# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_1c_red_revision
_database_code_depnum_ccdc_archive 'CCDC 2269104'
loop_
_audit_author_name
_audit_author_address
'Yuya Tanaka'
;Tokyo Institute of Technology
Japan
;
_audit_update_record             
;
2023-11-07 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;
_audit_creation_date             2023-11-05
_audit_creation_method           
;
Olex2 1.2
(compiled May 18 2018 14:05:52 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C25 H15 F3 N2 Pt), C2 H6 O S'
_chemical_formula_sum            'C52 H36 F6 N4 O Pt2 S'
_chemical_formula_weight         1269.09
_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 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.85760(10)
_cell_length_b                   32.2146(4)
_cell_length_c                   31.0202(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.3630(10)
_cell_angle_gamma                90
_cell_volume                     8843.90(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    53954
_cell_measurement_temperature    93(3)
_cell_measurement_theta_max      76.6810
_cell_measurement_theta_min      2.7040
_shelx_estimated_absorpt_T_max   0.569
_shelx_estimated_absorpt_T_min   0.252
_exptl_absorpt_coefficient_mu    12.705
_exptl_absorpt_correction_T_max  0.530
_exptl_absorpt_correction_T_min  0.490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.57a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4880
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            85698
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.006
_diffrn_reflns_theta_min         1.978
_diffrn_ambient_temperature      93(3)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00 -31.00   0.50    0.11    -- -102.75  61.00  30.00   64
  2  ω    -61.00 -32.00   0.50    0.11    -- -102.75  61.00   0.00   58
  3  ω    -67.00 -42.00   0.50    0.11    -- -102.75  61.00 -30.00   50
  4  ω    -67.00 -36.00   0.50    0.11    -- -102.75  61.00 -90.00   62
  5  ω    -62.00 -31.00   0.50    0.11    -- -102.75  61.00-150.00   62
  6  ω    -27.00  25.00   0.50    0.05    --  -47.66  19.00 -90.00  104
  7  ω    -27.00  24.00   0.50    0.05    --  -47.66  19.00 -30.00  102
  8  ω    -25.00  23.00   0.50    0.05    --  -47.66  19.00  90.00   96
  9  ω     95.00 125.00   0.50    0.11    --  102.75  15.00 -90.00   60
 10  ω    145.00 175.00   0.50    0.11    --  102.75  15.00 -90.00   60
 11  ω    144.00 170.00   0.50    0.11    --  102.75  61.00-120.00   52
 12  ω     89.00 127.00   0.50    0.11    --  102.75  61.00-120.00   76
 13  ω     55.00 119.00   0.50    0.05    --   47.66 160.00 -46.00  128
 14  ω     84.00 158.00   0.50    0.11    --  102.75 117.00 162.00  148
 15  ω     38.00  75.00   0.50    0.11    --  102.75 -61.00  90.00   74
 16  ω     31.00 103.00   0.50    0.11    --  102.75 -77.00  90.00  144
 17  ω     67.00 101.00   0.50    0.11    --  102.75 -77.00  30.00   68
 18  ω     12.00  89.00   0.50    0.05    --   47.66-117.00  74.00  154
 19  ω     31.00 109.00   0.50    0.11    --  102.75-117.00  74.00  156
 20  ω     80.00 134.00   0.50    0.11    --  102.75-160.00 -77.00  108
 21  ω     36.00 116.00   0.50    0.05    --   47.66-160.00 -77.00  160
 22  ω   -117.00 -35.00   0.50    0.05    --  -47.66 -57.00 -30.00  164
 23  ω   -118.00 -51.00   0.50    0.05    --  -47.66-160.00 -77.00  134
 24  ω   -174.00 -79.00   0.50    0.11    -- -102.75-117.00  74.00  190
 25  ω   -173.00-105.00   0.50    0.11    -- -102.75 -61.00   0.00  136
 26  ω   -115.00 -31.00   0.50    0.05    --  -47.66 160.00 -46.00  168
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0823306000
_diffrn_orient_matrix_UB_12      -0.0225120000
_diffrn_orient_matrix_UB_13      -0.0379640000
_diffrn_orient_matrix_UB_21      -0.0197876000
_diffrn_orient_matrix_UB_22      0.0416502000
_diffrn_orient_matrix_UB_23      -0.0239969000
_diffrn_orient_matrix_UB_31      0.1520545000
_diffrn_orient_matrix_UB_32      -0.0067518000
_diffrn_orient_matrix_UB_33      -0.0213124000
_diffrn_oxdiff_digest_frames     
;
011b7c68cf584c10bb34c69bdf4012ed55000549173
;
_diffrn_oxdiff_digest_hkl        
;
01e9fdb1349d59793a687f2c1fd1d3a5c98318
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16179
_reflns_number_total             17768
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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.

