0151 0.3549 0.4115 0.031 Uiso 1 1 calc R U . . .
C6 C 0.0447(2) 0.37083(16) 0.52664(15) 0.0274(4) Uani 1 1 d . . . . .
H6 H -0.0418 0.3179 0.5250 0.033 Uiso 1 1 calc R U . . .
C7 C 0.1536(2) 0.42583(16) 0.59633(14) 0.0249(4) Uani 1 1 d . . . . .
H7 H 0.1430 0.4117 0.6430 0.030 Uiso 1 1 calc R U . . .
C8 C 0.2799(2) 0.50277(14) 0.59656(12) 0.0188(4) Uani 1 1 d . . . . .
C9 C 0.5082(2) 0.65808(14) 0.49542(11) 0.0156(3) Uani 1 1 d . . . . .
C10 C 0.4477(2) 0.63559(16) 0.41588(12) 0.0214(4) Uani 1 1 d . . . . .
H10 H 0.3565 0.5805 0.3893 0.026 Uiso 1 1 calc R U . . .
C11 C 0.5196(2) 0.69305(17) 0.37524(12) 0.0239(4) Uani 1 1 d . . . . .
H11 H 0.4785 0.6773 0.3209 0.029 Uiso 1 1 calc R U . . .
C12 C 0.6515(2) 0.77342(17) 0.41437(12) 0.0250(4) Uani 1 1 d . . . . .
H12 H 0.7022 0.8144 0.3879 0.030 Uiso 1 1 calc R U . . .
C13 C 0.7077(2) 0.79249(16) 0.49310(12) 0.0225(4) Uani 1 1 d . . . . .
H13 H 0.7990 0.8474 0.5201 0.027 Uiso 1 1 calc R U . . .
C14 C 1.0925(2) 0.89629(13) 0.63289(11) 0.0151(3) Uani 1 1 d . . . . .
C15 C 1.2010(2) 0.84569(14) 0.65353(12) 0.0193(4) Uani 1 1 d . . . . .
H15 H 1.1968 0.8195 0.6956 0.023 Uiso 1 1 calc R U . . .
C16 C 1.3151(2) 0.83336(16) 0.61307(13) 0.0244(4) Uani 1 1 d . . . . .
H16 H 1.3879 0.7982 0.6272 0.029 Uiso 1 1 calc R U . . .
C17 C 1.3234(2) 0.87225(17) 0.55200(13) 0.0255(4) Uani 1 1 d . . . . .
H17 H 1.4013 0.8634 0.5242 0.031 Uiso 1 1 calc R U . . .
C18 C 1.2176(2) 0.92398(16) 0.53159(13) 0.0236(4) Uani 1 1 d . . . . .
H18 H 1.2236 0.9512 0.4901 0.028 Uiso 1 1 calc R U . . .
C19 C 1.1026(2) 0.93617(15) 0.57190(12) 0.0199(4) Uani 1 1 d . . . . .
H19 H 1.0306 0.9719 0.5578 0.024 Uiso 1 1 calc R U . . .
C20 C 0.8760(2) 1.01411(14) 0.67443(11) 0.0175(3) Uani 1 1 d . . . . .
C21 C 0.9850(2) 1.10618(15) 0.68442(13) 0.0233(4) Uani 1 1 d . . . . .
H21 H 1.0925 1.1097 0.6928 0.028 Uiso 1 1 calc R U . . .
C22 C 0.9361(3) 1.19256(16) 0.68212(15) 0.0315(5) Uani 1 1 d . . . . .
H22 H 1.0102 1.2550 0.6884 0.038 Uiso 1 1 calc R U . . .
C23 C 0.7797(3) 1.18810(18) 0.67072(15) 0.0339(5) Uani 1 1 d . . . . .
H23 H 0.7471 1.2476 0.6697 0.041 Uiso 1 1 calc R U . . .
C24 C 0.6709(3) 1.09759(18) 0.66089(14) 0.0309(5) Uani 1 1 d . . . . .
H24 H 0.5637 1.0949 0.6530 0.037 Uiso 1 1 calc R U . . .
