# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_2_amt916
_database_code_depnum_ccdc_archive 'CCDC 1982327'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC  Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2020-02-06 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C53 H31 F10 N3 P2 Pt2 S, 1.25(C H2 Cl2)'
_chemical_formula_sum            'C54.25 H33.50 Cl2.50 F10 N3 P2 Pt2 S'
_chemical_formula_weight         1490.14

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'
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'
F F 0.0171 0.0103 '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'

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

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

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

_cell_length_a                   10.47577(14)
_cell_length_b                   18.4399(2)
_cell_length_c                   26.7555(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.9198(13)
_cell_angle_gamma                90
_cell_volume                     5140.85(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    25691
_cell_measurement_theta_min      4.4040
_cell_measurement_theta_max      29.1800

_exptl_crystal_description       prism
_exptl_crystal_colour            'translucent pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_F_000             2858
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4100
_exptl_crystal_size_mid          0.2800
_exptl_crystal_size_min          0.2700
_exptl_absorpt_coefficient_mu    5.747
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.36280
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            56339
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         4.379
_diffrn_reflns_theta_max         29.275
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.894
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.894
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_orient_matrix_UB_11      0.0114710000
_diffrn_orient_matrix_UB_12      0.0198750000
_diffrn_orient_matrix_UB_13      0.0227190000
_diffrn_orient_matrix_UB_21      -0.0283657000
_diffrn_orient_matrix_UB_22      0.0311292000
_diffrn_orient_matrix_UB_23      -0.0121250000
_diffrn_orient_matrix_UB_31      -0.0608131000
_diffrn_orient_matrix_UB_32      -0.0107721000
_diffrn_orient_matrix_UB_33      0.0068502000
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -24.00   24.60   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305  -99.0000 -120.0000 81

#__ type_ start__ end____ width___ exp.time_
  2 omega  -19.00   27.80   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305 -105.0000  101.0000 78

#__ type_ start__ end____ width___ exp.time_
  3 omega  -53.00   89.20   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -       18.1180    0.0000 -180.0000 237

#__ type_ start__ end____ width___ exp.time_
  4 omega   34.00   91.60   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -       18.1180  179.0000   90.0000 96

#__ type_ start__ end____ width___ exp.time_
  5 omega  -86.00    7.00   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305  -37.0000 -180.0000 155

#__ type_ start__ end____ width___ exp.time_
  6 omega  -84.00  -42.60   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -      -15.9305  -57.0000  -30.0000 69

#__ type_ start__ end____ width___ exp.time_
  7 omega  -49.00   36.80   0.6000   22.5000
omega____ theta____ kappa____ phi______ frames
    -       18.1180  -57.0000  120.0000 143

;
_reflns_number_total             12549
_reflns_number_gt                11684
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_solution    shelxs
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+16.3789P] 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         12549
_refine_ls_number_parameters     688
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0266
_refine_ls_wR_factor_ref         0.0721
_refine_ls_wR_factor_gt          0.0705
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.53843(2) 0.35440(2) 0.23269(2) 0.01090(4) Uani 1 1 d . . . . .
Pt2 Pt 0.49163(2) 0.36212(2) 0.36265(2) 0.01040(4) Uani 1 1 d . . . . .
P1 P 0.66093(8) 0.36593(4) 0.31054(3) 0.01204(16) Uani 1 1 d . . . . .
P2 P 0.39841(8) 0.31537(4) 0.28760(3) 0.01176(15) Uani 1 1 d . . . . .
S S 0.30354(8) 0.34401(4) 0.40899(3) 0.01540(16) Uani 1 1 d . . . . .
F1 F 0.6023(2) 0.51490(11) 0.18986(8) 0.0232(5) Uani 1 1 d . . . . .
F2 F 0.7476(2) 0.55891(12) 0.11938(9) 0.0295(5) Uani 1 1 d . . . . .
F3 F 0.8768(2) 0.46100(13) 0.06761(9) 0.0301(5) Uani 1 1 d . . . . .
F4 F 0.8587(2) 0.31701(12) 0.08838(9) 0.0287(5) Uani 1 1 d . . . . .
F5 F 0.7201(2) 0.27131(11) 0.16040(8) 0.0212(4) Uani 1 1 d . . . . .
F6 F 0.4538(3) 0.21318(13) 0.16633(10) 0.0369(6) Uani 1 1 d . . . . .
F7 F 0.2722(3) 0.19173(18) 0.09043(12) 0.0559(9) Uani 1 1 d . . . . .
F8 F 0.1240(3) 0.3032(2) 0.05240(11) 0.0632(10) Uani 1 1 d . . . . .
F9 F 0.1601(3) 0.4385(2) 0.09302(13) 0.0684(11) Uani 1 1 d . . . . .
F10 F 0.3413(3) 0.46077(14) 0.16944(10) 0.0406(7) Uani 1 1 d . . . . .
N1 N 0.5867(3) 0.41410(15) 0.42846(10) 0.0130(5) Uani 1 1 d . . . . .
N2 N 0.4938(3) 0.25863(14) 0.40126(10) 0.0136(5) Uani 1 1 d . . . . .
N3 N 0.3487(3) 0.21718(17) 0.45841(12) 0.0245(7) Uani 1 1 d . . . . .
C1 C 0.6583(3) 0.39083(18) 0.18088(12) 0.0137(6) Uani 1 1 d . . . . .
C2 C 0.6681(3) 0.46302(18) 0.16720(13) 0.0169(7) Uani 1 1 d . . . . .
C3 C 0.7410(4) 0.48780(19) 0.13050(14) 0.0208(7) Uani 1 1 d . . . . .
C4 C 0.8061(4) 0.4388(2) 0.10406(14) 0.0205(7) Uani 1 1 d . . . . .
C5 C 0.7969(4) 0.36602(19) 0.11493(14) 0.0189(7) Uani 1 1 d . . . . .
C6 C 0.7244(3) 0.34421(18) 0.15247(13) 0.0156(6) Uani 1 1 d . . . . .
C7 C 0.4069(3) 0.3383(2) 0.17133(12) 0.0162(7) Uani 1 1 d . . . . .
C8 C 0.3837(4) 0.2713(2) 0.14908(14) 0.0226(8) Uani 1 1 d . . . . .
C9 C 0.2891(4) 0.2586(3) 0.11023(17) 0.0348(10) Uani 1 1 d . . . . .
C10 C 0.2140(4) 0.3150(3) 0.09112(17) 0.0405(12) Uani 1 1 d . . . . .
C11 C 0.2337(4) 0.3829(3) 0.11140(16) 0.0376(11) Uani 1 1 d . . . . .
C12 C 0.3285(4) 0.3925(2) 0.15058(15) 0.0261(8) Uani 1 1 d . . . . .
C13 C 0.4666(3) 0.46754(16) 0.34104(12) 0.0120(6) Uani 1 1 d . . . . .
C14 C 0.4149(3) 0.49694(18) 0.29580(13) 0.0147(6) Uani 1 1 d . . . . .
H14 H 0.3872 0.4658 0.2686 0.018 Uiso 1 1 calc R U . . .
C15 C 0.4031(3) 0.57252(18) 0.28977(13) 0.0178(7) Uani 1 1 d . . . . .
H15 H 0.3653 0.5915 0.2587 0.021 Uiso 1 1 calc R U . . .
C16 C 0.4452(4) 0.61954(19) 0.32805(14) 0.0191(7) Uani 1 1 d . . . . .
H16 H 0.4351 0.6704 0.3234 0.023 Uiso 1 1 calc R U . . .
C17 C 0.5029(3) 0.59233(17) 0.37381(13) 0.0158(6) Uani 1 1 d . . . . .
C18 C 0.5549(4) 0.63833(17) 0.41412(14) 0.0188(7) Uani 1 1 d . . . . .
H18 H 0.5462 0.6894 0.4108 0.023 Uiso 1 1 calc R U . . .
C19 C 0.6162(4) 0.61040(19) 0.45683(13) 0.0191(7) Uani 1 1 d . . . . .
H19 H 0.6498 0.6423 0.4828 0.023 Uiso 1 1 calc R U . . .
C20 C 0.6314(3) 0.53366(18) 0.46365(13) 0.0158(6) Uani 1 1 d . . . . .
C21 C 0.6975(4) 0.5009(2) 0.50607(13) 0.0197(7) Uani 1 1 d . . . . .
H21 H 0.7370 0.5300 0.5326 0.024 Uiso 1 1 calc R U . . .
C22 C 0.7051(4) 0.4265(2) 0.50915(13) 0.0194(7) Uani 1 1 d . . . . .
H22 H 0.7489 0.4039 0.5379 0.023 Uiso 1 1 calc R U . . .
C23 C 0.6476(3) 0.38458(18) 0.46948(13) 0.0167(7) Uani 1 1 d . . . . .
H23 H 0.6522 0.3332 0.4720 0.020 Uiso 1 1 calc R U . . .
C24 C 0.5770(3) 0.48787(17) 0.42505(12) 0.0131(6) Uani 1 1 d . . . . .
C25 C 0.5131(3) 0.51630(17) 0.37982(12) 0.0117(6) Uani 1 1 d . . . . .
C26 C 0.5601(4) 0.19647(18) 0.40640(13) 0.0182(7) Uani 1 1 d . . . . .
H26 H 0.6320 0.1892 0.3880 0.022 Uiso 1 1 calc R U . . .
C27 C 0.5245(4) 0.14293(19) 0.43822(15) 0.0237(8) Uani 1 1 d . . . . .
H27 H 0.5701 0.0984 0.4422 0.028 Uiso 1 1 calc R U . . .
C28 C 0.4192(4) 0.1569(2) 0.46417(15) 0.0282(9) Uani 1 1 d . . . . .
H28 H 0.3959 0.1215 0.4874 0.034 Uiso 1 1 calc R U . . .
C29 C 0.3878(3) 0.26531(18) 0.42607(13) 0.0154(6) Uani 1 1 d . . . . .
C30 C 0.7701(3) 0.29011(18) 0.32601(13) 0.0152(6) Uani 1 1 d . . . . .
C31 C 0.8097(3) 0.24984(18) 0.28648(14) 0.0184(7) Uani 1 1 d . . . . .
H31 H 0.7765 0.2607 0.2529 0.022 Uiso 1 1 calc R U . . .
C32 C 0.8980(4) 0.1938(2) 0.29582(16) 0.0238(8) Uani 1 1 d . . . . .
H32 H 0.9243 0.1664 0.2686 0.029 Uiso 1 1 calc R U . . .
C33 C 0.9475(4) 0.1777(2) 0.34460(16) 0.0255(8) Uani 1 1 d . . . . .
H33 H 1.0084 0.1398 0.3508 0.031 Uiso 1 1 calc R U . . .
C34 C 0.9084(4) 0.2170(2) 0.38426(15) 0.0246(8) Uani 1 1 d . . . . .
H34 H 0.9421 0.2059 0.4177 0.029 Uiso 1 1 calc R U . . .
C35 C 0.8197(3) 0.27269(19) 0.37520(14) 0.0188(7) Uani 1 1 d . . . . .
H35 H 0.7924 0.2992 0.4026 0.023 Uiso 1 1 calc R U . . .
C36 C 0.7587(3) 0.44600(18) 0.32884(13) 0.0156(6) Uani 1 1 d . . . . .
C37 C 0.8477(4) 0.4465(2) 0.37167(14) 0.0232(8) Uani 1 1 d . . . . .
H37 H 0.8650 0.4031 0.3903 0.028 Uiso 1 1 calc R U . . .
C38 C 0.9111(4) 0.5105(2) 0.38699(16) 0.0308(9) Uani 1 1 d . . . . .
H38 H 0.9703 0.5108 0.4164 0.037 Uiso 1 1 calc R U . . .
C39 C 0.8882(4) 0.5736(2) 0.35959(17) 0.0318(9) Uani 1 1 d . . . . .
H39 H 0.9313 0.6171 0.3702 0.038 Uiso 1 1 calc R U . . .
C40 C 0.8027(4) 0.5733(2) 0.31672(17) 0.0286(9) Uani 1 1 d . . . . .
H40 H 0.7878 0.6165 0.2977 0.034 Uiso 1 1 calc R U . . .
C41 C 0.7382(3) 0.50990(19) 0.30123(15) 0.0201(7) Uani 1 1 d . . . . .
H41 H 0.6797 0.5101 0.2716 0.024 Uiso 1 1 calc R U . . .
C42 C 0.2306(3) 0.34136(18) 0.27273(13) 0.0143(6) Uani 1 1 d . . . . .
C43 C 0.1734(3) 0.39954(18) 0.29531(13) 0.0155(6) Uani 1 1 d . . . . .
H43 H 0.2188 0.4236 0.3231 0.019 Uiso 1 1 calc R U . . .
C44 C 0.0513(3) 0.42259(19) 0.27757(14) 0.0181(7) Uani 1 1 d . . . . .
H44 H 0.0132 0.4623 0.2931 0.022 Uiso 1 1 calc R U . . .
C45 C -0.0152(3) 0.3874(2) 0.23705(15) 0.0222(7) Uani 1 1 d . . . . .
H45 H -0.0981 0.4040 0.2243 0.027 Uiso 1 1 calc R U . . .
C46 C 0.0388(3) 0.3282(2) 0.21510(14) 0.0203(7) Uani 1 1 d . . . . .
H46 H -0.0079 0.3035 0.1879 0.024 Uiso 1 1 calc R U . . .
C47 C 0.1614(3) 0.30520(19) 0.23296(14) 0.0179(7) Uani 1 1 d . . . . .
H47 H 0.1982 0.2646 0.2180 0.021 Uiso 1 1 calc R U . . .
C48 C 0.3903(3) 0.21742(17) 0.29536(12) 0.0137(6) Uani 1 1 d . . . . .
C49 C 0.2950(3) 0.18540(18) 0.32058(13) 0.0164(7) Uani 1 1 d . . . . .
H49 H 0.2274 0.2143 0.3309 0.020 Uiso 1 1 calc R U . . .
C50 C 0.2984(3) 0.11181(19) 0.33062(13) 0.0183(7) Uani 1 1 d . . . . .
H50 H 0.2338 0.0905 0.3483 0.022 Uiso 1 1 calc R U . . .
C51 C 0.3961(4) 0.06876(19) 0.31495(14) 0.0208(7) Uani 1 1 d . . . . .
H51 H 0.3981 0.0182 0.3219 0.025 Uiso 1 1 calc R U . . .
C52 C 0.4905(4) 0.09993(19) 0.28921(14) 0.0201(7) Uani 1 1 d . . . . .
H52 H 0.5569 0.0707 0.2783 0.024 Uiso 1 1 calc R U . . .
C53 C 0.4880(3) 0.17445(18) 0.27926(13) 0.0174(7) Uani 1 1 d . . . . .
H53 H 0.5526 0.1958 0.2616 0.021 Uiso 1 1 calc R U . . .
Cl1 Cl 0.51659(16) 0.15229(10) 0.00142(6) 0.0664(5) Uani 1 1 d D . . . .
Cl2 Cl 0.51739(15) 0.30537(11) 0.03106(6) 0.0666(5) Uani 1 1 d D . . . .
C54 C 0.6099(5) 0.2263(3) 0.0262(2) 0.0514(14) Uani 1 1 d D . . . .
H54A H 0.6515 0.2132 0.0599 0.062 Uiso 1 1 calc R U . . .
H54B H 0.6785 0.2362 0.0043 0.062 Uiso 1 1 calc R U . . .
Cl3 Cl 0.4440(7) 0.5107(4) 0.0518(3) 0.0767(15) Uani 0.25 1 d D . P . .
Cl4 Cl 0.6259(7) 0.5087(5) -0.0150(3) 0.0767(15) Uani 0.25 1 d D . P . .
C55 C 0.4586(18) 0.496(2) -0.0133(8) 0.088(10) Uani 0.25 1 d D U P . .
H55A H 0.4655 0.4513 -0.0331 0.105 Uiso 0.25 1 calc R U P . .
H55B H 0.4444 0.5380 -0.0363 0.105 Uiso 0.25 1 calc R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C7 2.053(3) . ?
Pt1 C1 2.076(3) . ?
Pt1 P2 2.2963(8) . ?
Pt1 P1 2.3409(9) . ?
Pt2 C13 2.037(3) . ?
Pt2 N1 2.156(3) . ?
Pt2 N2 2.169(3) . ?
Pt2 P2 2.3072(8) . ?
Pt2 P1 2.3673(9) . ?
Pt2 S 2.4567(9) . ?
P1 C30 1.826(3) . ?
P1 C36 1.835(3) . ?
P2 C48 1.821(3) . ?
P2 C42 1.826(3) . ?
S C29 1.735(3) . ?
F1 C2 1.358(4) . ?
F2 C3 1.348(4) . ?
F3 C4 1.347(4) . ?
F4 C5 1.355(4) . ?
F5 C6 1.362(4) . ?
F6 C8 1.354(5) . ?
F7 C9 1.346(5) . ?
F8 C10 1.345(5) . ?
F9 C11 1.344(6) . ?
F10 C12 1.358(5) . ?
N1 C23 1.328(4) . ?
N1 C24 1.366(4) . ?
N2 C26 1.340(4) . ?
N2 C29 1.357(4) . ?
N3 C29 1.333(5) . ?
N3 C28 1.334(5) . ?
C1 C6 1.380(5) . ?
C1 C2 1.387(5) . ?
C2 C3 1.382(5) . ?
C3 C4 1.372(5) . ?
C4 C5 1.379(5) . ?
C5 C6 1.380(5) . ?
C7 C12 1.375(5) . ?
C7 C8 1.381(5) . ?
C8 C9 1.380(6) . ?
C9 C10 1.371(7) . ?
C10 C11 1.372(7) . ?
C11 C12 1.379(6) . ?
C13 C14 1.385(5) . ?
C13 C25 1.420(4) . ?
C14 C15 1.407(5) . ?
C15 C16 1.379(5) . ?
C16 C17 1.401(5) . ?
C17 C25 1.414(4) . ?
C17 C18 1.435(5) . ?
C18 C19 1.353(5) . ?
C19 C20 1.433(5) . ?
C20 C21 1.404(5) . ?
C20 C24 1.408(5) . ?
C21 C22 1.376(5) . ?
C22 C23 1.399(5) . ?
C24 C25 1.421(4) . ?
C26 C27 1.380(5) . ?
C27 C28 1.386(6) . ?
C30 C31 1.391(5) . ?
C30 C35 1.401(5) . ?
C31 C32 1.392(5) . ?
C32 C33 1.386(6) . ?
C33 C34 1.382(6) . ?
C34 C35 1.389(5) . ?
C36 C41 1.395(5) . ?
C36 C37 1.401(5) . ?
C37 C38 1.395(5) . ?
C38 C39 1.382(6) . ?
C39 C40 1.381(6) . ?
C40 C41 1.392(5) . ?
C42 C47 1.394(5) . ?
C42 C43 1.396(5) . ?
C43 C44 1.385(5) . ?
C44 C45 1.388(5) . ?
C45 C46 1.387(5) . ?
C46 C47 1.389(5) . ?
C48 C49 1.393(5) . ?
C48 C53 1.397(5) . ?
C49 C50 1.383(5) . ?
C50 C51 1.394(5) . ?
C51 C52 1.387(5) . ?
C52 C53 1.399(5) . ?
Cl1 C54 1.767(6) . ?
Cl2 C54 1.763(6) . ?
Cl3 Cl4 1.219(11) 3_665 ?
Cl3 C55 1.53(2) 3_665 ?
Cl3 C55 1.783(18) . ?
Cl4 Cl3 1.219(11) 3_665 ?
Cl4 C55 1.23(2) 3_665 ?
Cl4 C55 1.773(18) . ?
C55 C55 1.07(4) 3_665 ?
C55 Cl4 1.23(2) 3_665 ?
C55 Cl3 1.53(2) 3_665 ?