 Residual electron density remains closely on the platinum 
atoms, which is often caused by the effect of correction for 
heavy metal atom-based absorption.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.57a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.57a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.57a (Rigaku OD, 2022)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.666
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.198
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1237
_refine_ls_number_reflns         17768
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.693
_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)+(0.0272P)²+149.9269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1144
_refine_ls_wR_factor_ref         0.1162
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H,H,H,H) groups
2. Restrained distances
 S1-S2 = F2-F3
 2.13 with sigma of 0.04
 F3-F1
 2.13 with sigma of 0.04
 F1-F2
 2.13 with sigma of 0.04
 F2A-F1A
 2.13 with sigma of 0.04
 F2A-F3A
 2.13 with sigma of 0.04
 F1A-F3A
 2.13 with sigma of 0.04
 S2-O2 \\sim S2A-O2
 with sigma of 0.02
 S2-C100 \\sim S2A-C100
 with sigma of 0.02
 S2-C101 \\sim S2A-C101
 with sigma of 0.02
 S1-O1 \\sim S1A-O1
 with sigma of 0.02
 S1-C103 \\sim S1A-C103
 with sigma of 0.02
 S1-C102 \\sim S1A-C102
 with sigma of 0.02
 F2-C25 \\sim F2A-C25
 with sigma of 0.02
 F1-C25 \\sim F1A-C25
 with sigma of 0.02
 F3-C25 \\sim F3A-C25
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F2A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(F1) \\sim Ueq, Uanis(F1A) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(F3) \\sim Ueq, Uanis(F2) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.1
Uanis(F3A) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
4. Others
 Sof(F1A)=Sof(F3A)=Sof(F2A)=1-FVAR(1)
 Sof(F2)=Sof(F3)=Sof(F1)=FVAR(1)
 Sof(H7CA)=Sof(H8CA)=Sof(H9CA)=Sof(H9DA)=Sof(H0EA)=Sof(H1EA)=Sof(S2A)=1-FVAR(2)
 Sof(S2)=Sof(H4CA)=Sof(H5CA)=Sof(H6CA)=Sof(H6DA)=Sof(H7DA)=Sof(H8DA)=FVAR(2)
 Sof(H1CA)=Sof(H2CA)=Sof(H3CA)=Sof(H3DA)=Sof(H4DA)=Sof(H5DA)=Sof(S1A)=1-FVAR(3)
 Sof(S1)=Sof(H8BA)=Sof(H9BA)=Sof(H0CA)=Sof(H0DA)=Sof(H1DA)=Sof(H2DA)=FVAR(3)
5.a Me refined with riding coordinates:
 C103(H8BA,H9BA,H0CA), C103(H1CA,H2CA,H3CA), C100(H4CA,H5CA,H6CA), C100(H7CA,
 H8CA,H9CA), C102(H0DA,H1DA,H2DA), C102(H3DA,H4DA,H5DA), C101(H6DA,H7DA,H8DA),
 C101(H9DA,H0EA,H1EA)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H), C65(HA), C1(HB), C41(H41), C46(H46), C40(H40), C38(H38), C57(HC),
 C64(HD), C95(HE), C45(H45), C29(H29), C66(HF), C39(H39), C20(HG), C79(HH),
 C70(HI), C82(HJ), C3(HK), C77(HL), C63(HM), C49(H49), C24(HN), C96(HO),
 C59(HP), C27(H27), C58(HQ), C51(HR), C90(HS), C76(HT), C78(HU), C52(HV),
 C9(HW), C21(HX), C28(H28), C91(HY), C16(HZ), C74(H0AA), C98(H1AA), C88(H2AA),
 C7(H3AA), C71(H4AA), C83(H5AA), C4(H6AA), C23(H7AA), C15(H8AA), C73(H9AA),
 C48(H48), C8(H0BA), C33(H33), C34(H34), C32(H32), C53(H1BA), C84(H2BA),
 C26(H26), C14(H3BA), C112(H4BA), C89(H5BA), C13(H6BA), C54(H7BA)
;
_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 0.37687(3) 0.59712(2) -0.07204(2) 0.01633(7) Uani 1 1 d . . . . .
Pt3 Pt 0.88792(3) 0.59301(2) 0.57328(2) 0.01639(7) Uani 1 1 d . . . . .
Pt2 Pt 0.13238(3) 0.66281(2) -0.03472(2) 0.01659(7) Uani 1 1 d . . . . .
Pt4 Pt 0.63916(3) 0.66379(2) 0.53667(2) 0.01690(7) Uani 1 1 d . . . . .
S1 S 0.8042(3) 0.62578(7) 0.14543(8) 0.0322(7) Uani 0.896(8) 1 d D . P A 1
S2 S 0.2447(3) 0.62707(8) 0.34613(9) 0.0360(8) Uani 0.837(8) 1 d D . P B 1
F5 F 0.4918(7) 0.74954(18) 0.24929(17) 0.0440(13) Uani 1 1 d . . . . .
F8 F 0.7473(7) 0.47466(18) 0.28998(17) 0.0481(15) Uani 1 1 d . . . . .
F10 F 0.7284(7) 0.6898(2) 0.23354(16) 0.0550(17) Uani 1 1 d . . . . .
F6 F 0.2511(7) 0.7548(2) 0.24900(17) 0.0564(18) Uani 1 1 d . . . . .
F9 F 0.7400(8) 0.53818(19) 0.27137(16) 0.0546(17) Uani 1 1 d . . . . .
F4 F 0.3595(8) 0.6980(2) 0.26847(16) 0.0541(17) Uani 1 1 d . . . . .
N6 N 1.0344(7) 0.63865(19) 0.55897(19) 0.0200(12) Uani 1 1 d . . . . .
N4 N -0.0101(7) 0.6154(2) -0.02084(19) 0.0196(12) Uani 1 1 d . . . . .
N7 N 0.4901(7) 0.61770(19) 0.51956(19) 0.0182(12) Uani 1 1 d . . . . .
N1 N 0.5288(7) 0.64306(18) -0.05762(19) 0.0185(12) Uani 1 1 d . . . . .
N2 N 0.2363(7) 0.5593(2) -0.1080(2) 0.0210(13) Uani 1 1 d . . . . .
F7 F 0.9525(7) 0.5071(2) 0.28103(17) 0.0552(17) Uani 1 1 d . . . . .
N3 N 0.2359(7) 0.70835(18) -0.06899(18) 0.0172(12) Uani 1 1 d . . . . .
N8 N 0.7558(7) 0.70616(18) 0.57429(19) 0.0178(12) Uani 1 1 d . . . . .
N5 N 0.7612(7) 0.55427(19) 0.60896(19) 0.0203(13) Uani 1 1 d . . . . .
C36 C 0.0422(8) 0.6524(2) -0.0917(2) 0.0176(14) Uani 1 1 d . . . . .
O1 O 0.9350(7) 0.6017(2) 0.1292(2) 0.0404(15) Uani 1 1 d D . . . .
C37 C -0.0926(8) 0.5993(2) -0.0563(3) 0.0216(15) Uani 1 1 d . . . . .
C5 C 0.5772(8) 0.6651(2) -0.0923(2) 0.0200(15) Uani 1 1 d . . . . .
C2 C 0.6850(9) 0.6846(3) -0.0102(3) 0.0277(17) Uani 1 1 d . . . . .
H H 0.719954 0.691263 0.018307 0.033 Uiso 1 1 calc R . . . .
C61 C 0.9452(8) 0.6126(2) 0.6308(2) 0.0191(14) Uani 1 1 d . . . . .
C42 C 0.2220(8) 0.6750(2) 0.0261(2) 0.0192(14) Uani 1 1 d . . . . .
C10 C 0.3310(9) 0.6009(2) -0.1645(2) 0.0209(15) Uani 1 1 d . . . . .
F2 F 0.2720(12) 0.5295(3) 0.2258(2) 0.059(3) Uani 0.814(15) 1 d D U P C 1
C65 C 1.1681(9) 0.6825(3) 0.5116(3) 0.0273(17) Uani 1 1 d . . . . .
HA H 1.189328 0.690201 0.482953 0.033 Uiso 1 1 calc R . . . .
F3 F 0.2976(10) 0.4681(2) 0.2046(2) 0.053(3) Uani 0.814(15) 1 d D U P C 1
C1 C 0.5806(9) 0.6532(2) -0.0175(2) 0.0235(16) Uani 1 1 d . . . . .
HB H 0.544351 0.638334 0.006390 0.028 Uiso 1 1 calc R . . . .
C41 C -0.0302(9) 0.5997(3) 0.0186(3) 0.0261(17) Uani 1 1 d . . . . .
H41 H 0.026515 0.610710 0.042642 0.031 Uiso 1 1 calc R . . . .