C25 C 0.7184(2) 1.00999(16) 0.66253(13) 0.0231(4) Uani 1 1 d . . . . .
H25 H 0.6435 0.9476 0.6556 0.028 Uiso 1 1 calc R U . . .
C26 C 1.0324(2) 0.93534(14) 0.78520(11) 0.0166(3) Uani 1 1 d . . . . .
C27 C 1.1627(2) 1.01999(15) 0.82321(12) 0.0232(4) Uani 1 1 d . . . . .
H27 H 1.2071 1.0607 0.7949 0.028 Uiso 1 1 calc R U . . .
C28 C 1.2264(3) 1.04419(16) 0.90211(13) 0.0274(4) Uani 1 1 d . . . . .
H28 H 1.3145 1.1018 0.9279 0.033 Uiso 1 1 calc R U . . .
C29 C 1.1627(3) 0.98501(17) 0.94387(13) 0.0281(4) Uani 1 1 d . . . . .
H29 H 1.2068 1.0028 0.9981 0.034 Uiso 1 1 calc R U . . .
C30 C 1.0350(3) 0.90006(17) 0.90690(12) 0.0250(4) Uani 1 1 d . . . . .
H30 H 0.9924 0.8591 0.9355 0.030 Uiso 1 1 calc R U . . .
C31 C 0.9694(2) 0.87505(14) 0.82695(11) 0.0177(3) Uani 1 1 d . . . . .
C32 C 0.8897(2) 0.65578(14) 0.78061(11) 0.0175(3) Uani 1 1 d . . . . .
C33 C 1.0494(2) 0.66992(16) 0.78869(13) 0.0248(4) Uani 1 1 d . . . . .
H33 H 1.1136 0.7347 0.7921 0.030 Uiso 1 1 calc R U . . .
C34 C 1.1152(3) 0.58984(18) 0.79174(16) 0.0315(5) Uani 1 1 d . . . . .
H34 H 1.2237 0.5998 0.7966 0.038 Uiso 1 1 calc R U . . .
C35 C 1.0223(3) 0.49567(18) 0.78760(15) 0.0319(5) Uani 1 1 d . . . . .
H35 H 1.0673 0.4413 0.7905 0.038 Uiso 1 1 calc R U . . .
C36 C 0.8640(3) 0.48081(16) 0.77932(14) 0.0298(5) Uani 1 1 d . . . . .
H36 H 0.8006 0.4161 0.7765 0.036 Uiso 1 1 calc R U . . .
C37 C 0.7970(2) 0.55992(15) 0.77516(13) 0.0234(4) Uani 1 1 d . . . . .
H37 H 0.6879 0.5487 0.7686 0.028 Uiso 1 1 calc R U . . .
C38 C 0.6661(2) 0.76898(15) 0.83221(11) 0.0206(4) Uani 1 1 d . . . . .
C39 C 0.5685(3) 0.83006(19) 0.82098(14) 0.0309(5) Uani 1 1 d . . . . .
H39 H 0.5746 0.8625 0.7823 0.037 Uiso 1 1 calc R U . . .
C40 C 0.4616(3) 0.8437(2) 0.86630(17) 0.0430(7) Uani 1 1 d . . . . .
H40 H 0.3962 0.8866 0.8592 0.052 Uiso 1 1 calc R U . . .
C41 C 0.4506(3) 0.7952(2) 0.92149(15) 0.0441(7) Uani 1 1 d . . . . .
H41 H 0.3764 0.8037 0.9517 0.053 Uiso 1 1 calc R U . . .
C42 C 0.5471(3) 0.7344(2) 0.93283(14) 0.0410(6) Uani 1 1 d . . . . .
H42 H 0.5389 0.7010 0.9708 0.049 Uiso 1 1 calc R U . . .
C43 C 0.6562(3) 0.72168(19) 0.88903(13) 0.0294(5) Uani 1 1 d . . . . .
H43 H 0.7238 0.6808 0.8978 0.035 Uiso 1 1 calc R U . . .
C44 C 0.6127(6) 0.6333(6) 0.1504(3) 0.103(2) Uani 1 1 d . . . . .