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
C7 Pt1 C1 85.14(13) . . ?
C7 Pt1 P2 92.63(10) . . ?
C1 Pt1 P2 177.55(9) . . ?
C7 Pt1 P1 170.32(10) . . ?
C1 Pt1 P1 104.54(9) . . ?
P2 Pt1 P1 77.69(3) . . ?
C13 Pt2 N1 80.94(12) . . ?
C13 Pt2 N2 165.78(12) . . ?
N1 Pt2 N2 91.20(10) . . ?
C13 Pt2 P2 94.53(9) . . ?
N1 Pt2 P2 174.31(8) . . ?
N2 Pt2 P2 93.93(8) . . ?
C13 Pt2 P1 83.50(9) . . ?
N1 Pt2 P1 99.01(8) . . ?
N2 Pt2 P1 109.57(8) . . ?
P2 Pt2 P1 76.95(3) . . ?
C13 Pt2 S 100.75(9) . . ?
N1 Pt2 S 88.59(8) . . ?
N2 Pt2 S 67.02(8) . . ?
P2 Pt2 S 95.68(3) . . ?
P1 Pt2 S 171.84(3) . . ?
C30 P1 C36 103.67(16) . . ?
C30 P1 Pt1 113.90(11) . . ?
C36 P1 Pt1 123.39(12) . . ?
C30 P1 Pt2 109.47(11) . . ?
C36 P1 Pt2 107.36(11) . . ?
Pt1 P1 Pt2 98.40(3) . . ?
C48 P2 C42 103.31(15) . . ?
C48 P2 Pt1 115.09(11) . . ?
C42 P2 Pt1 116.26(11) . . ?
C48 P2 Pt2 106.97(11) . . ?
C42 P2 Pt2 113.78(11) . . ?
Pt1 P2 Pt2 101.47(3) . . ?
C29 S Pt2 80.45(12) . . ?
C23 N1 C24 119.3(3) . . ?
C23 N1 Pt2 129.4(2) . . ?
C24 N1 Pt2 111.3(2) . . ?
C26 N2 C29 118.0(3) . . ?
C26 N2 Pt2 141.4(2) . . ?
C29 N2 Pt2 100.6(2) . . ?
C29 N3 C28 115.2(3) . . ?
C6 C1 C2 113.4(3) . . ?
C6 C1 Pt1 122.6(2) . . ?
C2 C1 Pt1 123.6(2) . . ?
F1 C2 C3 115.3(3) . . ?
F1 C2 C1 120.2(3) . . ?
C3 C2 C1 124.5(3) . . ?
F2 C3 C4 119.2(3) . . ?
F2 C3 C2 121.6(3) . . ?
C4 C3 C2 119.3(3) . . ?
F3 C4 C3 120.8(3) . . ?
F3 C4 C5 120.3(3) . . ?
C3 C4 C5 118.9(3) . . ?
F4 C5 C4 119.4(3) . . ?
F4 C5 C6 121.1(3) . . ?
C4 C5 C6 119.5(3) . . ?
F5 C6 C5 115.5(3) . . ?
F5 C6 C1 120.2(3) . . ?
C5 C6 C1 124.4(3) . . ?
C12 C7 C8 113.9(3) . . ?
C12 C7 Pt1 122.8(3) . . ?
C8 C7 Pt1 123.2(3) . . ?
F6 C8 C9 116.3(4) . . ?
F6 C8 C7 119.7(3) . . ?
C9 C8 C7 123.9(4) . . ?
F7 C9 C10 120.0(4) . . ?
F7 C9 C8 120.5(5) . . ?
C10 C9 C8 119.4(4) . . ?
F8 C10 C9 119.6(5) . . ?
F8 C10 C11 121.1(5) . . ?
C9 C10 C11 119.2(4) . . ?
F9 C11 C10 119.6(4) . . ?
F9 C11 C12 121.4(5) . . ?
C10 C11 C12 119.0(4) . . ?
F10 C12 C7 119.5(3) . . ?
F10 C12 C11 115.9(4) . . ?
C7 C12 C11 124.6(4) . . ?
C14 C13 C25 117.7(3) . . ?
C14 C13 Pt2 130.5(2) . . ?
C25 C13 Pt2 111.9(2) . . ?
C13 C14 C15 120.7(3) . . ?
C16 C15 C14 121.3(3) . . ?
C15 C16 C17 120.0(3) . . ?
C16 C17 C25 118.4(3) . . ?
C16 C17 C18 122.8(3) . . ?
C25 C17 C18 118.8(3) . . ?
C19 C18 C17 121.3(3) . . ?
C18 C19 C20 121.3(3) . . ?
C21 C20 C24 117.6(3) . . ?
C21 C20 C19 124.5(3) . . ?
C24 C20 C19 117.9(3) . . ?
C22 C21 C20 119.9(3) . . ?
C21 C22 C23 119.2(3) . . ?
N1 C23 C22 122.2(3) . . ?
N1 C24 C20 121.7(3) . . ?
N1 C24 C25 116.7(3) . . ?
C20 C24 C25 121.5(3) . . ?
C17 C25 C13 121.9(3) . . ?
C17 C25 C24 119.1(3) . . ?
C13 C25 C24 119.0(3) . . ?
N2 C26 C27 120.3(3) . . ?
C26 C27 C28 117.1(3) . . ?
N3 C28 C27 123.8(4) . . ?
N3 C29 N2 125.3(3) . . ?
N3 C29 S 123.1(3) . . ?
N2 C29 S 111.5(2) . . ?
C31 C30 C35 118.7(3) . . ?
C31 C30 P1 117.7(3) . . ?
C35 C30 P1 123.4(3) . . ?
C30 C31 C32 120.3(3) . . ?
C33 C32 C31 120.3(4) . . ?
C34 C33 C32 120.0(3) . . ?
C33 C34 C35 120.0(4) . . ?
C34 C35 C30 120.7(3) . . ?
C41 C36 C37 118.7(3) . . ?
C41 C36 P1 119.1(3) . . ?
C37 C36 P1 122.0(3) . . ?
C38 C37 C36 120.1(4) . . ?
C39 C38 C37 120.3(4) . . ?
C40 C39 C38 119.9(4) . . ?
C39 C40 C41 120.3(4) . . ?
C40 C41 C36 120.5(4) . . ?
C47 C42 C43 119.0(3) . . ?
C47 C42 P2 117.0(3) . . ?
C43 C42 P2 123.6(3) . . ?
C44 C43 C42 120.7(3) . . ?
C43 C44 C45 119.7(3) . . ?
C46 C45 C44 120.3(3) . . ?
C45 C46 C47 119.9(3) . . ?
C46 C47 C42 120.4(3) . . ?
C49 C48 C53 119.6(3) . . ?
C49 C48 P2 121.3(3) . . ?
C53 C48 P2 118.9(3) . . ?
C50 C49 C48 120.3(3) . . ?
C49 C50 C51 120.3(3) . . ?
C52 C51 C50 119.8(3) . . ?
C51 C52 C53 120.1(3) . . ?
C48 C53 C52 119.9(3) . . ?
Cl2 C54 Cl1 112.3(3) . . ?
Cl4 Cl3 C55 79.6(10) 3_665 3_665 ?
Cl4 Cl3 C55 43.3(8) 3_665 . ?
C55 Cl3 C55 36.8(13) 3_665 . ?
Cl3 Cl4 C55 93.7(11) 3_665 3_665 ?
Cl3 Cl4 C55 57.9(8) 3_665 . ?
C55 Cl4 C55 36.4(15) 3_665 . ?
C55 C55 Cl4 101(2) 3_665 3_665 ?
C55 C55 Cl3 85(2) 3_665 3_665 ?
Cl4 C55 Cl3 170(3) 3_665 3_665 ?
C55 C55 Cl4 42.7(16) 3_665 . ?
Cl4 C55 Cl4 143.6(15) 3_665 . ?
Cl3 C55 Cl4 42.5(6) 3_665 . ?
C55 C55 Cl3 58.5(18) 3_665 . ?
Cl4 C55 Cl3 43.0(8) 3_665 . ?
Cl3 C55 Cl3 143.2(13) 3_665 . ?
Cl4 C55 Cl3 100.9(10) . . ?