O2 O 0.3839(8) 0.6069(2) 0.3641(2) 0.0459(17) Uani 1 1 d D . . . .
C56 C 0.8832(9) 0.5925(2) 0.6659(2) 0.0214(15) Uani 1 1 d . . . . .
C46 C 0.2464(9) 0.6834(2) 0.1828(2) 0.0238(16) Uani 1 1 d . . . . .
H46 H 0.191208 0.670065 0.204448 0.029 Uiso 1 1 calc R . . . .
C40 C -0.1324(9) 0.5676(3) 0.0252(3) 0.0270(17) Uani 1 1 d . . . . .
H40 H -0.144194 0.556817 0.053344 0.032 Uiso 1 1 calc R . . . .
C43 C 0.2669(8) 0.6823(2) 0.0629(2) 0.0202(15) Uani 1 1 d . . . . .
C35 C -0.0628(8) 0.6204(2) -0.0969(2) 0.0196(15) Uani 1 1 d . . . . .
C38 C -0.1949(9) 0.5677(2) -0.0508(3) 0.0234(16) Uani 1 1 d . . . . .
H38 H -0.250762 0.556858 -0.075038 0.028 Uiso 1 1 calc R . . . .
C67 C 0.8513(8) 0.5693(2) 0.5125(2) 0.0172(14) Uani 1 1 d . . . . .
C81 C 0.4650(9) 0.6166(2) 0.5963(2) 0.0217(15) Uani 1 1 d . . . . .
C93 C 0.7481(9) 0.6831(2) 0.4396(2) 0.0209(15) Uani 1 1 d . . . . .
C72 C 0.8206(9) 0.5238(2) 0.3431(2) 0.0225(15) Uani 1 1 d . . . . .
F1 F 0.4942(8) 0.5018(4) 0.2195(2) 0.064(3) Uani 0.814(15) 1 d D U P C 1
C57 C 0.9294(9) 0.6052(3) 0.7078(2) 0.0262(17) Uani 1 1 d . . . . .
HC H 0.890329 0.591993 0.732352 0.031 Uiso 1 1 calc R . . . .
C6 C 0.5084(8) 0.6521(2) -0.1338(2) 0.0190(14) Uani 1 1 d . . . . .
C11 C 0.4083(8) 0.6191(2) -0.1296(2) 0.0194(14) Uani 1 1 d . . . . .
C62 C 1.1019(8) 0.6593(2) 0.5940(2) 0.0212(15) Uani 1 1 d . . . . .
C12 C 0.2326(9) 0.5665(2) -0.1519(2) 0.0214(15) Uani 1 1 d . . . . .
C55 C 0.7760(9) 0.5596(2) 0.6529(2) 0.0203(15) Uani 1 1 d . . . . .
F12 F 0.8972(12) 0.7352(3) 0.2475(2) 0.103(4) Uani 1 1 d . . . . .
C64 C 1.2385(9) 0.7029(3) 0.5467(3) 0.0278(17) Uani 1 1 d . . . . .
HD H 1.308917 0.724588 0.542272 0.033 Uiso 1 1 calc R . . . .
C92 C 0.7134(8) 0.6774(2) 0.4763(2) 0.0185(14) Uani 1 1 d . . . . .
C95 C 0.6767(9) 0.6685(2) 0.3640(2) 0.0222(15) Uani 1 1 d . . . . .
HE H 0.593952 0.652675 0.373524 0.027 Uiso 1 1 calc R . . . .
C45 C 0.2217(9) 0.6725(2) 0.1400(2) 0.0215(15) Uani 1 1 d . . . . .
H45 H 0.148926 0.651738 0.132621 0.026 Uiso 1 1 calc R . . . .
C17 C 0.3643(9) 0.5712(2) -0.0114(2) 0.0194(14) Uani 1 1 d . . . . .
C18 C 0.3676(8) 0.5587(2) 0.0251(2) 0.0194(14) Uani 1 1 d . . . . .
F11 F 0.9519(9) 0.6703(3) 0.2472(2) 0.095(3) Uani 1 1 d . . . . .
C86 C 0.5671(8) 0.6492(2) 0.5927(2) 0.0192(14) Uani 1 1 d . . . . .
C80 C 0.4208(8) 0.5994(2) 0.5536(2) 0.0212(15) Uani 1 1 d . . . . .
C31 C 0.0846(8) 0.6772(2) -0.1264(2) 0.0183(14) Uani 1 1 d . . . . .
C60 C 1.0499(8) 0.6443(2) 0.6356(2) 0.0196(14) Uani 1 1 d . . . . .
C29 C 0.2631(9) 0.7371(3) -0.1391(2) 0.0258(17) Uani 1 1 d . . . . .
H29 H 0.239468 0.736872 -0.169276 0.031 Uiso 1 1 calc R . . . .
C66 C 1.0683(9) 0.6511(2) 0.5191(3) 0.0239(16) Uani 1 1 d . . . . .
HF H 1.020703 0.637529 0.494980 0.029 Uiso 1 1 calc R . . . .
C39 C -0.2172(10) 0.5516(2) -0.0097(3) 0.0279(17) Uani 1 1 d . . . . .
H39 H -0.288662 0.530069 -0.005692 0.033 Uiso 1 1 calc R . . . .
C20 C 0.4466(9) 0.5104(2) 0.0841(2) 0.0210(15) Uani 1 1 d . . . . .
HG H 0.502918 0.494712 0.064444 0.025 Uiso 1 1 calc R . . . .
C30 C 0.1974(9) 0.7081(2) -0.1124(2) 0.0209(15) Uani 1 1 d . . . . .
C79 C 0.3164(9) 0.5677(3) 0.5458(3) 0.0258(16) Uani 1 1 d . . . . .
HH H 0.268927 0.555027 0.569308 0.031 Uiso 1 1 calc R . . . .
C70 C 0.9146(9) 0.5103(2) 0.4159(2) 0.0215(15) Uani 1 1 d . . . . .
HI H 0.973815 0.493996 0.435696 0.026 Uiso 1 1 calc R . . . .
C82 C 0.4169(9) 0.6046(2) 0.6364(3) 0.0238(16) Uani 1 1 d . . . . .
HJ H 0.345456 0.582860 0.639063 0.029 Uiso 1 1 calc R . . . .
C3 C 0.7377(9) 0.7063(3) -0.0451(3) 0.0287(17) Uani 1 1 d . . . . .
HK H 0.810727 0.727678 -0.040887 0.034 Uiso 1 1 calc R . . . .
C44 C 0.3017(8) 0.6914(2) 0.1073(2) 0.0187(14) Uani 1 1 d . . . . .
C77 C 0.3518(10) 0.5735(3) 0.4705(3) 0.0306(18) Uani 1 1 d . . . . .