N1 N 0.64038(18) 0.73770(12) 0.53345(9) 0.0163(3) Uani 1 1 d . . . . .
O1 O 0.6421(3) 0.8067(2) 0.24919(13) 0.0737(9) Uani 1 1 d . . . . .
O2 O 0.3902(2) 0.69001(17) 0.19442(12) 0.0453(5) Uani 1 1 d . . . . .
O3 O 0.5150(3) 0.77258(19) 0.11374(12) 0.0579(6) Uani 1 1 d . . . . .
F1 F 0.6371(5) 0.5886(3) 0.2054(2) 0.1412(16) Uani 1 1 d . . . . .
F2 F 0.7562(4) 0.6692(4) 0.1370(2) 0.1561(18) Uani 1 1 d . . . . .
F3 F 0.5292(6) 0.5601(3) 0.0860(2) 0.1598(19) Uani 1 1 d . . . . .
P1 P 0.93544(5) 0.90141(3) 0.68280(3) 0.01390(8) Uani 1 1 d . . . . .
P2 P 0.80846(5) 0.76141(4) 0.77435(3) 0.01475(8) Uani 1 1 d . . . . .
S1 S 0.42991(5) 0.58053(4) 0.67735(3) 0.01949(9) Uani 1 1 d . . . . .
S2 S 0.53062(7) 0.73561(6) 0.17905(4) 0.04017(16) Uani 1 1 d . . . . .
Pt1 Pt 0.72712(2) 0.75750(2) 0.65185(2) 0.01284(2) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.383(3) . ?
C1 S1 1.7254(18) . ?
C1 Pt1 2.0405(17) . ?
C2 C3 1.449(2) . ?
C2 C9 1.454(3) . ?
C3 C8 1.410(3) . ?
C3 C4 1.415(3) . ?
C4 C5 1.384(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.382(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.397(3) . ?
C7 H7 0.9500 . ?
C8 S1 1.741(2) . ?
C9 N1 1.374(2) . ?
C9 C10 1.392(3) . ?
C10 C11 1.386(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(3) . ?
C12 H12 0.9500 . ?
C13 N1 1.340(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.395(3) . ?
C14 C19 1.396(3) . ?
C14 P1 1.8261(18) . ?
C15 C16 1.388(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.386(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.396(3) . ?
C20 C21 1.397(3) . ?
C20 P1 1.8172(19) . ?
C21 C22 1.389(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.396(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.395(3) . ?
C26 C27 1.400(3) . ?
C26 P1 1.8193(19) . ?
C27 C28 1.383(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.387(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.386(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.403(3) . ?
C30 H30 0.9500 . ?
C31 P2 1.8131(19) . ?
C32 C33 1.396(3) . ?
C32 C37 1.397(3) . ?
C32 P2 1.817(2) . ?
C33 C34 1.393(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.385(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.391(3) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.389(3) . ?
C38 C43 1.393(3) . ?
C38 P2 1.811(2) . ?
C39 C40 1.393(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.378(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.389(3) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 F3 1.311(7) . ?
C44 F1 1.345(5) . ?
C44 F2 1.383(6) . ?
C44 S2 1.753(6) . ?
N1 Pt1 2.1050(16) . ?
O1 S2 1.447(2) . ?
O2 S2 1.4118(18) . ?
O3 S2 1.435(2) . ?
P1 Pt1 2.3152(4) . ?
P2 Pt1 2.2315(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 S1 110.71(13) . . ?
C2 C1 Pt1 116.29(13) . . ?
S1 C1 Pt1 132.84(10) . . ?
C1 C2 C3 114.33(17) . . ?
C1 C2 C9 115.91(16) . . ?
C3 C2 C9 129.71(17) . . ?
C8 C3 C4 117.15(17) . . ?
C8 C3 C2 110.56(16) . . ?
C4 C3 C2 132.28(19) . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.7(2) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C5 120.15(19) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C8 118.4(2) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 H7 120.8 . . ?
C7 C8 C3 122.75(18) . . ?
C7 C8 S1 125.96(17) . . ?
C3 C8 S1 111.28(13) . . ?
N1 C9 C10 119.48(17) . . ?