_refine_diff_density_max         1.985
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.134

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_8_AMT1144
_database_code_depnum_ccdc_archive 'CCDC 1982330'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC  Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2020-02-06 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H28 F10 N O P2 Pt2, C16 H36 N'
_chemical_formula_sum            'C65 H64 F10 N2 O P2 Pt2'
_chemical_formula_weight         1531.30

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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.6820(2)
_cell_length_b                   16.6776(2)
_cell_length_c                   24.2836(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.7564(13)
_cell_angle_gamma                90
_cell_volume                     5891.71(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    21234
_cell_measurement_theta_min      2.8600
_cell_measurement_theta_max      28.1370

_exptl_crystal_description       plate
_exptl_crystal_colour            'clear pale green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    4.874
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.27610
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            57979
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.816
_diffrn_reflns_theta_max         28.361
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.860
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.860
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.860
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0349248000
_diffrn_orient_matrix_UB_12      0.0219834000
_diffrn_orient_matrix_UB_13      -0.0108271000
_diffrn_orient_matrix_UB_21      -0.0306942000
_diffrn_orient_matrix_UB_22      0.0081055000
_diffrn_orient_matrix_UB_23      -0.0245045000
_diffrn_orient_matrix_UB_31      -0.0146288000
_diffrn_orient_matrix_UB_32      0.0355073000
_diffrn_orient_matrix_UB_33      0.0123029000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     34.00  86.00   1.00   13.00    --   14.12 179.00 120.00   52
  2  ω    -55.00  83.00   1.00   13.00    --   14.12   0.00 -60.00  138
  3  ω    -55.00  33.00   1.00   13.00    --   14.12 -37.00  60.00   88
  4  ω    -25.00  27.00   1.00   13.00    --  -11.85 -99.00  30.00   52
  5  ω    -25.00   0.00   1.00   13.00    --  -11.85 -99.00 -90.00   25
  6  ω    -39.00  56.00   1.00   13.00    --  -11.85  77.00-150.00   95
;
_reflns_number_total             12680
_reflns_number_gt                11158
_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       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0201P)²+4.3917P] 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         12680
_refine_ls_number_parameters     757
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0231
_refine_ls_wR_factor_ref         0.0486
_refine_ls_wR_factor_gt          0.0463
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.25738(2) 0.71779(2) 0.16347(2) 0.01352(3) Uani 1 1 d . . . . .
Pt2 Pt 0.05477(2) 0.83379(2) 0.08241(2) 0.01348(3) Uani 1 1 d . . . . .
P1 P 0.20451(5) 0.83868(4) 0.18560(3) 0.01551(15) Uani 1 1 d . . . . .
P2 P 0.14140(5) 0.72073(4) 0.08789(3) 0.01347(15) Uani 1 1 d . . . . .
F1 F 0.45397(12) 0.80621(10) 0.18310(7) 0.0247(4) Uani 1 1 d . . . . .
F2 F 0.59110(12) 0.80648(11) 0.26775(7) 0.0296(4) Uani 1 1 d . . . . .
F3 F 0.57873(13) 0.71502(10) 0.36044(7) 0.0319(4) Uani 1 1 d . . . . .
F4 F 0.42510(13) 0.62957(11) 0.36783(7) 0.0342(5) Uani 1 1 d . . . . .
F5 F 0.28551(12) 0.62953(10) 0.28393(7) 0.0300(4) Uani 1 1 d . . . . .
F6 F 0.18478(12) 0.54052(9) 0.18911(7) 0.0249(4) Uani 1 1 d . . . . .
F7 F 0.23690(14) 0.39308(10) 0.16454(8) 0.0379(5) Uani 1 1 d . . . . .
F8 F 0.38181(15) 0.37166(10) 0.10640(8) 0.0450(6) Uani 1 1 d . . . . .
F9 F 0.47511(13) 0.50126(12) 0.07559(8) 0.0394(5) Uani 1 1 d . . . . .
F10 F 0.42671(12) 0.64972(10) 0.10084(7) 0.0274(4) Uani 1 1 d . . . . .
N1 N -0.01034(16) 0.94521(13) 0.07282(9) 0.0159(5) Uani 1 1 d . . . . .
O O 0.15913(14) 0.89005(10) 0.13602(7) 0.0176(4) Uani 1 1 d . . . . .
C1 C 0.3629(2) 0.71800(15) 0.22948(11) 0.0168(6) Uani 1 1 d . . . . .
C2 C 0.4430(2) 0.76058(16) 0.22847(12) 0.0185(6) Uani 1 1 d . . . . .
C3 C 0.5149(2) 0.76190(17) 0.27145(12) 0.0210(6) Uani 1 1 d . . . . .
C4 C 0.5090(2) 0.71764(17) 0.31837(12) 0.0225(7) Uani 1 1 d . . . . .
C5 C 0.4306(2) 0.67366(17) 0.32156(12) 0.0226(7) Uani 1 1 d . . . . .
C6 C 0.3606(2) 0.67451(16) 0.27792(12) 0.0206(6) Uani 1 1 d . . . . .
C7 C 0.3004(2) 0.60269(16) 0.14440(11) 0.0174(6) Uani 1 1 d . . . . .
C8 C 0.2572(2) 0.53429(16) 0.16026(12) 0.0193(6) Uani 1 1 d . . . . .
C9 C 0.2833(2) 0.45711(16) 0.14822(13) 0.0250(7) Uani 1 1 d . . . . .
C10 C 0.3559(2) 0.44625(17) 0.11928(13) 0.0293(8) Uani 1 1 d . . . . .
C11 C 0.4026(2) 0.51159(19) 0.10348(13) 0.0262(7) Uani 1 1 d . . . . .
C12 C 0.3747(2) 0.58759(17) 0.11685(12) 0.0214(7) Uani 1 1 d . . . . .
C13 C 0.2886(2) 0.90700(16) 0.22249(12) 0.0199(6) Uani 1 1 d . . . . .
C14 C 0.3154(2) 0.90410(18) 0.27942(12) 0.0253(7) Uani 1 1 d . . . . .
H14 H 0.2858 0.8680 0.3015 0.030 Uiso 1 1 calc R U . . .
C15 C 0.3850(2) 0.9534(2) 0.30444(14) 0.0340(8) Uani 1 1 d . . . . .
H15 H 0.4027 0.9510 0.3435 0.041 Uiso 1 1 calc R U . . .
C16 C 0.4287(2) 1.0060(2) 0.27264(16) 0.0377(9) Uani 1 1 d . . . . .
H16 H 0.4765 1.0396 0.2898 0.045 Uiso 1 1 calc R U . . .
C17 C 0.4027(2) 1.00970(19) 0.21585(15) 0.0341(8) Uani 1 1 d . . . . .
H17 H 0.4324 1.0460 0.1940 0.041 Uiso 1 1 calc R U . . .
C18 C 0.3334(2) 0.96046(17) 0.19093(13) 0.0250(7) Uani 1 1 d . . . . .
H18 H 0.3160 0.9630 0.1518 0.030 Uiso 1 1 calc R U . . .
C19 C 0.1194(2) 0.82795(17) 0.23351(11) 0.0189(6) Uani 1 1 d . . . . .
C20 C 0.0646(2) 0.89268(19) 0.24381(13) 0.0271(7) Uani 1 1 d . . . . .
H20 H 0.0732 0.9429 0.2268 0.033 Uiso 1 1 calc R U . . .
C21 C -0.0023(2) 0.8849(2) 0.27845(14) 0.0343(8) Uani 1 1 d . . . . .
H21 H -0.0393 0.9297 0.2852 0.041 Uiso 1 1 calc R U . . .
C22 C -0.0153(2) 0.8121(2) 0.30330(14) 0.0363(9) Uani 1 1 d . . . . .
H22 H -0.0606 0.8069 0.3276 0.044 Uiso 1 1 calc R U . . .
C23 C 0.0378(2) 0.7468(2) 0.29279(13) 0.0324(8) Uani 1 1 d . . . . .
H23 H 0.0283 0.6966 0.3096 0.039 Uiso 1 1 calc R U . . .
C24 C 0.1046(2) 0.75420(18) 0.25798(12) 0.0235(7) Uani 1 1 d . . . . .
H24 H 0.1404 0.7089 0.2507 0.028 Uiso 1 1 calc R U . . .
C25 C 0.1924(2) 0.72121(15) 0.02266(11) 0.0149(6) Uani 1 1 d . . . . .
C26 C 0.2802(2) 0.75106(18) 0.02283(12) 0.0257(7) Uani 1 1 d . . . . .
H26 H 0.3157 0.7654 0.0571 0.031 Uiso 1 1 calc R U . . .
C27 C 0.3172(3) 0.7602(2) -0.02634(14) 0.0359(8) Uani 1 1 d . . . . .
H27 H 0.3776 0.7810 -0.0255 0.043 Uiso 1 1 calc R U . . .
C28 C 0.2671(2) 0.73955(19) -0.07644(13) 0.0316(8) Uani 1 1 d . . . . .
H28 H 0.2926 0.7464 -0.1101 0.038 Uiso 1 1 calc R U . . .
C29 C 0.1803(2) 0.70902(16) -0.07742(12) 0.0236(7) Uani 1 1 d . . . . .
H29 H 0.1460 0.6937 -0.1118 0.028 Uiso 1 1 calc R U . . .
C30 C 0.1424(2) 0.70034(16) -0.02842(12) 0.0192(6) Uani 1 1 d . . . . .
H30 H 0.0818 0.6800 -0.0296 0.023 Uiso 1 1 calc R U . . .
C31 C 0.07803(19) 0.62610(15) 0.08729(11) 0.0141(6) Uani 1 1 d . . . . .
C32 C 0.0096(2) 0.61931(16) 0.12114(12) 0.0189(6) Uani 1 1 d . . . . .
H32 H -0.0067 0.6645 0.1415 0.023 Uiso 1 1 calc R U . . .
C33 C -0.0353(2) 0.54675(17) 0.12541(13) 0.0252(7) Uani 1 1 d . . . . .
H33 H -0.0821 0.5425 0.1487 0.030 Uiso 1 1 calc R U . . .
C34 C -0.0122(2) 0.48053(17) 0.09577(12) 0.0242(7) Uani 1 1 d . . . . .
H34 H -0.0432 0.4310 0.0987 0.029 Uiso 1 1 calc R U . . .
C35 C 0.0556(2) 0.48670(16) 0.06221(12) 0.0210(7) Uani 1 1 d . . . . .
H35 H 0.0712 0.4414 0.0417 0.025 Uiso 1 1 calc R U . . .
C36 C 0.1017(2) 0.55900(15) 0.05798(11) 0.0175(6) Uani 1 1 d . . . . .
H36 H 0.1493 0.5626 0.0352 0.021 Uiso 1 1 calc R U . . .
C37 C 0.0208(2) 1.01482(16) 0.09446(11) 0.0190(6) Uani 1 1 d . . . . .
H37 H 0.0757 1.0158 0.1201 0.023 Uiso 1 1 calc R U . . .
C38 C -0.0257(2) 1.08676(16) 0.08021(12) 0.0226(7) Uani 1 1 d . . . . .
H38 H -0.0026 1.1358 0.0964 0.027 Uiso 1 1 calc R U . . .
C39 C -0.1046(2) 1.08645(17) 0.04300(12) 0.0228(7) Uani 1 1 d . . . . .
H39 H -0.1364 1.1352 0.0334 0.027 Uiso 1 1 calc R U . . .
C40 C -0.1383(2) 1.01382(16) 0.01912(12) 0.0205(6) Uani 1 1 d . . . . .
C41 C -0.2192(2) 1.00547(18) -0.02033(12) 0.0250(7) Uani 1 1 d . . . . .
H41 H -0.2545 1.0516 -0.0321 0.030 Uiso 1 1 calc R U . . .
C42 C -0.2463(2) 0.93282(18) -0.04116(12) 0.0241(7) Uani 1 1 d . . . . .
H42 H -0.3013 0.9291 -0.0666 0.029 Uiso 1 1 calc R U . . .
C43 C -0.1946(2) 0.86109(17) -0.02607(11) 0.0181(6) Uani 1 1 d . . . . .
C44 C -0.2182(2) 0.78564(16) -0.04972(11) 0.0195(6) Uani 1 1 d . . . . .
H44 H -0.2721 0.7795 -0.0759 0.023 Uiso 1 1 calc R U . . .
C45 C -0.1626(2) 0.72096(17) -0.03456(12) 0.0204(6) Uani 1 1 d . . . . .
H45 H -0.1782 0.6702 -0.0509 0.024 Uiso 1 1 calc R U . . .
C46 C -0.0830(2) 0.72793(16) 0.00445(11) 0.0170(6) Uani 1 1 d . . . . .
H46 H -0.0472 0.6813 0.0142 0.020 Uiso 1 1 calc R U . . .
C47 C -0.0548(2) 0.80039(16) 0.02928(11) 0.0156(6) Uani 1 1 d . . . . .
C48 C -0.11428(19) 0.86698(16) 0.01262(11) 0.0152(6) Uani 1 1 d . . . . .
C49 C -0.0883(2) 0.94398(16) 0.03513(11) 0.0178(6) Uani 1 1 d . . . . .
N2 N 0.72074(17) 0.74415(14) 0.13621(10) 0.0204(5) Uani 1 1 d . . . . .
C50 C 0.7863(2) 0.81513(17) 0.14064(12) 0.0218(7) Uani 1 1 d . . . . .