HL H 0.328925 0.565250 0.441589 0.037 Uiso 1 1 calc R . . . .
C63 C 1.2036(9) 0.6910(2) 0.5877(3) 0.0264(17) Uani 1 1 d . . . . .
HM H 1.250007 0.704742 0.611912 0.032 Uiso 1 1 calc R . . . .
C22 C 0.3628(9) 0.5211(3) 0.1560(2) 0.0260(17) Uani 1 1 d . . . . .
C49 C 0.4146(9) 0.7205(2) 0.1198(2) 0.0224(15) Uani 1 1 d . . . . .
H49 H 0.475703 0.732456 0.098663 0.027 Uiso 1 1 calc R . . . .
C24 C 0.2891(9) 0.5690(2) 0.0994(2) 0.0230(16) Uani 1 1 d . . . . .
HN H 0.238107 0.593633 0.090262 0.028 Uiso 1 1 calc R . . . .
C96 C 0.6995(9) 0.6719(3) 0.3203(2) 0.0257(16) Uani 1 1 d . . . . .
HO H 0.633914 0.658063 0.300013 0.031 Uiso 1 1 calc R . . . .
C59 C 1.0946(9) 0.6570(2) 0.6773(2) 0.0250(16) Uani 1 1 d . . . . .
HP H 1.166096 0.678754 0.681399 0.030 Uiso 1 1 calc R . . . .
C27 C 0.3995(10) 0.7662(3) -0.0780(3) 0.0285(17) Uani 1 1 d . . . . .
H27 H 0.467530 0.786162 -0.065619 0.034 Uiso 1 1 calc R . . . .
C58 C 1.0339(10) 0.6376(3) 0.7126(2) 0.0297(18) Uani 1 1 d . . . . .
HQ H 1.064172 0.646669 0.740805 0.036 Uiso 1 1 calc R . . . .
C51 C 0.6644(9) 0.5253(2) 0.5933(3) 0.0228(15) Uani 1 1 d . . . . .
HR H 0.652023 0.522303 0.562901 0.027 Uiso 1 1 calc R . . . .
C87 C 0.7330(8) 0.7029(2) 0.6179(2) 0.0196(14) Uani 1 1 d . . . . .
C90 C 0.9222(9) 0.7630(2) 0.5871(3) 0.0246(16) Uani 1 1 d . . . . .
HS H 0.985730 0.783783 0.575912 0.030 Uiso 1 1 calc R . . . .
C76 C 0.4569(9) 0.6048(2) 0.4790(2) 0.0252(16) Uani 1 1 d . . . . .
HT H 0.506376 0.617324 0.455709 0.030 Uiso 1 1 calc R . . . .
C75 C 0.8157(10) 0.5115(3) 0.2971(3) 0.0298(18) Uani 1 1 d . . . . .
C78 C 0.2807(10) 0.5545(3) 0.5039(3) 0.0282(17) Uani 1 1 d . . . . .
HU H 0.209198 0.532956 0.498417 0.034 Uiso 1 1 calc R . . . .
C52 C 0.5830(10) 0.4999(3) 0.6189(3) 0.0292(18) Uani 1 1 d . . . . .
HV H 0.516278 0.479704 0.606406 0.035 Uiso 1 1 calc R . . . .
C19 C 0.3674(8) 0.5454(2) 0.0695(2) 0.0179(14) Uani 1 1 d . . . . .
C9 C 0.3544(9) 0.6164(3) -0.2060(2) 0.0254(16) Uani 1 1 d . . . . .
HW H 0.305657 0.604014 -0.230652 0.030 Uiso 1 1 calc R . . . .
C94 C 0.7755(8) 0.6883(2) 0.3947(2) 0.0204(15) Uani 1 1 d . . . . .
C85 C 0.6256(8) 0.6702(2) 0.6294(2) 0.0202(15) Uani 1 1 d . . . . .
C21 C 0.4443(9) 0.4982(2) 0.1269(2) 0.0247(16) Uani 1 1 d . . . . .
HX H 0.498354 0.474209 0.136331 0.030 Uiso 1 1 calc R . . . .
C28 C 0.3623(9) 0.7662(3) -0.1219(3) 0.0267(17) Uani 1 1 d . . . . .
H28 H 0.405497 0.786271 -0.140114 0.032 Uiso 1 1 calc R . . . .
C91 C 0.8490(9) 0.7353(2) 0.5595(2) 0.0233(16) Uani 1 1 d . . . . .
HY H 0.864704 0.736927 0.529425 0.028 Uiso 1 1 calc R . . . .
C16 C 0.1471(9) 0.5289(2) -0.0929(3) 0.0226(15) Uani 1 1 d . . . . .
HZ H 0.145977 0.524711 -0.062572 0.027 Uiso 1 1 calc R . . . .
C74 C 0.7520(9) 0.5687(2) 0.4009(2) 0.0234(16) Uani 1 1 d . . . . .
H0AA H 0.698958 0.592339 0.410494 0.028 Uiso 1 1 calc R . . . .
C98 C 0.9160(10) 0.7156(3) 0.3356(3) 0.0323(19) Uani 1 1 d . . . . .
H1AA H 0.997698 0.731777 0.325944 0.039 Uiso 1 1 calc R . . . .
C88 C 0.8070(9) 0.7295(2) 0.6463(2) 0.0237(16) Uani 1 1 d . . . . .
H2AA H 0.792896 0.726867 0.676418 0.028 Uiso 1 1 calc R . . . .
C7 C 0.5296(10) 0.6676(3) -0.1750(3) 0.0284(17) Uani 1 1 d . . . . .
H3AA H 0.597801 0.689871 -0.179029 0.034 Uiso 1 1 calc R . . . .
C71 C 0.9061(9) 0.4994(2) 0.3724(2) 0.0233(16) Uani 1 1 d . . . . .
H4AA H 0.958211 0.475655 0.362630 0.028 Uiso 1 1 calc R . . . .
C83 C 0.4777(9) 0.6257(2) 0.6731(2) 0.0250(16) Uani 1 1 d . . . . .
H5AA H 0.447771 0.617389 0.700818 0.030 Uiso 1 1 calc R . . . .
C4 C 0.6822(9) 0.6964(3) -0.0864(3) 0.0275(17) Uani 1 1 d . . . . .
H6AA H 0.716713 0.711176 -0.110549 0.033 Uiso 1 1 calc R . . . .
C23 C 0.2856(9) 0.5567(2) 0.1422(2) 0.0244(16) Uani 1 1 d . . . . .
H7AA H 0.230484 0.572480 0.162099 0.029 Uiso 1 1 calc R . . . .
C15 C 0.0588(9) 0.5041(3) -0.1189(3) 0.0286(17) Uani 1 1 d . . . . .
H8AA H -0.001905 0.483030 -0.107014 0.034 Uiso 1 1 calc R . . . .