N1 C9 C2 113.85(16) . . ?
C10 C9 C2 126.66(17) . . ?
C11 C10 C9 120.42(19) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 119.45(19) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C11 118.07(19) . . ?
C13 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
N1 C13 C12 123.45(19) . . ?
N1 C13 H13 118.3 . . ?
C12 C13 H13 118.3 . . ?
C15 C14 C19 118.88(17) . . ?
C15 C14 P1 118.75(14) . . ?
C19 C14 P1 122.27(14) . . ?
C16 C15 C14 120.52(19) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 120.23(19) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 119.85(19) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.1(2) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 C14 120.44(18) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C25 C20 C21 119.53(18) . . ?
C25 C20 P1 118.92(15) . . ?
C21 C20 P1 121.43(15) . . ?
C22 C21 C20 119.9(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.3(2) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.0(2) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C20 120.0(2) . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
C31 C26 C27 119.71(18) . . ?
C31 C26 P1 117.45(14) . . ?
C27 C26 P1 122.81(15) . . ?
C28 C27 C26 119.79(19) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.54(19) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C30 C29 C28 120.4(2) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.45(19) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C26 C31 C30 120.08(17) . . ?
C26 C31 P2 118.35(14) . . ?
C30 C31 P2 121.50(15) . . ?
C33 C32 C37 118.97(18) . . ?
C33 C32 P2 118.91(14) . . ?
C37 C32 P2 122.09(15) . . ?
C34 C33 C32 120.50(19) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C35 C34 C33 120.0(2) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 120.0(2) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C37 120.5(2) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C32 120.13(19) . . ?
C36 C37 H37 119.9 . . ?
C32 C37 H37 119.9 . . ?
C39 C38 C43 119.5(2) . . ?
C39 C38 P2 116.92(16) . . ?
C43 C38 P2 123.50(17) . . ?
C38 C39 C40 120.1(2) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C41 C40 C39 120.1(3) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C42 C41 C40 120.1(2) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C43 120.4(3) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C42 C43 C38 119.8(2) . . ?
C42 C43 H43 120.1 . . ?
C38 C43 H43 120.1 . . ?
F3 C44 F1 107.0(6) . . ?
F3 C44 F2 106.7(5) . . ?
F1 C44 F2 106.6(4) . . ?
F3 C44 S2 113.7(4) . . ?
F1 C44 S2 112.7(4) . . ?
F2 C44 S2 109.6(5) . . ?
C13 N1 C9 119.12(17) . . ?
C13 N1 Pt1 125.24(13) . . ?
C9 N1 Pt1 115.55(12) . . ?
C20 P1 C26 105.27(9) . . ?
C20 P1 C14 105.28(9) . . ?
C26 P1 C14 103.94(9) . . ?
C20 P1 Pt1 112.84(6) . . ?
C26 P1 Pt1 107.96(6) . . ?
C14 P1 Pt1 120.29(6) . . ?
C38 P2 C31 104.78(9) . . ?
C38 P2 C32 109.23(9) . . ?
C31 P2 C32 103.60(9) . . ?
C38 P2 Pt1 115.35(7) . . ?
C31 P2 Pt1 109.89(7) . . ?
C32 P2 Pt1 113.04(6) . . ?
C1 S1 C8 93.04(9) . . ?
O2 S2 O3 115.82(13) . . ?
O2 S2 O1 112.25(13) . . ?
O3 S2 O1 114.78(14) . . ?
O2 S2 C44 103.9(2) . . ?
O3 S2 C44 104.16(19) . . ?
O1 S2 C44 104.2(3) . . ?
C1 Pt1 N1 78.21(7) . . ?
C1 Pt1 P2 96.89(5) . . ?
N1 Pt1 P2 174.20(4) . . ?
C1 Pt1 P1 173.44(5) . . ?
N1 Pt1 P1 99.29(4) . . ?
P2 Pt1 P1 85.905(17) . . ?

_refine_diff_density_max         1.863
_refine_diff_density_min         -1.181
_refine_diff_density_rms         0.086



_exptl_crystal_preparation       Luminescent