H50A H 0.7768 0.8449 0.1050 0.026 Uiso 1 1 calc R U . . .
H50B H 0.8500 0.7943 0.1455 0.026 Uiso 1 1 calc R U . . .
C51 C 0.7769(2) 0.87422(18) 0.18786(12) 0.0266(7) Uani 1 1 d . . . . .
H51A H 0.7114 0.8788 0.1931 0.032 Uiso 1 1 calc R U . . .
H51B H 0.8115 0.8537 0.2229 0.032 Uiso 1 1 calc R U . . .
C52 C 0.8136(2) 0.95686(19) 0.17501(14) 0.0325(8) Uani 1 1 d . . . . .
H52A H 0.8235 0.9889 0.2096 0.039 Uiso 1 1 calc R U . . .
H52B H 0.8737 0.9506 0.1613 0.039 Uiso 1 1 calc R U . . .
C53 C 0.7485(3) 1.0015(2) 0.13193(15) 0.0427(10) Uani 1 1 d . . . . .
H53A H 0.7748 1.0539 0.1248 0.064 Uiso 1 1 calc R U . . .
H53B H 0.6894 1.0091 0.1457 0.064 Uiso 1 1 calc R U . . .
H53C H 0.7391 0.9704 0.0974 0.064 Uiso 1 1 calc R U . . .
C54 C 0.7469(2) 0.68918(17) 0.09105(12) 0.0235(7) Uani 1 1 d . . . . .
H54A H 0.7335 0.7172 0.0549 0.028 Uiso 1 1 calc R U . . .
H54B H 0.8140 0.6797 0.0980 0.028 Uiso 1 1 calc R U . . .
C55 C 0.6987(2) 0.60882(18) 0.08636(12) 0.0263(7) Uani 1 1 d . . . . .
H55A H 0.6313 0.6172 0.0814 0.032 Uiso 1 1 calc R U . . .
H55B H 0.7157 0.5781 0.1211 0.032 Uiso 1 1 calc R U . . .
C56 C 0.7250(2) 0.56097(18) 0.03737(12) 0.0279(7) Uani 1 1 d . . . . .
H56A H 0.6999 0.5880 0.0023 0.033 Uiso 1 1 calc R U . . .
H56B H 0.7928 0.5597 0.0395 0.033 Uiso 1 1 calc R U . . .
C57 C 0.6886(2) 0.47550(18) 0.03684(14) 0.0320(8) Uani 1 1 d . . . . .
H57A H 0.7067 0.4467 0.0049 0.048 Uiso 1 1 calc R U . . .
H57B H 0.6214 0.4765 0.0341 0.048 Uiso 1 1 calc R U . . .
H57C H 0.7142 0.4482 0.0712 0.048 Uiso 1 1 calc R U . . .
C58 C 0.7278(2) 0.70139(18) 0.19224(12) 0.0227(7) Uani 1 1 d . . . . .
H58A H 0.7078 0.7387 0.2199 0.027 Uiso 1 1 calc R U . . .
H58B H 0.6849 0.6553 0.1888 0.027 Uiso 1 1 calc R U . . .
C59 C 0.8227(2) 0.67156(18) 0.21349(12) 0.0263(7) Uani 1 1 d . . . . .
H59A H 0.8629 0.7179 0.2253 0.032 Uiso 1 1 calc R U . . .
H59B H 0.8486 0.6439 0.1830 0.032 Uiso 1 1 calc R U . . .
C60 C 0.8223(2) 0.61376(18) 0.26254(13) 0.0297(7) Uani 1 1 d . . . . .
H60A H 0.7827 0.5673 0.2503 0.036 Uiso 1 1 calc R U . . .
H60B H 0.8855 0.5934 0.2735 0.036 Uiso 1 1 calc R U . . .
C61 C 0.7886(3) 0.6511(2) 0.31293(13) 0.0368(9) Uani 1 1 d . . . . .
H61A H 0.7897 0.6108 0.3424 0.055 Uiso 1 1 calc R U . . .
H61B H 0.7255 0.6705 0.3028 0.055 Uiso 1 1 calc R U . . .
H61C H 0.8286 0.6960 0.3262 0.055 Uiso 1 1 calc R U . . .
C62 C 0.6225(2) 0.77238(18) 0.12185(12) 0.0249(7) Uani 1 1 d . . . . .
H62A H 0.6089 0.8106 0.1509 0.030 Uiso 1 1 calc R U . . .
H62B H 0.5814 0.7256 0.1234 0.030 Uiso 1 1 calc R U . . .
C63 C 0.5986(2) 0.8125(2) 0.06548(14) 0.0342(8) Uani 1 1 d D . . . .
H63A H 0.6001 0.7715 0.0362 0.041 Uiso 0.5 1 calc R U P A 1
H63B H 0.6465 0.8527 0.0609 0.041 Uiso 0.5 1 calc R U P A 1
H63C H 0.5824 0.7716 0.0362 0.041 Uiso 0.5 1 calc R U P B 2
H63D H 0.6516 0.8438 0.0561 0.041 Uiso 0.5 1 calc R U P B 2
C64 C 0.5049(4) 0.8538(5) 0.0566(4) 0.040(3) Uani 0.5 1 d D U P C 1
H64A H 0.4576 0.8180 0.0686 0.048 Uiso 0.5 1 calc R U P C 1
H64B H 0.4875 0.8661 0.0167 0.048 Uiso 0.5 1 calc R U P C 1
C65 C 0.5109(5) 0.9317(4) 0.0908(3) 0.0433(19) Uani 0.5 1 d D . P C 1
H65A H 0.4504 0.9574 0.0870 0.065 Uiso 0.5 1 calc R U P C 1
H65B H 0.5553 0.9681 0.0772 0.065 Uiso 0.5 1 calc R U P C 1
H65C H 0.5309 0.9193 0.1300 0.065 Uiso 0.5 1 calc R U P C 1
C64' C 0.5153(5) 0.8687(5) 0.0695(3) 0.024(2) Uani 0.5 1 d D U P C 2
H64C H 0.4600 0.8360 0.0725 0.029 Uiso 0.5 1 calc R U P C 2
H64D H 0.5278 0.9021 0.1034 0.029 Uiso 0.5 1 calc R U P C 2
C65' C 0.4968(6) 0.9236(5) 0.0183(3) 0.051(2) Uani 0.5 1 d D . P C 2
H65D H 0.4679 0.9733 0.0286 0.076 Uiso 0.5 1 calc R U P C 2
H65E H 0.4558 0.8962 -0.0110 0.076 Uiso 0.5 1 calc R U P C 2
H65F H 0.5551 0.9361 0.0047 0.076 Uiso 0.5 1 calc R U P C 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 C1 2.074(3) . ?
Pt1 C7 2.092(3) . ?
Pt1 P1 2.2515(7) . ?
Pt1 P2 2.3296(7) . ?
Pt2 C47 2.001(3) . ?
Pt2 N1 2.088(2) . ?
Pt2 O 2.0938(18) . ?
Pt2 P2 2.2683(7) . ?
P1 O 1.5527(19) . ?
P1 C13 1.824(3) . ?
P1 C19 1.828(3) . ?
P2 C31 1.831(3) . ?
P2 C25 1.841(3) . ?
F1 C2 1.366(3) . ?
F2 C3 1.356(3) . ?
F3 C4 1.346(3) . ?
F4 C5 1.354(3) . ?
F5 C6 1.357(3) . ?
F6 C8 1.355(3) . ?
F7 C9 1.354(3) . ?
F8 C10 1.350(3) . ?
F9 C11 1.348(4) . ?
F10 C12 1.374(3) . ?
N1 C37 1.330(3) . ?
N1 C49 1.366(4) . ?
C1 C2 1.377(4) . ?
C1 C6 1.386(4) . ?
C2 C3 1.380(4) . ?
C3 C4 1.370(4) . ?
C4 C5 1.376(4) . ?
C5 C6 1.374(4) . ?
C7 C12 1.378(4) . ?
C7 C8 1.385(4) . ?
C8 C9 1.385(4) . ?
C9 C10 1.367(5) . ?
C10 C11 1.369(5) . ?
C11 C12 1.384(4) . ?
C13 C14 1.386(4) . ?
C13 C18 1.397(4) . ?
C14 C15 1.386(4) . ?
C15 C16 1.382(5) . ?
C16 C17 1.382(5) . ?
C17 C18 1.382(4) . ?
C19 C20 1.389(4) . ?
C19 C24 1.396(4) . ?
C20 C21 1.383(5) . ?
C21 C22 1.381(5) . ?
C22 C23 1.382(5) . ?
C23 C24 1.384(4) . ?
C25 C26 1.382(4) . ?
C25 C30 1.397(4) . ?
C26 C27 1.385(4) . ?
C27 C28 1.378(5) . ?
C28 C29 1.369(4) . ?
C29 C30 1.388(4) . ?
C31 C32 1.386(4) . ?
C31 C36 1.395(4) . ?
C32 C33 1.389(4) . ?
C33 C34 1.385(4) . ?
C34 C35 1.373(4) . ?
C35 C36 1.393(4) . ?
C37 C38 1.401(4) . ?
C38 C39 1.369(4) . ?
C39 C40 1.404(4) . ?
C40 C49 1.404(4) . ?
C40 C41 1.429(4) . ?
C41 C42 1.352(4) . ?
C42 C43 1.438(4) . ?
C43 C44 1.407(4) . ?
C43 C48 1.409(4) . ?
C44 C45 1.373(4) . ?
C45 C46 1.406(4) . ?
C46 C47 1.388(4) . ?
C47 C48 1.437(4) . ?
C48 C49 1.427(4) . ?
N2 C62 1.513(4) . ?
N2 C54 1.518(4) . ?
N2 C50 1.520(4) . ?
N2 C58 1.527(4) . ?
C50 C51 1.532(4) . ?
C51 C52 1.527(4) . ?
C52 C53 1.514(5) . ?
C54 C55 1.513(4) . ?
C55 C56 1.525(4) . ?
C56 C57 1.522(4) . ?
C58 C59 1.505(4) . ?
C59 C60 1.533(4) . ?
C60 C61 1.515(4) . ?
C62 C63 1.521(4) . ?
C63 C64 1.527(5) . ?
C63 C64' 1.555(4) . ?
C64 C65 1.538(5) . ?
C64' C65' 1.537(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
C1 Pt1 C7 87.49(10) . . ?
C1 Pt1 P1 93.42(7) . . ?
C7 Pt1 P1 176.96(9) . . ?
C1 Pt1 P2 178.13(8) . . ?
C7 Pt1 P2 93.18(7) . . ?
P1 Pt1 P2 86.00(2) . . ?
C47 Pt2 N1 81.93(10) . . ?
C47 Pt2 O 169.40(9) . . ?
N1 Pt2 O 87.49(8) . . ?
C47 Pt2 P2 101.66(8) . . ?
N1 Pt2 P2 172.25(7) . . ?
O Pt2 P2 88.77(5) . . ?
O P1 C13 103.15(12) . . ?
O P1 C19 106.79(12) . . ?
C13 P1 C19 102.97(13) . . ?
O P1 Pt1 115.77(8) . . ?
C13 P1 Pt1 116.37(10) . . ?
C19 P1 Pt1 110.59(9) . . ?
C31 P2 C25 105.19(12) . . ?
C31 P2 Pt2 115.83(9) . . ?
C25 P2 Pt2 103.64(8) . . ?
C31 P2 Pt1 107.74(8) . . ?
C25 P2 Pt1 109.82(9) . . ?
Pt2 P2 Pt1 114.09(3) . . ?
C37 N1 C49 119.3(2) . . ?
C37 N1 Pt2 127.2(2) . . ?
C49 N1 Pt2 113.02(17) . . ?
P1 O Pt2 115.86(10) . . ?
C2 C1 C6 113.8(3) . . ?
C2 C1 Pt1 122.5(2) . . ?
C6 C1 Pt1 123.6(2) . . ?
F1 C2 C1 119.7(2) . . ?
F1 C2 C3 116.1(3) . . ?
C1 C2 C3 124.2(3) . . ?
F2 C3 C4 119.7(3) . . ?
F2 C3 C2 120.8(3) . . ?
C4 C3 C2 119.5(3) . . ?
F3 C4 C3 121.5(3) . . ?
F3 C4 C5 119.7(3) . . ?
C3 C4 C5 118.8(3) . . ?
F4 C5 C6 121.5(3) . . ?
F4 C5 C4 118.7(3) . . ?
C6 C5 C4 119.7(3) . . ?
F5 C6 C5 116.5(3) . . ?
F5 C6 C1 119.6(3) . . ?
C5 C6 C1 123.9(3) . . ?
C12 C7 C8 114.0(3) . . ?
C12 C7 Pt1 123.9(2) . . ?
C8 C7 Pt1 122.1(2) . . ?
F6 C8 C7 120.1(2) . . ?
F6 C8 C9 116.0(3) . . ?
C7 C8 C9 123.9(3) . . ?
F7 C9 C10 120.3(3) . . ?
F7 C9 C8 120.5(3) . . ?
C10 C9 C8 119.2(3) . . ?
F8 C10 C11 120.1(3) . . ?
F8 C10 C9 120.3(3) . . ?
C11 C10 C9 119.6(3) . . ?
F9 C11 C10 119.9(3) . . ?
F9 C11 C12 120.9(3) . . ?
C10 C11 C12 119.2(3) . . ?
F10 C12 C7 120.4(2) . . ?
F10 C12 C11 115.5(3) . . ?
C7 C12 C11 124.0(3) . . ?
C14 C13 C18 118.6(3) . . ?
C14 C13 P1 123.4(2) . . ?
C18 C13 P1 117.8(2) . . ?
C13 C14 C15 120.6(3) . . ?
C16 C15 C14 120.1(3) . . ?
C17 C16 C15 120.0(3) . . ?
C16 C17 C18 119.9(3) . . ?
C17 C18 C13 120.8(3) . . ?
C20 C19 C24 118.8(3) . . ?
C20 C19 P1 120.1(2) . . ?
C24 C19 P1 121.1(2) . . ?
C21 C20 C19 120.9(3) . . ?
C20 C21 C22 120.0(3) . . ?
C21 C22 C23 119.8(3) . . ?
C24 C23 C22 120.4(3) . . ?
C23 C24 C19 120.1(3) . . ?
C26 C25 C30 118.0(3) . . ?
C26 C25 P2 119.1(2) . . ?
C30 C25 P2 122.5(2) . . ?
C25 C26 C27 120.7(3) . . ?
C28 C27 C26 120.6(3) . . ?
C29 C28 C27 119.5(3) . . ?
C28 C29 C30 120.2(3) . . ?
C29 C30 C25 120.8(3) . . ?
C32 C31 C36 119.2(3) . . ?
C32 C31 P2 118.3(2) . . ?
C36 C31 P2 122.3(2) . . ?
C31 C32 C33 120.3(3) . . ?
C34 C33 C32 120.3(3) . . ?
C35 C34 C33 119.8(3) . . ?
C34 C35 C36 120.5(3) . . ?
C35 C36 C31 120.0(3) . . ?
N1 C37 C38 121.4(3) . . ?
C39 C38 C37 120.0(3) . . ?
C38 C39 C40 119.7(3) . . ?
C49 C40 C39 117.4(3) . . ?
C49 C40 C41 117.5(3) . . ?
C39 C40 C41 125.2(3) . . ?
C42 C41 C40 120.9(3) . . ?
C41 C42 C43 122.1(3) . . ?
C44 C43 C48 118.2(3) . . ?
C44 C43 C42 123.2(3) . . ?
C48 C43 C42 118.5(3) . . ?
C45 C44 C43 119.2(3) . . ?
C44 C45 C46 121.7(3) . . ?
C47 C46 C45 122.4(3) . . ?
C46 C47 C48 114.6(2) . . ?
C46 C47 Pt2 133.6(2) . . ?
C48 C47 Pt2 111.81(19) . . ?
C43 C48 C49 118.3(2) . . ?
C43 C48 C47 123.8(2) . . ?
C49 C48 C47 117.8(2) . . ?
N1 C49 C40 122.2(3) . . ?
N1 C49 C48 115.3(2) . . ?
C40 C49 C48 122.5(3) . . ?
C62 N2 C54 110.3(2) . . ?
C62 N2 C50 110.4(2) . . ?
C54 N2 C50 107.6(2) . . ?
C62 N2 C58 107.4(2) . . ?
C54 N2 C58 111.6(2) . . ?
C50 N2 C58 109.5(2) . . ?
N2 C50 C51 115.7(2) . . ?
C52 C51 C50 111.0(2) . . ?
C53 C52 C51 112.2(3) . . ?
C55 C54 N2 115.4(2) . . ?
C54 C55 C56 111.0(3) . . ?
C57 C56 C55 111.8(3) . . ?
C59 C58 N2 114.1(2) . . ?
C58 C59 C60 111.9(3) . . ?
C61 C60 C59 113.9(3) . . ?
N2 C62 C63 116.2(3) . . ?
C62 C63 C64 114.8(5) . . ?
C62 C63 C64' 107.3(3) . . ?
C63 C64 C65 108.7(5) . . ?
C65' C64' C63 111.3(5) . . ?