C73 C 0.7438(9) 0.5583(2) 0.3571(2) 0.0240(16) Uani 1 1 d . . . . .
H9AA H 0.686044 0.574798 0.337177 0.029 Uiso 1 1 calc R . . . .
C68 C 0.8450(8) 0.5566(2) 0.4757(2) 0.0192(14) Uani 1 1 d . . . . .
C48 C 0.4372(10) 0.7318(3) 0.1630(2) 0.0276(17) Uani 1 1 d . . . . .
H48 H 0.511461 0.751989 0.170940 0.033 Uiso 1 1 calc R . . . .
C8 C 0.4501(10) 0.6502(3) -0.2105(2) 0.0285(18) Uani 1 1 d . . . . .
H0BA H 0.461925 0.661722 -0.238291 0.034 Uiso 1 1 calc R . . . .
C33 C -0.0897(10) 0.6384(3) -0.1723(2) 0.0278(17) Uani 1 1 d . . . . .
H33 H -0.136037 0.633758 -0.200007 0.033 Uiso 1 1 calc R . . . .
C34 C -0.1299(9) 0.6131(2) -0.1376(2) 0.0241(16) Uani 1 1 d . . . . .
H34 H -0.201622 0.591441 -0.141921 0.029 Uiso 1 1 calc R . . . .
C32 C 0.0174(9) 0.6704(2) -0.1668(2) 0.0231(16) Uani 1 1 d . . . . .
H32 H 0.043219 0.687091 -0.190618 0.028 Uiso 1 1 calc R . . . .
C53 C 0.5995(10) 0.5041(3) 0.6639(3) 0.0316(18) Uani 1 1 d . . . . .
H1BA H 0.544774 0.486753 0.682497 0.038 Uiso 1 1 calc R . . . .
C84 C 0.5801(9) 0.6582(2) 0.6699(2) 0.0247(16) Uani 1 1 d . . . . .
H2BA H 0.618240 0.672096 0.695074 0.030 Uiso 1 1 calc R . . . .
C26 C 0.3337(8) 0.7361(2) -0.0526(2) 0.0226(15) Uani 1 1 d . . . . .
H26 H 0.359407 0.735271 -0.022545 0.027 Uiso 1 1 calc R . . . .
C47 C 0.3518(9) 0.7138(2) 0.1941(2) 0.0236(16) Uani 1 1 d . . . . .
C97 C 0.8200(10) 0.6960(3) 0.3059(3) 0.0297(18) Uani 1 1 d . . . . .
C14 C 0.0592(10) 0.5100(3) -0.1631(3) 0.0303(18) Uani 1 1 d . . . . .
H3BA H 0.000977 0.492477 -0.181941 0.036 Uiso 1 1 calc R . . . .
C112 C 0.8942(10) 0.7118(3) 0.3795(3) 0.0280(17) Uani 1 1 d . . . . .
H4BA H 0.961391 0.725396 0.399537 0.034 Uiso 1 1 calc R . . . .
C69 C 0.8364(9) 0.5450(2) 0.4307(2) 0.0189(14) Uani 1 1 d . . . . .
C89 C 0.9027(9) 0.7603(2) 0.6313(3) 0.0269(17) Uani 1 1 d . . . . .
H5BA H 0.953231 0.778966 0.650696 0.032 Uiso 1 1 calc R . . . .
C13 C 0.1449(9) 0.5416(3) -0.1794(3) 0.0270(17) Uani 1 1 d . . . . .
H6BA H 0.143661 0.546386 -0.209607 0.032 Uiso 1 1 calc R . . . .
C50 C 0.3652(11) 0.7287(3) 0.2398(3) 0.034(2) Uani 1 1 d . . . . .
C25 C 0.3647(10) 0.5066(3) 0.2013(3) 0.034(2) Uani 1 1 d D . . . .
C99 C 0.8484(12) 0.6985(4) 0.2591(3) 0.045(3) Uani 1 1 d . . . . .
C54 C 0.6975(10) 0.5340(3) 0.6803(3) 0.0288(18) Uani 1 1 d . . . . .
H7BA H 0.711323 0.537208 0.710698 0.035 Uiso 1 1 calc R . . . .
C103 C 0.6610(14) 0.6276(4) 0.1039(4) 0.067(4) Uani 1 1 d D . . . .
H8BA H 0.574317 0.643240 0.113932 0.101 Uiso 0.896(8) 1 calc R . P A 1
H9BA H 0.700300 0.641256 0.078464 0.101 Uiso 0.896(8) 1 calc R . P A 1
H0CA H 0.629250 0.599284 0.096354 0.101 Uiso 0.896(8) 1 calc R . P A 1
H1CA H 0.554597 0.619407 0.104583 0.101 Uiso 0.104(8) 1 calc R . P A 2
H2CA H 0.675513 0.654259 0.118712 0.101 Uiso 0.104(8) 1 calc R . P A 2
H3CA H 0.689932 0.630291 0.073881 0.101 Uiso 0.104(8) 1 calc R . P A 2
C100 C 0.1000(15) 0.6171(4) 0.3822(5) 0.075(4) Uani 1 1 d D . . . .
H4CA H 0.005867 0.630021 0.371292 0.113 Uiso 0.837(8) 1 calc R . P B 1
H5CA H 0.085217 0.587026 0.384689 0.113 Uiso 0.837(8) 1 calc R . P B 1
H6CA H 0.128561 0.628590 0.410604 0.113 Uiso 0.837(8) 1 calc R . P B 1
H7CA H 0.001320 0.603860 0.376846 0.113 Uiso 0.163(8) 1 calc R . P B 2
H8CA H 0.123641 0.618031 0.413315 0.113 Uiso 0.163(8) 1 calc R . P B 2
H9CA H 0.097270 0.645362 0.370587 0.113 Uiso 0.163(8) 1 calc R . P B 2
C102 C 0.7084(19) 0.5932(5) 0.1809(5) 0.085(5) Uani 1 1 d D . . . .
H0DA H 0.622000 0.608146 0.192112 0.127 Uiso 0.896(8) 1 calc R . P A 1
H1DA H 0.672651 0.568393 0.165351 0.127 Uiso 0.896(8) 1 calc R . P A 1
H2DA H 0.777430 0.585057 0.204905 0.127 Uiso 0.896(8) 1 calc R . P A 1
H3DA H 0.601255 0.585657 0.180597 0.127 Uiso 0.104(8) 1 calc R . P A 2
H4DA H 0.766534 0.574080 0.199673 0.127 Uiso 0.104(8) 1 calc R . P A 2
H5DA H 0.721173 0.621638 0.191743 0.127 Uiso 0.104(8) 1 calc R . P A 2
C101 C 0.1783(19) 0.5959(4) 0.3026(4) 0.081(5) Uani 1 1 d D . . . .