_refine_diff_density_max         0.683
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.103

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_10_AMT1146
_database_code_depnum_ccdc_archive 'CCDC 1982331'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC  Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2020-02-06 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT971_10_AMT1146          
;
PROBLEM: Check Calcd Resid. Dens. 1.18A From Pt1 4.33 eA-3
RESPONSE: This residual electron density has no chemical meaning
and probably arises from the mediocre quality of the crystal
;
# end Validation Reply Form
_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H28 F10 I N4 P2 Pt2, C16 H36 N'
_chemical_formula_sum            'C65 H64 F10 I N5 P2 Pt2'
_chemical_formula_weight         1684.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.3815(5)
_cell_length_b                   14.8245(8)
_cell_length_c                   21.6355(12)
_cell_angle_alpha                108.174(5)
_cell_angle_beta                 103.830(4)
_cell_angle_gamma                90.839(4)
_cell_volume                     3057.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6296
_cell_measurement_theta_min      3.1050
_cell_measurement_theta_max      26.7010

_exptl_crystal_description       needle
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_F_000             1636
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    5.204
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.45211
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0655
_diffrn_reflns_number            26124
_diffrn_reflns_av_unetI/netI     0.0986
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.749
_diffrn_reflns_theta_max         28.255
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.828
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0142717000
_diffrn_orient_matrix_UB_12      0.0352133000
_diffrn_orient_matrix_UB_13      0.0276876000
_diffrn_orient_matrix_UB_21      -0.0374144000
_diffrn_orient_matrix_UB_22      0.0221646000
_diffrn_orient_matrix_UB_23      -0.0222334000
_diffrn_orient_matrix_UB_31      -0.0582636000
_diffrn_orient_matrix_UB_32      -0.0287899000
_diffrn_orient_matrix_UB_33      -0.0036162000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -4.00  24.00   1.00   75.00    --  -11.85 -99.00  90.00   28
  2  ω    -82.00 -57.00   1.00   75.00    --  -11.85-179.00  30.00   25
  3  ω    -29.00  41.00   1.00   75.00    --  -11.85  57.00 -60.00   70
  4  ω     -1.00  81.00   1.00   75.00    --   14.12  57.00-180.00   82
  5  ω     -2.00  57.00   1.00   75.00    --   14.12  57.00 -90.00   59
  6  ω     14.00  78.00   1.00   75.00    --   14.12  57.00  90.00   64
  7  ω      3.00  81.00   1.00   75.00    --   14.12  57.00  30.00   78
;
_reflns_number_total             12514
_reflns_number_gt                9053
_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       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0495P)²+107.9864P] 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         12514
_refine_ls_number_parameters     766
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.1172
_refine_ls_R_factor_gt           0.0826
_refine_ls_wR_factor_ref         0.2029
_refine_ls_wR_factor_gt          0.1838
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_restrained_S_all      1.118
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.52565(5) 0.24736(4) 0.76380(3) 0.02057(16) Uani 1 1 d . . . . .
Pt2 Pt 0.42003(5) 0.41484(4) 0.67954(3) 0.02162(16) Uani 1 1 d . . . . .
I I 0.45700(11) 0.61186(8) 0.71469(6) 0.0379(3) Uani 1 1 d . . . . .
P1 P 0.4128(3) 0.2492(3) 0.65856(18) 0.0206(8) Uani 1 1 d . . . . .
P2 P 0.4606(4) 0.3993(3) 0.7865(2) 0.0226(8) Uani 1 1 d . . . . .
F1 F 0.3932(8) 0.0223(7) 0.7138(5) 0.034(2) Uani 1 1 d . . . . .
F2 F 0.5063(11) -0.1414(7) 0.6845(6) 0.048(3) Uani 1 1 d . . . . .
F3 F 0.7719(11) -0.1419(7) 0.6958(6) 0.051(3) Uani 1 1 d . . . . .
F4 F 0.9237(10) 0.0249(8) 0.7313(5) 0.047(3) Uani 1 1 d . . . . .
F5 F 0.8151(9) 0.1900(7) 0.7579(5) 0.037(2) Uani 1 1 d . . . . .
F6 F 0.8031(8) 0.3545(7) 0.8733(4) 0.032(2) Uani 1 1 d . . . . .
F7 F 0.9231(8) 0.3435(7) 0.9937(5) 0.038(2) Uani 1 1 d . . . . .
F8 F 0.8059(11) 0.2337(8) 1.0487(5) 0.053(3) Uani 1 1 d . . . . .
F9 F 0.5646(12) 0.1359(9) 0.9809(5) 0.062(4) Uani 1 1 d . . . . .
F10 F 0.4386(9) 0.1465(7) 0.8604(5) 0.042(3) Uani 1 1 d . . . . .
N1 N 0.3929(12) 0.3992(10) 0.5772(6) 0.032(3) Uani 1 1 d . . . . .
N2 N 0.2132(13) 0.4332(10) 0.6725(7) 0.031(3) Uani 1 1 d . . . . .
N3 N 0.1638(15) 0.4946(11) 0.6525(7) 0.037(3) Uani 1 1 d . . . . .
N4 N 0.1060(17) 0.5503(12) 0.6315(8) 0.050(4) Uani 1 1 d . . . . .
C1 C 0.5971(14) 0.1134(11) 0.7355(7) 0.022(3) Uani 1 1 d . . . . .
C2 C 0.5295(16) 0.0290(12) 0.7197(8) 0.031(4) Uani 1 1 d . U . . .
C3 C 0.5816(16) -0.0580(11) 0.7034(8) 0.028(3) Uani 1 1 d . . . . .
C4 C 0.7140(18) -0.0580(12) 0.7098(8) 0.035(4) Uani 1 1 d . . . . .
C5 C 0.7918(15) 0.0253(12) 0.7274(8) 0.029(4) Uani 1 1 d . . . . .
C6 C 0.7333(16) 0.1094(11) 0.7414(7) 0.029(4) Uani 1 1 d . . . . .
C7 C 0.6164(15) 0.2513(11) 0.8617(7) 0.023(3) Uani 1 1 d . . . . .
C8 C 0.7390(14) 0.3019(10) 0.8990(8) 0.024(3) Uani 1 1 d . . . . .
C9 C 0.8017(16) 0.2966(12) 0.9608(8) 0.032(4) Uani 1 1 d . . . . .
C10 C 0.7479(17) 0.2398(12) 0.9884(8) 0.036(4) Uani 1 1 d . . . . .
C11 C 0.6207(18) 0.1921(13) 0.9550(8) 0.039(5) Uani 1 1 d . . . . .
C12 C 0.5604(15) 0.1981(10) 0.8910(8) 0.026(3) Uani 1 1 d . . . . .
C13 C 0.4751(15) 0.1942(12) 0.5867(8) 0.029(4) Uani 1 1 d . . . . .
C14 C 0.3951(16) 0.1766(12) 0.5216(8) 0.034(4) Uani 1 1 d . . . . .
H14 H 0.3048 0.1906 0.5163 0.041 Uiso 1 1 calc R U . . .
C15 C 0.4395(19) 0.1407(14) 0.4656(9) 0.043(5) Uani 1 1 d . . . . .
H15 H 0.3821 0.1290 0.4219 0.052 Uiso 1 1 calc R U . . .
C16 C 0.5731(19) 0.1215(13) 0.4743(10) 0.045(5) Uani 1 1 d . . . . .
H16 H 0.6068 0.0967 0.4359 0.054 Uiso 1 1 calc R U . . .
C17 C 0.6551(17) 0.1374(12) 0.5362(9) 0.038(4) Uani 1 1 d . . . . .
H17 H 0.7452 0.1233 0.5408 0.046 Uiso 1 1 calc R U . . .
C18 C 0.6080(15) 0.1740(11) 0.5929(8) 0.030(4) Uani 1 1 d . . . . .
H18 H 0.6663 0.1856 0.6363 0.036 Uiso 1 1 calc R U . . .
C19 C 0.2462(14) 0.1858(10) 0.6337(7) 0.021(3) Uani 1 1 d . . . . .
C20 C 0.2320(16) 0.0895(12) 0.5945(8) 0.033(4) Uani 1 1 d . . . . .
H20 H 0.3038 0.0620 0.5775 0.040 Uiso 1 1 calc R U . . .
C21 C 0.1137(16) 0.0343(11) 0.5806(9) 0.036(4) Uani 1 1 d . . . . .
H21 H 0.1040 -0.0308 0.5534 0.043 Uiso 1 1 calc R U . . .
C22 C 0.0089(16) 0.0734(12) 0.6059(9) 0.037(4) Uani 1 1 d . . . . .
H22 H -0.0715 0.0349 0.5973 0.044 Uiso 1 1 calc R U . . .
C23 C 0.0227(15) 0.1682(12) 0.6436(9) 0.033(4) Uani 1 1 d . . . . .
H23 H -0.0493 0.1959 0.6603 0.039 Uiso 1 1 calc R U . . .
C24 C 0.1404(14) 0.2234(12) 0.6574(8) 0.029(4) Uani 1 1 d . . . . .
H24 H 0.1487 0.2888 0.6839 0.035 Uiso 1 1 calc R U . . .
C25 C 0.5747(14) 0.4906(9) 0.8570(7) 0.021(3) Uani 1 1 d . . . . .
C26 C 0.6680(15) 0.5566(11) 0.8508(8) 0.028(3) Uani 1 1 d . . . . .
H26 H 0.6685 0.5599 0.8077 0.033 Uiso 1 1 calc R U . . .
C27 C 0.7565(16) 0.6151(12) 0.9069(9) 0.036(4) Uani 1 1 d . . . . .
H27 H 0.8190 0.6583 0.9021 0.043 Uiso 1 1 calc R U . . .
C28 C 0.7576(16) 0.6132(12) 0.9699(9) 0.036(4) Uani 1 1 d . . . . .
H28 H 0.8192 0.6556 1.0083 0.043 Uiso 1 1 calc R U . . .
C29 C 0.6683(15) 0.5490(11) 0.9776(9) 0.032(4) Uani 1 1 d . . . . .
H29 H 0.6690 0.5462 1.0210 0.038 Uiso 1 1 calc R U . . .
C30 C 0.5785(15) 0.4891(13) 0.9206(8) 0.035(4) Uani 1 1 d . . . . .
H30 H 0.5172 0.4455 0.9257 0.042 Uiso 1 1 calc R U . . .
C31 C 0.3111(13) 0.4134(11) 0.8174(7) 0.022(3) Uani 1 1 d . . . . .
C32 C 0.2421(15) 0.3354(11) 0.8217(8) 0.028(3) Uani 1 1 d . . . . .
H32 H 0.2719 0.2738 0.8073 0.034 Uiso 1 1 calc R U . . .
C33 C 0.1291(14) 0.3470(12) 0.8470(8) 0.027(3) Uani 1 1 d . . . . .
H33 H 0.0792 0.2927 0.8470 0.033 Uiso 1 1 calc R U . . .
C34 C 0.0900(15) 0.4361(12) 0.8718(8) 0.031(4) Uani 1 1 d . . . . .
H34 H 0.0161 0.4437 0.8910 0.037 Uiso 1 1 calc R U . . .
C35 C 0.1586(14) 0.5159(12) 0.8688(7) 0.025(3) Uani 1 1 d . . . . .
H35 H 0.1309 0.5776 0.8859 0.031 Uiso 1 1 calc R U . . .
C36 C 0.2677(14) 0.5048(11) 0.8409(7) 0.025(3) Uani 1 1 d . . . . .
H36 H 0.3128 0.5587 0.8377 0.030 Uiso 1 1 calc R U . . .
C37 C 0.2789(15) 0.3985(13) 0.5300(8) 0.034(4) Uani 1 1 d . . . . .
H37 H 0.1975 0.4068 0.5429 0.040 Uiso 1 1 calc R U . . .
C38 C 0.2782(18) 0.3860(15) 0.4632(8) 0.045(5) Uani 1 1 d . . . . .
H38 H 0.1963 0.3831 0.4312 0.054 Uiso 1 1 calc R U . . .
C39 C 0.3940(17) 0.3780(14) 0.4436(9) 0.043(5) Uani 1 1 d . . . . .
H39 H 0.3927 0.3682 0.3979 0.051 Uiso 1 1 calc R U . . .
C40 C 0.5159(16) 0.3842(12) 0.4913(8) 0.029(4) Uani 1 1 d . . . . .
C41 C 0.6436(18) 0.3765(13) 0.4770(9) 0.039(4) Uani 1 1 d . . . . .
H41 H 0.6505 0.3661 0.4323 0.046 Uiso 1 1 calc R U . . .
C42 C 0.7541(17) 0.3838(13) 0.5265(9) 0.041(4) Uani 1 1 d . . . . .
H42 H 0.8385 0.3843 0.5166 0.049 Uiso 1 1 calc R U . . .
C43 C 0.7496(15) 0.3906(11) 0.5915(8) 0.028(3) Uani 1 1 d . . . . .
C44 C 0.8623(15) 0.3856(12) 0.6424(9) 0.034(4) Uani 1 1 d . . . . .
H44 H 0.9475 0.3812 0.6333 0.040 Uiso 1 1 calc R U . . .
C45 C 0.8501(15) 0.3869(11) 0.7037(8) 0.027(3) Uani 1 1 d . . . . .
H45 H 0.9265 0.3816 0.7363 0.033 Uiso 1 1 calc R U . . .
C46 C 0.7250(14) 0.3962(10) 0.7203(8) 0.024(3) Uani 1 1 d . . . . .
H46 H 0.7190 0.3974 0.7637 0.029 Uiso 1 1 calc R U . . .
C47 C 0.6127(14) 0.4034(10) 0.6737(8) 0.023(3) Uani 1 1 d . . . . .
C48 C 0.6264(14) 0.4003(12) 0.6095(8) 0.028(3) Uani 1 1 d . . . . .
C49 C 0.5120(14) 0.3979(11) 0.5576(8) 0.026(3) Uani 1 1 d . . . . .
N5 N 0.7813(12) 0.1374(9) 0.1967(6) 0.025(3) Uani 1 1 d . . . . .
C50 C 0.6542(15) 0.1599(13) 0.1546(9) 0.035(4) Uani 1 1 d . . . . .
H50A H 0.6517 0.2300 0.1693 0.042 Uiso 1 1 calc R U . . .
H50B H 0.6591 0.1395 0.1071 0.042 Uiso 1 1 calc R U . . .
C51 C 0.5268(16) 0.1159(15) 0.1571(9) 0.042(5) Uani 1 1 d . . . . .
H51A H 0.5121 0.1451 0.2024 0.050 Uiso 1 1 calc R U . . .
H51B H 0.5332 0.0469 0.1496 0.050 Uiso 1 1 calc R U . . .
C52 C 0.4093(15) 0.1287(16) 0.1049(10) 0.047(5) Uani 1 1 d . . . . .
H52A H 0.4201 0.0947 0.0594 0.056 Uiso 1 1 calc R U . . .
H52B H 0.4074 0.1974 0.1098 0.056 Uiso 1 1 calc R U . . .
C53 C 0.277(2) 0.091(2) 0.1116(13) 0.077(8) Uani 1 1 d . . . . .
H53A H 0.2032 0.1006 0.0771 0.116 Uiso 1 1 calc R U . . .
H53B H 0.2650 0.1253 0.1563 0.116 Uiso 1 1 calc R U . . .
H53C H 0.2775 0.0227 0.1058 0.116 Uiso 1 1 calc R U . . .
C54 C 0.7978(16) 0.0325(11) 0.1746(8) 0.031(4) Uani 1 1 d . . . . .
H54A H 0.7356 0.0001 0.1909 0.037 Uiso 1 1 calc R U . . .
H54B H 0.8894 0.0235 0.1970 0.037 Uiso 1 1 calc R U . . .
C55 C 0.7744(18) -0.0168(12) 0.0991(9) 0.040(4) Uani 1 1 d . . . . .
H55A H 0.6776 -0.0241 0.0774 0.048 Uiso 1 1 calc R U . . .
H55B H 0.8190 0.0236 0.0801 0.048 Uiso 1 1 calc R U . . .
C56 C 0.826(2) -0.1136(15) 0.0832(10) 0.056(6) Uani 1 1 d . . . . .
H56A H 0.8033 -0.1467 0.1129 0.068 Uiso 1 1 calc R U . . .
H56B H 0.7817 -0.1518 0.0361 0.068 Uiso 1 1 calc R U . . .
C57 C 0.973(2) -0.1088(16) 0.0918(12) 0.065(6) Uani 1 1 d . . . . .
H57A H 1.0010 -0.1736 0.0809 0.097 Uiso 1 1 calc R U . . .
H57B H 1.0182 -0.0723 0.1386 0.097 Uiso 1 1 calc R U . . .
H57C H 0.9966 -0.0775 0.0617 0.097 Uiso 1 1 calc R U . . .
C58 C 0.9029(15) 0.1901(11) 0.1901(8) 0.030(4) Uani 1 1 d . . . . .
H58A H 0.9843 0.1734 0.2172 0.036 Uiso 1 1 calc R U . . .
H58B H 0.9067 0.1669 0.1425 0.036 Uiso 1 1 calc R U . . .
C59 C 0.9041(16) 0.2983(12) 0.2122(8) 0.032(4) Uani 1 1 d . . . . .
H59A H 0.8325 0.3164 0.1803 0.038 Uiso 1 1 calc R U . . .
H59B H 0.8863 0.3215 0.2572 0.038 Uiso 1 1 calc R U . . .
C60 C 1.0372(17) 0.3449(13) 0.2150(9) 0.040(4) Uani 1 1 d . . . . .
H60A H 1.0645 0.3106 0.1737 0.048 Uiso 1 1 calc R U . . .
H60B H 1.0264 0.4114 0.2156 0.048 Uiso 1 1 calc R U . . .
C61 C 1.1459(17) 0.3459(14) 0.2754(11) 0.047(5) Uani 1 1 d . . . . .
H61A H 1.2290 0.3769 0.2744 0.071 Uiso 1 1 calc R U . . .
H61B H 1.1589 0.2802 0.2747 0.071 Uiso 1 1 calc R U . . .
H61C H 1.1207 0.3811 0.3166 0.071 Uiso 1 1 calc R U . . .
C62 C 0.7743(15) 0.1704(11) 0.2704(7) 0.027(3) Uani 1 1 d . . . . .
H62A H 0.7452 0.2356 0.2809 0.032 Uiso 1 1 calc R U . . .
H62B H 0.7039 0.1284 0.2743 0.032 Uiso 1 1 calc R U . . .
C63 C 0.8974(15) 0.1723(11) 0.3229(7) 0.028(3) Uani 1 1 d . . . . .
H63A H 0.9313 0.1087 0.3123 0.033 Uiso 1 1 calc R U . . .
H63B H 0.9668 0.2190 0.3232 0.033 Uiso 1 1 calc R U . . .
C64 C 0.8701(18) 0.1987(13) 0.3904(8) 0.038(4) Uani 1 1 d . . . . .
H64A H 0.8070 0.1483 0.3908 0.046 Uiso 1 1 calc R U . . .
H64B H 0.8265 0.2587 0.3983 0.046 Uiso 1 1 calc R U . . .
C65 C 0.994(2) 0.2119(14) 0.4474(9) 0.048(5) Uani 1 1 d . . . . .
H65A H 0.9691 0.2291 0.4903 0.072 Uiso 1 1 calc R U . . .
H65B H 1.0561 0.2629 0.4482 0.072 Uiso 1 1 calc R U . . .
H65C H 1.0367 0.1523 0.4406 0.072 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C7 2.084(13) . ?
Pt1 C1 2.091(14) . ?
Pt1 P2 2.299(4) . ?
Pt1 P1 2.307(4) . ?
Pt2 C47 2.040(13) . ?
Pt2 N1 2.100(13) . ?
Pt2 N2 2.143(13) . ?
Pt2 P2 2.337(4) . ?
Pt2 P1 2.351(4) . ?
Pt2 I 2.7745(13) . ?
P1 C13 1.791(16) . ?
P1 C19 1.832(14) . ?
P2 C31 1.821(14) . ?
P2 C25 1.834(13) . ?
F1 C2 1.389(18) . ?
F2 C3 1.345(17) . ?
F3 C4 1.369(18) . ?
F4 C5 1.352(17) . ?
F5 C6 1.354(18) . ?
F6 C8 1.337(17) . ?
F7 C9 1.347(18) . ?
F8 C10 1.332(18) . ?
F9 C11 1.336(17) . ?
F10 C12 1.370(16) . ?
N1 C37 1.364(19) . ?
N1 C49 1.399(19) . ?
N2 N3 1.196(19) . ?
N3 N4 1.170(19) . ?
C1 C2 1.33(2) . ?
C1 C6 1.39(2) . ?
C2 C3 1.38(2) . ?
C3 C4 1.35(2) . ?
C4 C5 1.36(2) . ?
C5 C6 1.38(2) . ?
C7 C12 1.36(2) . ?
C7 C8 1.39(2) . ?
C8 C9 1.37(2) . ?
C9 C10 1.35(2) . ?
C10 C11 1.40(2) . ?
C11 C12 1.41(2) . ?
C13 C14 1.39(2) . ?
C13 C18 1.40(2) . ?
C14 C15 1.36(2) . ?
C15 C16 1.40(3) . ?
C16 C17 1.35(3) . ?
C17 C18 1.39(2) . ?
C19 C24 1.37(2) . ?
C19 C20 1.40(2) . ?
C20 C21 1.38(2) . ?
C21 C22 1.39(2) . ?
C22 C23 1.37(2) . ?
C23 C24 1.38(2) . ?
C25 C30 1.37(2) . ?
C25 C26 1.424(19) . ?
C26 C27 1.36(2) . ?
C27 C28 1.37(2) . ?
C28 C29 1.39(2) . ?
C29 C30 1.39(2) . ?
C31 C32 1.39(2) . ?
C31 C36 1.41(2) . ?
C32 C33 1.40(2) . ?
C33 C34 1.37(2) . ?
C34 C35 1.40(2) . ?
C35 C36 1.39(2) . ?
C37 C38 1.40(2) . ?
C38 C39 1.36(2) . ?
C39 C40 1.41(2) . ?
C40 C49 1.40(2) . ?
C40 C41 1.43(2) . ?
C41 C42 1.35(2) . ?
C42 C43 1.39(2) . ?
C43 C48 1.42(2) . ?
C43 C44 1.42(2) . ?
C44 C45 1.36(2) . ?
C45 C46 1.43(2) . ?
C46 C47 1.38(2) . ?
C47 C48 1.42(2) . ?
C48 C49 1.42(2) . ?
N5 C54 1.50(2) . ?
N5 C50 1.520(19) . ?
N5 C58 1.533(18) . ?
N5 C62 1.535(18) . ?
C50 C51 1.49(2) . ?
C51 C52 1.51(2) . ?
C52 C53 1.53(2) . ?
C54 C55 1.52(2) . ?
C55 C56 1.51(3) . ?
C56 C57 1.49(3) . ?
C58 C59 1.52(2) . ?
C59 C60 1.52(2) . ?
C60 C61 1.51(2) . ?
C62 C63 1.49(2) . ?
C63 C64 1.49(2) . ?
C64 C65 1.52(2) . ?