H6DA H 0.085801 0.608134 0.289593 0.122 Uiso 0.837(8) 1 calc R . P B 1
H7DA H 0.255531 0.594444 0.280890 0.122 Uiso 0.837(8) 1 calc R . P B 1
H8DA H 0.156670 0.567940 0.313018 0.122 Uiso 0.837(8) 1 calc R . P B 1
H9DA H 0.075422 0.585531 0.296900 0.122 Uiso 0.163(8) 1 calc R . P B 2
H0EA H 0.183045 0.625289 0.294432 0.122 Uiso 0.163(8) 1 calc R . P B 2
H1EA H 0.248913 0.579960 0.285597 0.122 Uiso 0.163(8) 1 calc R . P B 2
F1A F 0.450(4) 0.4770(10) 0.2142(13) 0.071(13) Uani 0.186(15) 1 d D U P C 2
F3A F 0.234(3) 0.5040(17) 0.2219(12) 0.083(16) Uani 0.186(15) 1 d D U P C 2
F2A F 0.433(5) 0.5389(9) 0.2269(9) 0.068(12) Uani 0.186(15) 1 d D U P C 2
S2A S 0.2285(14) 0.5905(4) 0.3588(4) 0.042(5) Uani 0.163(8) 1 d D . P B 2
S1A S 0.7721(19) 0.5903(6) 0.1295(6) 0.060(10) Uani 0.104(8) 1 d D . 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
Pt1 N1 2.037(6) . ?
Pt1 N2 2.040(6) . ?
Pt1 C11 1.951(7) . ?
Pt1 C17 2.064(7) . ?
Pt3 N6 2.022(6) . ?
Pt3 N5 2.036(6) . ?
Pt3 C61 1.940(7) . ?
Pt3 C67 2.049(7) . ?
Pt2 N4 2.039(6) . ?
Pt2 N3 2.050(6) . ?
Pt2 C36 1.937(7) . ?
Pt2 C42 2.055(7) . ?
Pt4 N7 2.042(6) . ?
Pt4 N8 2.047(6) . ?
Pt4 C92 2.059(7) . ?
Pt4 C86 1.935(7) . ?
S1 O1 1.499(7) . ?
S1 C103 1.771(12) . ?
S1 C102 1.762(12) . ?
S2 O2 1.482(8) . ?
S2 C100 1.765(12) . ?
S2 C101 1.764(12) . ?
F5 C50 1.329(11) . ?
F8 C75 1.345(10) . ?
F10 C99 1.329(12) . ?
F6 C50 1.354(11) . ?
F9 C75 1.335(10) . ?
F4 C50 1.333(11) . ?
N6 C62 1.389(10) . ?
N6 C66 1.347(10) . ?
N4 C37 1.395(9) . ?
N4 C41 1.343(10) . ?
N7 C80 1.377(9) . ?
N7 C76 1.346(9) . ?
N1 C5 1.373(10) . ?
N1 C1 1.348(10) . ?
N2 C12 1.382(9) . ?
N2 C16 1.354(10) . ?
F7 C75 1.336(10) . ?
N3 C30 1.377(9) . ?
N3 C26 1.330(10) . ?
N8 C87 1.379(9) . ?
N8 C91 1.344(10) . ?
N5 C55 1.376(9) . ?
N5 C51 1.345(10) . ?
C36 C35 1.392(10) . ?
C36 C31 1.406(10) . ?
O1 S1A 1.490(17) . ?
C37 C35 1.467(10) . ?
C37 C38 1.377(11) . ?
C5 C6 1.462(10) . ?
C5 C4 1.379(11) . ?
C2 C1 1.384(12) . ?
C2 C3 1.385(12) . ?
C61 C56 1.397(10) . ?
C61 C60 1.383(11) . ?
C42 C43 1.216(10) . ?
C10 C11 1.386(10) . ?
C10 C12 1.475(11) . ?
C10 C9 1.404(10) . ?
F2 C25 1.358(12) . ?
C65 C64 1.395(12) . ?
C65 C66 1.368(11) . ?
F3 C25 1.381(11) . ?
C41 C40 1.394(11) . ?
O2 S2A 1.477(13) . ?
C56 C57 1.408(10) . ?
C56 C55 1.468(11) . ?
C46 C45 1.381(10) . ?
C46 C47 1.389(11) . ?
C40 C39 1.391(12) . ?
C43 C44 1.428(10) . ?
C35 C34 1.394(10) . ?
C38 C39 1.398(11) . ?
C67 C68 1.211(10) . ?
C81 C86 1.392(11) . ?
C81 C80 1.474(10) . ?
C81 C82 1.384(10) . ?
C93 C92 1.204(10) . ?
C93 C94 1.435(10) . ?
C72 C75 1.482(11) . ?
C72 C71 1.397(11) . ?
C72 C73 1.383(11) . ?
F1 C25 1.267(11) . ?
C57 C58 1.401(12) . ?
C6 C11 1.395(10) . ?
C6 C7 1.391(11) . ?
C62 C60 1.470(10) . ?
C62 C63 1.382(11) . ?
C12 C13 1.383(11) . ?
C55 C54 1.391(11) . ?
F12 C99 1.314(14) . ?
C64 C63 1.377(12) . ?
C95 C96 1.383(11) . ?
C95 C94 1.418(10) . ?
C45 C44 1.402(10) . ?
C17 C18 1.203(10) . ?
C18 C19 1.442(9) . ?
F11 C99 1.352(13) . ?
C86 C85 1.406(10) . ?
C80 C79 1.390(11) . ?
C31 C30 1.463(11) . ?
C31 C32 1.382(10) . ?
C60 C59 1.397(10) . ?
C29 C30 1.392(11) . ?
C29 C28 1.377(12) . ?
C20 C19 1.394(10) . ?
C20 C21 1.384(10) . ?
C79 C78 1.393(11) . ?
C70 C71 1.393(10) . ?
C70 C69 1.405(11) . ?
C82 C83 1.414(11) . ?
C3 C4 1.389(12) . ?
C44 C49 1.413(11) . ?
C77 C76 1.389(12) . ?
C77 C78 1.377(12) . ?
C22 C21 1.391(11) . ?
C22 C23 1.393(11) . ?
C22 C25 1.480(11) . ?
C49 C48 1.393(10) . ?
C24 C19 1.403(10) . ?
C24 C23 1.387(10) . ?
C96 C97 1.407(12) . ?
C59 C58 1.388(12) . ?
C27 C28 1.389(12) . ?
C27 C26 1.394(11) . ?
C51 C52 1.366(12) . ?
C87 C85 1.472(11) . ?
C87 C88 1.377(11) . ?
C90 C91 1.378(11) . ?
C90 C89 1.391(11) . ?