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
C7 Pt1 C1 84.8(5) . . ?
C7 Pt1 P2 99.1(4) . . ?
C1 Pt1 P2 173.1(4) . . ?
C7 Pt1 P1 175.7(4) . . ?
C1 Pt1 P1 98.8(4) . . ?
P2 Pt1 P1 77.63(14) . . ?
C47 Pt2 N1 80.8(6) . . ?
C47 Pt2 N2 171.4(6) . . ?
N1 Pt2 N2 91.2(5) . . ?
C47 Pt2 P2 94.6(5) . . ?
N1 Pt2 P2 168.1(4) . . ?
N2 Pt2 P2 93.8(4) . . ?
C47 Pt2 P1 84.1(4) . . ?
N1 Pt2 P1 92.5(4) . . ?
N2 Pt2 P1 99.5(4) . . ?
P2 Pt2 P1 76.04(13) . . ?
C47 Pt2 I 91.1(4) . . ?
N1 Pt2 I 91.3(4) . . ?
N2 Pt2 I 85.9(4) . . ?
P2 Pt2 I 99.85(10) . . ?
P1 Pt2 I 173.35(9) . . ?
C13 P1 C19 101.9(7) . . ?
C13 P1 Pt1 120.5(5) . . ?
C19 P1 Pt1 110.2(5) . . ?
C13 P1 Pt2 109.7(6) . . ?
C19 P1 Pt2 115.8(5) . . ?
Pt1 P1 Pt2 99.51(14) . . ?
C31 P2 C25 98.9(7) . . ?
C31 P2 Pt1 113.8(5) . . ?
C25 P2 Pt1 115.3(5) . . ?
C31 P2 Pt2 111.0(5) . . ?
C25 P2 Pt2 118.4(5) . . ?
Pt1 P2 Pt2 100.14(15) . . ?
C37 N1 C49 116.6(13) . . ?
C37 N1 Pt2 129.4(10) . . ?
C49 N1 Pt2 113.7(9) . . ?
N3 N2 Pt2 120.1(12) . . ?
N4 N3 N2 174.8(19) . . ?
C2 C1 C6 114.1(14) . . ?
C2 C1 Pt1 127.0(11) . . ?
C6 C1 Pt1 118.3(11) . . ?
C1 C2 F1 120.5(14) . . ?
C1 C2 C3 125.3(15) . . ?
F1 C2 C3 114.1(14) . . ?
F2 C3 C4 119.5(15) . . ?
F2 C3 C2 122.4(14) . . ?
C4 C3 C2 118.0(15) . . ?
C3 C4 C5 120.6(15) . . ?
C3 C4 F3 120.7(16) . . ?
C5 C4 F3 118.6(15) . . ?
F4 C5 C4 120.6(14) . . ?
F4 C5 C6 121.0(15) . . ?
C4 C5 C6 118.5(14) . . ?
F5 C6 C5 116.0(14) . . ?
F5 C6 C1 120.8(14) . . ?
C5 C6 C1 123.2(15) . . ?
C12 C7 C8 116.2(13) . . ?
C12 C7 Pt1 120.2(11) . . ?
C8 C7 Pt1 123.6(11) . . ?
F6 C8 C9 117.4(13) . . ?
F6 C8 C7 120.2(13) . . ?
C9 C8 C7 122.3(15) . . ?
F7 C9 C10 118.4(14) . . ?
F7 C9 C8 120.2(15) . . ?
C10 C9 C8 121.3(15) . . ?
F8 C10 C9 122.7(15) . . ?
F8 C10 C11 118.3(15) . . ?
C9 C10 C11 118.7(15) . . ?
F9 C11 C10 120.3(14) . . ?
F9 C11 C12 121.3(13) . . ?
C10 C11 C12 118.1(14) . . ?
C7 C12 F10 122.2(13) . . ?
C7 C12 C11 123.2(13) . . ?
F10 C12 C11 114.7(12) . . ?
C14 C13 C18 117.0(15) . . ?
C14 C13 P1 120.9(12) . . ?
C18 C13 P1 121.9(12) . . ?
C15 C14 C13 123.3(16) . . ?
C14 C15 C16 117.6(17) . . ?
C17 C16 C15 121.5(17) . . ?
C16 C17 C18 120.1(17) . . ?
C17 C18 C13 120.4(16) . . ?
C24 C19 C20 118.5(14) . . ?
C24 C19 P1 124.2(11) . . ?
C20 C19 P1 116.8(11) . . ?
C21 C20 C19 120.0(15) . . ?
C20 C21 C22 120.5(15) . . ?
C23 C22 C21 119.3(15) . . ?
C22 C23 C24 120.3(15) . . ?
C19 C24 C23 121.4(15) . . ?
C30 C25 C26 117.6(13) . . ?
C30 C25 P2 116.9(11) . . ?
C26 C25 P2 125.3(12) . . ?
C27 C26 C25 119.9(14) . . ?
C26 C27 C28 121.6(15) . . ?
C27 C28 C29 119.9(16) . . ?
C30 C29 C28 118.5(16) . . ?
C25 C30 C29 122.5(16) . . ?
C32 C31 C36 118.9(13) . . ?
C32 C31 P2 120.7(11) . . ?
C36 C31 P2 120.3(11) . . ?
C31 C32 C33 120.5(15) . . ?
C34 C33 C32 120.4(15) . . ?
C33 C34 C35 120.3(14) . . ?
C36 C35 C34 119.9(15) . . ?
C35 C36 C31 120.0(14) . . ?
N1 C37 C38 122.1(15) . . ?
C39 C38 C37 120.5(16) . . ?
C38 C39 C40 119.9(16) . . ?
C49 C40 C39 117.7(15) . . ?
C49 C40 C41 117.2(14) . . ?
C39 C40 C41 125.1(15) . . ?
C42 C41 C40 120.3(16) . . ?
C41 C42 C43 122.5(16) . . ?
C42 C43 C48 119.9(15) . . ?
C42 C43 C44 123.9(15) . . ?
C48 C43 C44 116.3(14) . . ?
C45 C44 C43 121.1(14) . . ?
C44 C45 C46 121.4(14) . . ?
C47 C46 C45 120.3(14) . . ?
C46 C47 C48 117.7(13) . . ?
C46 C47 Pt2 130.7(11) . . ?
C48 C47 Pt2 111.5(10) . . ?
C49 C48 C47 120.0(13) . . ?
C49 C48 C43 116.6(14) . . ?
C47 C48 C43 123.1(14) . . ?
C40 C49 N1 122.9(14) . . ?
C40 C49 C48 123.2(14) . . ?
N1 C49 C48 113.5(13) . . ?
C54 N5 C50 111.8(12) . . ?
C54 N5 C58 107.8(12) . . ?
C50 N5 C58 110.0(11) . . ?
C54 N5 C62 109.4(11) . . ?
C50 N5 C62 108.0(12) . . ?
C58 N5 C62 109.8(11) . . ?
C51 C50 N5 116.6(14) . . ?
C50 C51 C52 112.2(14) . . ?
C51 C52 C53 112.0(16) . . ?
N5 C54 C55 116.2(13) . . ?
C56 C55 C54 112.1(15) . . ?
C57 C56 C55 113.2(18) . . ?
C59 C58 N5 114.9(13) . . ?
C60 C59 C58 111.1(14) . . ?
C61 C60 C59 113.4(15) . . ?
C63 C62 N5 117.9(12) . . ?
C64 C63 C62 110.7(13) . . ?
C63 C64 C65 113.6(15) . . ?

_refine_diff_density_max         4.286
_refine_diff_density_min         -3.078
_refine_diff_density_rms         0.284

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_4_AMT1181
_database_code_depnum_ccdc_archive 'CCDC 1982328'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC  Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2020-02-06 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            'CFT 128.1 CH2Cl2/hex'
_chemical_melting_point          ?
_chemical_formula_moiety         'C52 H34 F10 N2 P2 Pt2 S2, 2(C H2 Cl2)'
_chemical_formula_sum            'C54 H38 Cl4 F10 N2 P2 Pt2 S2'
_chemical_formula_weight         1562.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.9852(9)
_cell_length_b                   24.082(2)
_cell_length_c                   20.5966(17)
_cell_angle_alpha                90
_cell_angle_beta                 97.5230(10)
_cell_angle_gamma                90
_cell_volume                     5401.9(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9807
_cell_measurement_theta_min      2.5217
_cell_measurement_theta_max      30.8847