C52 C53 1.404(12) . ?
C9 C8 1.389(12) . ?
C94 C112 1.392(11) . ?
C85 C84 1.389(10) . ?
C16 C15 1.361(11) . ?
C74 C73 1.397(11) . ?
C74 C69 1.391(11) . ?
C98 C97 1.380(13) . ?
C98 C112 1.389(12) . ?
C88 C89 1.400(12) . ?
C7 C8 1.398(12) . ?
C83 C84 1.392(12) . ?
C15 C14 1.382(12) . ?
C68 C69 1.442(10) . ?
C48 C47 1.380(11) . ?
C33 C34 1.405(11) . ?
C33 C32 1.406(12) . ?
C53 C54 1.382(13) . ?
C47 C50 1.496(10) . ?
C97 C99 1.487(12) . ?
C14 C13 1.379(12) . ?
C25 F1A 1.27(2) . ?
C25 F3A 1.35(2) . ?
C25 F2A 1.43(2) . ?
C103 S1A 1.73(2) . ?
C100 S2A 1.620(17) . ?
C102 S1A 1.714(19) . ?
C101 S2A 1.789(17) . ?

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 Pt1 N2 159.5(2) . . ?
N1 Pt1 C17 98.8(3) . . ?
N2 Pt1 C17 101.6(3) . . ?
C11 Pt1 N1 79.6(3) . . ?
C11 Pt1 N2 79.8(3) . . ?
C11 Pt1 C17 174.4(3) . . ?
N6 Pt3 N5 159.7(2) . . ?
N6 Pt3 C67 98.5(3) . . ?
N5 Pt3 C67 101.7(3) . . ?
C61 Pt3 N6 79.6(3) . . ?
C61 Pt3 N5 80.1(3) . . ?
C61 Pt3 C67 173.5(3) . . ?
N4 Pt2 N3 160.0(2) . . ?
N4 Pt2 C42 99.7(3) . . ?
N3 Pt2 C42 100.1(3) . . ?
C36 Pt2 N4 80.1(3) . . ?
C36 Pt2 N3 80.1(3) . . ?
C36 Pt2 C42 178.2(3) . . ?
N7 Pt4 N8 159.8(2) . . ?
N7 Pt4 C92 98.4(3) . . ?
N8 Pt4 C92 101.8(3) . . ?
C86 Pt4 N7 79.8(3) . . ?
C86 Pt4 N8 80.1(3) . . ?
C86 Pt4 C92 178.0(3) . . ?
O1 S1 C103 108.2(5) . . ?
O1 S1 C102 107.5(6) . . ?
C102 S1 C103 97.2(8) . . ?
O2 S2 C100 107.2(5) . . ?
O2 S2 C101 106.5(6) . . ?
C101 S2 C100 98.8(8) . . ?
C62 N6 Pt3 115.8(5) . . ?
C66 N6 Pt3 126.0(5) . . ?
C66 N6 C62 118.1(7) . . ?
C37 N4 Pt2 114.9(5) . . ?
C41 N4 Pt2 125.5(5) . . ?
C41 N4 C37 119.6(7) . . ?
C80 N7 Pt4 114.6(5) . . ?
C76 N7 Pt4 125.5(5) . . ?
C76 N7 C80 119.9(7) . . ?
C5 N1 Pt1 115.3(5) . . ?
C1 N1 Pt1 125.1(5) . . ?
C1 N1 C5 119.5(6) . . ?
C12 N2 Pt1 115.4(5) . . ?
C16 N2 Pt1 126.5(5) . . ?
C16 N2 C12 118.1(7) . . ?
C30 N3 Pt2 113.9(5) . . ?
C26 N3 Pt2 125.4(5) . . ?
C26 N3 C30 120.7(6) . . ?
C87 N8 Pt4 114.6(5) . . ?
C91 N8 Pt4 125.0(5) . . ?
C91 N8 C87 120.3(6) . . ?
C55 N5 Pt3 115.5(5) . . ?
C51 N5 Pt3 125.9(5) . . ?
C51 N5 C55 118.6(6) . . ?
C35 C36 Pt2 118.9(5) . . ?
C35 C36 C31 121.9(6) . . ?
C31 C36 Pt2 119.2(5) . . ?
N4 C37 C35 113.4(6) . . ?
C38 C37 N4 120.2(7) . . ?
C38 C37 C35 126.4(7) . . ?
N1 C5 C6 114.2(6) . . ?
N1 C5 C4 120.2(7) . . ?
C4 C5 C6 125.5(7) . . ?
C1 C2 C3 119.1(7) . . ?
C56 C61 Pt3 118.0(6) . . ?
C60 C61 Pt3 119.2(6) . . ?
C60 C61 C56 122.7(7) . . ?
C43 C42 Pt2 176.3(7) . . ?
C11 C10 C12 112.9(6) . . ?
C11 C10 C9 118.7(7) . . ?
C9 C10 C12 128.4(7) . . ?
C66 C65 C64 119.2(8) . . ?
N1 C1 C2 121.9(7) . . ?
N4 C41 C40 121.5(8) . . ?
C61 C56 C57 118.5(7) . . ?
C61 C56 C55 113.1(6) . . ?
C57 C56 C55 128.4(7) . . ?
C45 C46 C47 120.1(7) . . ?
C39 C40 C41 119.7(7) . . ?
C42 C43 C44 173.4(8) . . ?
C36 C35 C37 112.7(6) . . ?
C36 C35 C34 119.3(7) . . ?
C34 C35 C37 127.9(7) . . ?
C37 C38 C39 120.4(7) . . ?
C68 C67 Pt3 173.1(7) . . ?
C86 C81 C80 111.2(6) . . ?
C82 C81 C86 120.5(7) . . ?
C82 C81 C80 128.3(7) . . ?
C92 C93 C94 174.5(8) . . ?
C71 C72 C75 118.0(7) . . ?
C73 C72 C75 121.5(7) . . ?
C73 C72 C71 120.5(7) . . ?
C58 C57 C56 118.7(7) . . ?
C11 C6 C5 112.2(6) . . ?
C7 C6 C5 129.7(7) . . ?
C7 C6 C11 118.1(7) . . ?
C10 C11 Pt1 118.6(6) . . ?
C10 C11 C6 122.9(7) . . ?
C6 C11 Pt1 118.5(5) . . ?
N6 C62 C60 112.9(6) . . ?
C63 C62 N6 120.3(7) . . ?
C63 C62 C60 126.8(7) . . ?
N2 C12 C10 113.4(6) . . ?
N2 C12 C13 120.1(7) . . ?
C13 C12 C10 126.6(7) . . ?
N5 C55 C56 113.3(6) . . ?
N5 C55 C54 120.1(7) . . ?
C54 C55 C56 126.5(7) . . ?
C63 C64 C65 118.6(7) . . ?
C93 C92 Pt4 174.6(7) . . ?
C96 C95 C94 120.7(7) . . ?
C46 C45 C44 121.4(7) . . ?
C18 C17 Pt1 173.8(7) . . ?
C17 C18 C19 177.1(8) . . ?
C81 C86 Pt4 119.7(5) . . ?
C81 C86 C85 121.2(7) . . ?
C85 C86 Pt4 119.0(6) . . ?
N7 C80 C81 114.7(7) . . ?
N7 C80 C79 119.6(7) . . ?
C79 C80 C81 125.7(7) . . ?
C36 C31 C30 111.1(6) . . ?
C32 C31 C36 119.1(7) . . ?
C32 C31 C30 129.9(7) . . ?
C61 C60 C62 112.4(6) . . ?
C61 C60 C59 118.7(7) . . ?
C59 C60 C62 128.9(7) . . ?
C28 C29 C30 120.1(7) . . ?
N6 C66 C65 123.1(8) . . ?
C40 C39 C38 118.6(7) . . ?
C21 C20 C19 120.9(7) . . ?
N3 C30 C31 115.7(6) . . ?
N3 C30 C29 119.0(7) . . ?
C29 C30 C31 125.3(7) . . ?
C80 C79 C78 120.8(8) . . ?
C71 C70 C69 120.7(7) . . ?
C81 C82 C83 117.8(7) . . ?
C2 C3 C4 119.1(8) . . ?
C45 C44 C43 120.9(7) . . ?
C45 C44 C49 117.5(7) . . ?
C49 C44 C43 121.6(7) . . ?
C78 C77 C76 120.3(7) . . ?
C64 C63 C62 120.6(7) . . ?
C21 C22 C23 119.9(7) . . ?
C21 C22 C25 117.7(7) . . ?
C23 C22 C25 122.5(8) . . ?
C48 C49 C44 120.7(7) . . ?
C23 C24 C19 120.5(7) . . ?
C95 C96 C97 119.9(7) . . ?
C58 C59 C60 119.6(8) . . ?
C28 C27 C26 117.8(8) . . ?
C59 C58 C57 121.8(7) . . ?
N5 C51 C52 123.4(7) . . ?
N8 C87 C85 114.5(6) . . ?
C88 C87 N8 119.8(7) . . ?
C88 C87 C85 125.7(7) . . ?
C91 C90 C89 119.9(7) . . ?
N7 C76 C77 121.3(7) . . ?
F8 C75 C72 112.9(7) . . ?
F9 C75 F8 105.0(7) . . ?
F9 C75 F7 106.6(7) . . ?
F9 C75 C72 113.4(7) . . ?
F7 C75 F8 104.8(7) . . ?
F7 C75 C72 113.4(7) . . ?
C77 C78 C79 118.1(8) . . ?
C51 C52 C53 119.0(8) . . ?
C20 C19 C18 121.9(7) . . ?
C20 C19 C24 118.7(6) . . ?
C24 C19 C18 119.4(7) . . ?
C8 C9 C10 118.8(7) . . ?
C95 C94 C93 118.4(7) . . ?
C112 C94 C93 123.5(7) . . ?
C112 C94 C95 118.1(7) . . ?
C86 C85 C87 111.6(6) . . ?
C84 C85 C86 119.1(7) . . ?
C84 C85 C87 129.3(7) . . ?
C20 C21 C22 120.1(7) . . ?
C29 C28 C27 120.2(7) . . ?
N8 C91 C90 121.3(7) . . ?
N2 C16 C15 123.3(8) . . ?
C69 C74 C73 121.3(7) . . ?
C97 C98 C112 120.5(8) . . ?
C87 C88 C89 120.4(7) . . ?
C6 C7 C8 119.7(8) . . ?
C70 C71 C72 119.6(7) . . ?
C84 C83 C82 122.2(7) . . ?
C5 C4 C3 120.2(8) . . ?
C24 C23 C22 120.0(7) . . ?
C16 C15 C14 118.9(8) . . ?
C72 C73 C74 119.4(7) . . ?
C67 C68 C69 175.2(8) . . ?
C47 C48 C49 120.1(8) . . ?
C9 C8 C7 121.7(7) . . ?
C34 C33 C32 121.6(7) . . ?
C35 C34 C33 118.9(7) . . ?
C31 C32 C33 119.3(7) . . ?
C54 C53 C52 118.2(8) . . ?
C85 C84 C83 119.2(7) . . ?
N3 C26 C27 122.2(7) . . ?
C46 C47 C50 119.6(7) . . ?
C48 C47 C46 120.1(7) . . ?
C48 C47 C50 120.3(8) . . ?
C96 C97 C99 120.0(8) . . ?
C98 C97 C96 119.7(7) . . ?
C98 C97 C99 120.2(9) . . ?
C13 C14 C15 119.3(8) . . ?
C98 C112 C94 121.1(8) . . ?
C70 C69 C68 121.1(7) . . ?
C74 C69 C70 118.4(7) . . ?
C74 C69 C68 120.5(7) . . ?
C90 C89 C88 118.3(7) . . ?
C14 C13 C12 120.3(8) . . ?
F5 C50 F6 105.7(8) . . ?
F5 C50 F4 106.4(7) . . ?
F5 C50 C47 113.9(7) . . ?
F6 C50 C47 111.6(7) . . ?
F4 C50 F6 105.8(8) . . ?
F4 C50 C47 112.9(8) . . ?
F2 C25 F3 100.0(8) . . ?
F2 C25 C22 112.1(8) . . ?
F3 C25 C22 111.4(7) . . ?
F1 C25 F2 111.9(9) . . ?
F1 C25 F3 103.9(9) . . ?
F1 C25 C22 115.9(8) . . ?
F1A C25 C22 121(2) . . ?
F1A C25 F3A 108(2) . . ?
F1A C25 F2A 98(2) . . ?
F3A C25 C22 119.5(18) . . ?
F3A C25 F2A 98(2) . . ?
F2A C25 C22 106.6(14) . . ?
F10 C99 F11 103.4(9) . . ?
F10 C99 C97 114.1(8) . . ?
F12 C99 F10 106.9(9) . . ?
F12 C99 F11 107.1(10) . . ?
F12 C99 C97 112.7(10) . . ?
F11 C99 C97 112.0(8) . . ?
C53 C54 C55 120.7(8) . . ?
O2 S2A C100 115.5(10) . . ?
O2 S2A C101 105.5(9) . . ?
C100 S2A C101 103.6(10) . . ?
O1 S1A C103 111.0(11) . . ?
O1 S1A C102 110.5(12) . . ?
C102 S1A C103 100.8(12) . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.888
_oxdiff_exptl_absorpt_empirical_full_min 0.699