_exptl_crystal_description       prismatic
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    5.583
_shelx_estimated_absorpt_T_min   0.253
_shelx_estimated_absorpt_T_max   0.433
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.3531
_exptl_absorpt_correction_T_max  0.4335
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            50792
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.307
_diffrn_reflns_theta_max         31.096
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16002
_reflns_number_gt                14119
_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       'Bruker APEX2'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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+9.8809P] 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         16002
_refine_ls_number_parameters     715
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0525
_refine_ls_wR_factor_gt          0.0505
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.72778(2) 0.39792(2) 0.80468(2) 0.01126(2) Uani 1 1 d . . . . .
Pt2 Pt 0.62999(2) 0.52142(2) 0.71832(2) 0.00983(2) Uani 1 1 d . . . . .
P1 P 0.81144(6) 0.47196(3) 0.75327(3) 0.01132(12) Uani 1 1 d . . . . .
P2 P 0.57396(6) 0.46353(3) 0.79988(3) 0.01167(12) Uani 1 1 d . . . . .
S1 S 0.65552(6) 0.60258(3) 0.78850(3) 0.01489(12) Uani 1 1 d . . . . .
S2 S 0.43709(6) 0.57411(3) 0.70176(3) 0.01589(12) Uani 1 1 d . . . . .
F1 F 0.75296(15) 0.30736(7) 0.69382(9) 0.0241(4) Uani 1 1 d . . . . .
F2 F 0.91802(19) 0.23047(8) 0.67740(11) 0.0380(5) Uani 1 1 d . . . . .
F3 F 1.10982(19) 0.21015(9) 0.77239(13) 0.0484(6) Uani 1 1 d . . . . .
F4 F 1.13468(19) 0.27228(9) 0.88413(12) 0.0457(6) Uani 1 1 d . . . . .
F5 F 0.97473(17) 0.35284(8) 0.90051(9) 0.0302(4) Uani 1 1 d . . . . .
F6 F 0.73320(17) 0.37287(7) 0.95877(8) 0.0251(4) Uani 1 1 d . . . . .
F7 F 0.6113(2) 0.29986(9) 1.02448(9) 0.0364(5) Uani 1 1 d . . . . .
F8 F 0.4515(2) 0.22664(8) 0.95923(11) 0.0396(5) Uani 1 1 d . . . . .
F9 F 0.40977(19) 0.22936(8) 0.82552(11) 0.0374(5) Uani 1 1 d . . . . .
F10 F 0.52847(17) 0.30223(7) 0.75900(8) 0.0262(4) Uani 1 1 d . . . . .
N1 N 0.68991(19) 0.56631(9) 0.63743(10) 0.0123(4) Uani 1 1 d . . . . .
N2 N 0.4485(2) 0.66146(10) 0.78396(12) 0.0210(5) Uani 1 1 d . . . . .
C1 C 0.8578(2) 0.33665(11) 0.79670(14) 0.0178(5) Uani 1 1 d . . . . .
C2 C 0.8483(3) 0.30216(11) 0.74247(16) 0.0212(6) Uani 1 1 d . . . . .
C3 C 0.9318(3) 0.26074(12) 0.73281(18) 0.0270(7) Uani 1 1 d . . . . .
C4 C 1.0291(3) 0.25061(13) 0.7806(2) 0.0333(8) Uani 1 1 d . . . . .
C5 C 1.0400(3) 0.28198(13) 0.83649(19) 0.0317(8) Uani 1 1 d . . . . .
C6 C 0.9557(3) 0.32375(12) 0.84354(16) 0.0241(6) Uani 1 1 d . . . . .
C7 C 0.6374(2) 0.34096(11) 0.85547(13) 0.0146(5) Uani 1 1 d . . . . .
C8 C 0.6538(3) 0.33783(11) 0.92325(13) 0.0175(5) Uani 1 1 d . . . . .
C9 C 0.5923(3) 0.30049(12) 0.95854(15) 0.0234(6) Uani 1 1 d . . . . .
C10 C 0.5106(3) 0.26350(12) 0.92575(17) 0.0263(7) Uani 1 1 d . . . . .
C11 C 0.4904(3) 0.26500(12) 0.85832(16) 0.0242(6) Uani 1 1 d . . . . .
C12 C 0.5536(3) 0.30294(11) 0.82516(14) 0.0184(5) Uani 1 1 d . . . . .
C13 C 0.6003(2) 0.46137(11) 0.64629(12) 0.0123(5) Uani 1 1 d . . . . .
C14 C 0.5628(2) 0.40666(11) 0.64919(13) 0.0154(5) Uani 1 1 d . . . . .
H14 H 0.5443 0.3920 0.6896 0.019 Uiso 1 1 calc R U . . .
C15 C 0.5515(3) 0.37233(12) 0.59316(15) 0.0198(6) Uani 1 1 d . . . . .
H15 H 0.5243 0.3351 0.5964 0.024 Uiso 1 1 calc R U . . .
C16 C 0.5790(3) 0.39180(12) 0.53415(14) 0.0204(6) Uani 1 1 d . . . . .
H16 H 0.5698 0.3682 0.4969 0.024 Uiso 1 1 calc R U . . .
C17 C 0.6208(2) 0.44645(12) 0.52881(13) 0.0168(5) Uani 1 1 d . . . . .
C18 C 0.6542(3) 0.46905(13) 0.46932(13) 0.0202(6) Uani 1 1 d . . . . .
H18 H 0.6469 0.4464 0.4313 0.024 Uiso 1 1 calc R U . . .
C19 C 0.6959(2) 0.52190(13) 0.46554(13) 0.0193(5) Uani 1 1 d . . . . .
H19 H 0.7161 0.5356 0.4250 0.023 Uiso 1 1 calc R U . . .
C20 C 0.7099(2) 0.55710(12) 0.52219(12) 0.0157(5) Uani 1 1 d . . . . .
C21 C 0.7536(3) 0.61179(12) 0.52224(14) 0.0191(5) Uani 1 1 d . . . . .
H21 H 0.7756 0.6278 0.4833 0.023 Uiso 1 1 calc R U . . .
C22 C 0.7642(3) 0.64201(12) 0.57935(14) 0.0197(5) Uani 1 1 d . . . . .
H22 H 0.7938 0.6791 0.5800 0.024 Uiso 1 1 calc R U . . .
C23 C 0.7314(2) 0.61807(11) 0.63635(13) 0.0154(5) Uani 1 1 d . . . . .
H23 H 0.7390 0.6394 0.6755 0.019 Uiso 1 1 calc R U . . .
C24 C 0.6780(2) 0.53549(11) 0.58129(12) 0.0120(5) Uani 1 1 d . . . . .
C25 C 0.6311(2) 0.48065(11) 0.58548(12) 0.0135(5) Uani 1 1 d . . . . .
C26 C 0.5055(2) 0.61913(11) 0.76073(13) 0.0157(5) Uani 1 1 d . . . . .
C27 C 0.5126(3) 0.69703(12) 0.83490(15) 0.0275(7) Uani 1 1 d . . . . .
H27A H 0.5522 0.6739 0.8708 0.041 Uiso 1 1 calc R U . . .
H27B H 0.4536 0.7221 0.8516 0.041 Uiso 1 1 calc R U . . .
H27C H 0.5750 0.7189 0.8165 0.041 Uiso 1 1 calc R U . . .
C28 C 0.3209(3) 0.67400(15) 0.7613(2) 0.0356(8) Uani 1 1 d . . . . .
H28A H 0.2858 0.6445 0.7318 0.053 Uiso 1 1 calc R U . . .
H28B H 0.3155 0.7095 0.7379 0.053 Uiso 1 1 calc R U . . .
H28C H 0.2750 0.6764 0.7989 0.053 Uiso 1 1 calc R U . . .
C29 C 0.8963(2) 0.46476(11) 0.68309(13) 0.0139(5) Uani 1 1 d . . . . .
C30 C 0.8783(2) 0.41696(12) 0.64477(14) 0.0180(5) Uani 1 1 d . . . . .
H30 H 0.8290 0.3877 0.6579 0.022 Uiso 1 1 calc R U . . .
C31 C 0.9319(3) 0.41177(14) 0.58738(14) 0.0233(6) Uani 1 1 d . . . . .
H31 H 0.9199 0.3788 0.5620 0.028 Uiso 1 1 calc R U . . .
C32 C 1.0024(3) 0.45438(14) 0.56740(14) 0.0242(6) Uani 1 1 d . . . . .
H32 H 1.0376 0.4511 0.5278 0.029 Uiso 1 1 calc R U . . .
C33 C 1.0215(3) 0.50199(13) 0.60531(15) 0.0237(6) Uani 1 1 d . . . . .
H33 H 1.0705 0.5312 0.5918 0.028 Uiso 1 1 calc R U . . .
C34 C 0.9696(3) 0.50717(12) 0.66278(14) 0.0186(5) Uani 1 1 d . . . . .
H34 H 0.9839 0.5398 0.6886 0.022 Uiso 1 1 calc R U . . .
C35 C 0.9112(2) 0.51383(11) 0.81219(13) 0.0150(5) Uani 1 1 d . . . . .
C36 C 0.9362(3) 0.57011(12) 0.80324(15) 0.0201(6) Uani 1 1 d . . . . .
H36 H 0.8991 0.5887 0.7650 0.024 Uiso 1 1 calc R U . . .
C37 C 1.0145(3) 0.59892(13) 0.84953(17) 0.0280(7) Uani 1 1 d . . . . .
H37 H 1.0314 0.6370 0.8427 0.034 Uiso 1 1 calc R U . . .
C38 C 1.0685(3) 0.57241(15) 0.90588(17) 0.0323(7) Uani 1 1 d . . . . .
H38 H 1.1219 0.5923 0.9377 0.039 Uiso 1 1 calc R U . . .
C39 C 1.0442(3) 0.51687(14) 0.91548(16) 0.0288(7) Uani 1 1 d . . . . .
H39 H 1.0809 0.4986 0.9540 0.035 Uiso 1 1 calc R U . . .
C40 C 0.9665(3) 0.48773(12) 0.86904(14) 0.0205(6) Uani 1 1 d . . . . .
H40 H 0.9507 0.4495 0.8760 0.025 Uiso 1 1 calc R U . . .
C41 C 0.5614(2) 0.50452(11) 0.87282(13) 0.0154(5) Uani 1 1 d . . . . .
C42 C 0.4544(3) 0.53494(12) 0.87821(14) 0.0190(5) Uani 1 1 d . . . . .
H42 H 0.3849 0.5310 0.8459 0.023 Uiso 1 1 calc R U . . .
C43 C 0.4494(3) 0.57065(13) 0.93026(15) 0.0252(6) Uani 1 1 d . . . . .
H43 H 0.3766 0.5911 0.9337 0.030 Uiso 1 1 calc R U . . .
C44 C 0.5503(3) 0.57655(14) 0.97736(15) 0.0315(7) Uani 1 1 d . . . . .
H44 H 0.5476 0.6020 1.0123 0.038 Uiso 1 1 calc R U . . .
C45 C 0.6551(3) 0.54558(14) 0.97389(15) 0.0300(7) Uani 1 1 d . . . . .
H45 H 0.7232 0.5492 1.0071 0.036 Uiso 1 1 calc R U . . .
C46 C 0.6614(3) 0.50918(12) 0.92195(13) 0.0207(6) Uani 1 1 d . . . . .
H46 H 0.7332 0.4876 0.9199 0.025 Uiso 1 1 calc R U . . .
C47 C 0.4173(2) 0.43675(11) 0.78316(13) 0.0144(5) Uani 1 1 d . . . . .
C48 C 0.3416(2) 0.44177(12) 0.72359(13) 0.0173(5) Uani 1 1 d . . . . .
H48 H 0.3711 0.4603 0.6880 0.021 Uiso 1 1 calc R U . . .
C49 C 0.2237(3) 0.42001(13) 0.71577(15) 0.0226(6) Uani 1 1 d . . . . .
H49 H 0.1735 0.4231 0.6747 0.027 Uiso 1 1 calc R U . . .
C50 C 0.1786(3) 0.39370(14) 0.76786(16) 0.0271(7) Uani 1 1 d . . . . .
H50 H 0.0976 0.3791 0.7626 0.033 Uiso 1 1 calc R U . . .
C51 C 0.2527(3) 0.38894(14) 0.82751(16) 0.0256(6) Uani 1 1 d . . . . .
H51 H 0.2220 0.3714 0.8634 0.031 Uiso 1 1 calc R U . . .
C52 C 0.3711(3) 0.40961(12) 0.83494(14) 0.0190(5) Uani 1 1 d . . . . .
H52 H 0.4218 0.4054 0.8757 0.023 Uiso 1 1 calc R U . . .
C53 C 0.8064(6) 0.2003(3) 0.9181(4) 0.063(2) Uani 0.7 1 d . . P A 1
H53A H 0.7889 0.2299 0.8848 0.076 Uiso 0.7 1 calc R U P A 1
H53B H 0.7278 0.1818 0.9234 0.076 Uiso 0.7 1 calc R U P A 1
Cl1 Cl 0.8666(4) 0.22947(14) 0.99099(19) 0.1282(15) Uani 0.7 1 d . U P A 1
Cl2 Cl 0.9066(2) 0.15199(11) 0.89094(16) 0.0738(9) Uani 0.7 1 d . . P A 1
C53' C 0.8910(18) 0.2260(8) 0.9511(9) 0.056(4) Uani 0.3 1 d . U P B 2
H53C H 0.8474 0.2551 0.9232 0.067 Uiso 0.3 1 calc R U P B 2
H53D H 0.9801 0.2337 0.9541 0.067 Uiso 0.3 1 calc R U P B 2
Cl1' Cl 0.8475(4) 0.2302(2) 1.0283(2) 0.0515(11) Uani 0.3 1 d . . P B 2
Cl2' Cl 0.8616(11) 0.1632(4) 0.9145(4) 0.117(3) Uani 0.3 1 d . U P B 2
C54 C 1.1631(5) 0.2262(2) 0.6018(3) 0.0685(15) Uani 1 1 d . . . . .
H54A H 1.1907 0.1955 0.6321 0.082 Uiso 1 1 calc R U . . .
H54B H 1.0737 0.2219 0.5883 0.082 Uiso 1 1 calc R U . . .
Cl3 Cl 1.19111(15) 0.28937(6) 0.64212(9) 0.0845(5) Uani 1 1 d . . . . .
Cl4 Cl 1.2386(2) 0.22216(10) 0.53369(8) 0.1172(8) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C7 2.057(3) . ?
Pt1 C1 2.075(3) . ?
Pt1 P2 2.3060(7) . ?
Pt1 P1 2.3237(7) . ?
Pt2 C13 2.067(3) . ?
Pt2 N1 2.160(2) . ?
Pt2 P2 2.3271(7) . ?
Pt2 P1 2.3526(7) . ?
Pt2 S1 2.4253(7) . ?
Pt2 S2 2.4550(7) . ?
P1 C29 1.828(3) . ?
P1 C35 1.828(3) . ?
P2 C41 1.818(3) . ?
P2 C47 1.828(3) . ?
S1 C26 1.719(3) . ?
S2 C26 1.725(3) . ?
F1 C2 1.358(3) . ?
F2 C3 1.346(4) . ?
F3 C4 1.343(3) . ?
F4 C5 1.354(4) . ?
F5 C6 1.359(4) . ?
F6 C8 1.357(3) . ?
F7 C9 1.347(3) . ?
F8 C10 1.342(3) . ?
F9 C11 1.349(3) . ?
F10 C12 1.355(3) . ?
N1 C23 1.328(3) . ?
N1 C24 1.366(3) . ?
N2 C26 1.319(3) . ?
N2 C28 1.450(4) . ?
N2 C27 1.462(4) . ?
C1 C6 1.382(4) . ?
C1 C2 1.385(4) . ?
C2 C3 1.387(4) . ?
C3 C4 1.377(5) . ?
C4 C5 1.368(5) . ?
C5 C6 1.388(4) . ?
C7 C8 1.386(4) . ?
C7 C12 1.388(4) . ?
C8 C9 1.387(4) . ?
C9 C10 1.377(5) . ?
C10 C11 1.378(5) . ?
C11 C12 1.381(4) . ?
C13 C14 1.384(4) . ?
C13 C25 1.418(4) . ?
C14 C15 1.412(4) . ?
C15 C16 1.373(4) . ?
C16 C17 1.403(4) . ?
C17 C25 1.421(4) . ?
C17 C18 1.432(4) . ?
C18 C19 1.359(4) . ?
C19 C20 1.434(4) . ?
C20 C21 1.402(4) . ?
C20 C24 1.410(4) . ?
C21 C22 1.375(4) . ?
C22 C23 1.397(4) . ?
C24 C25 1.424(4) . ?
C29 C30 1.395(4) . ?
C29 C34 1.398(4) . ?
C30 C31 1.394(4) . ?
C31 C32 1.380(5) . ?
C32 C33 1.388(5) . ?
C33 C34 1.385(4) . ?
C35 C40 1.396(4) . ?
C35 C36 1.400(4) . ?
C36 C37 1.384(4) . ?
C37 C38 1.388(5) . ?
C38 C39 1.383(5) . ?
C39 C40 1.386(4) . ?
C41 C46 1.397(4) . ?
C41 C42 1.401(4) . ?
C42 C43 1.381(4) . ?
C43 C44 1.382(5) . ?
C44 C45 1.381(5) . ?
C45 C46 1.392(4) . ?
C47 C48 1.394(4) . ?
C47 C52 1.401(4) . ?
C48 C49 1.387(4) . ?
C49 C50 1.392(4) . ?
C50 C51 1.387(4) . ?
C51 C52 1.382(4) . ?
C53 Cl1 1.710(9) . ?
C53 Cl2 1.743(8) . ?
C53' Cl2' 1.70(2) . ?
C53' Cl1' 1.722(16) . ?
C54 Cl4 1.723(5) . ?
C54 Cl3 1.741(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Pt1 C1 87.08(10) . . ?
C7 Pt1 P2 94.54(7) . . ?
C1 Pt1 P2 172.72(8) . . ?
C7 Pt1 P1 171.56(7) . . ?
C1 Pt1 P1 101.07(7) . . ?
P2 Pt1 P1 77.65(2) . . ?
C13 Pt2 N1 80.32(9) . . ?
C13 Pt2 P2 93.85(7) . . ?
N1 Pt2 P2 173.13(6) . . ?
C13 Pt2 P1 85.01(7) . . ?
N1 Pt2 P1 99.08(6) . . ?
P2 Pt2 P1 76.66(2) . . ?
C13 Pt2 S1 170.66(7) . . ?
N1 Pt2 S1 91.91(6) . . ?
P2 Pt2 S1 94.21(2) . . ?
P1 Pt2 S1 101.45(2) . . ?
C13 Pt2 S2 102.11(7) . . ?
N1 Pt2 S2 88.79(6) . . ?
P2 Pt2 S2 96.02(2) . . ?
P1 Pt2 S2 170.23(2) . . ?
S1 Pt2 S2 72.34(2) . . ?
C29 P1 C35 104.70(12) . . ?
C29 P1 Pt1 124.10(9) . . ?
C35 P1 Pt1 111.06(9) . . ?
C29 P1 Pt2 107.78(8) . . ?
C35 P1 Pt2 109.51(9) . . ?
Pt1 P1 Pt2 99.10(2) . . ?
C41 P2 C47 100.11(12) . . ?
C41 P2 Pt1 118.11(9) . . ?
C47 P2 Pt1 115.65(9) . . ?
C41 P2 Pt2 109.10(9) . . ?
C47 P2 Pt2 114.01(9) . . ?
Pt1 P2 Pt2 100.36(3) . . ?
C26 S1 Pt2 87.56(9) . . ?
C26 S2 Pt2 86.47(9) . . ?
C23 N1 C24 119.4(2) . . ?
C23 N1 Pt2 128.48(18) . . ?
C24 N1 Pt2 112.08(17) . . ?
C26 N2 C28 122.0(3) . . ?
C26 N2 C27 120.4(3) . . ?
C28 N2 C27 117.6(2) . . ?
C6 C1 C2 113.4(3) . . ?
C6 C1 Pt1 125.8(2) . . ?
C2 C1 Pt1 120.7(2) . . ?
F1 C2 C1 120.6(2) . . ?
F1 C2 C3 114.9(3) . . ?
C1 C2 C3 124.5(3) . . ?
F2 C3 C4 120.1(3) . . ?
F2 C3 C2 120.5(3) . . ?
C4 C3 C2 119.4(3) . . ?
F3 C4 C5 121.4(3) . . ?
F3 C4 C3 120.1(3) . . ?
C5 C4 C3 118.5(3) . . ?
F4 C5 C4 119.2(3) . . ?
F4 C5 C6 120.6(3) . . ?
C4 C5 C6 120.1(3) . . ?
F5 C6 C1 120.3(3) . . ?
F5 C6 C5 115.7(3) . . ?
C1 C6 C5 124.0(3) . . ?
C8 C7 C12 114.1(2) . . ?
C8 C7 Pt1 122.7(2) . . ?
C12 C7 Pt1 123.2(2) . . ?
F6 C8 C7 119.9(2) . . ?
F6 C8 C9 116.3(2) . . ?
C7 C8 C9 123.7(3) . . ?
F7 C9 C10 119.5(3) . . ?
F7 C9 C8 120.9(3) . . ?
C10 C9 C8 119.6(3) . . ?
F8 C10 C9 120.2(3) . . ?
F8 C10 C11 120.7(3) . . ?
C9 C10 C11 119.1(3) . . ?
F9 C11 C10 119.8(3) . . ?
F9 C11 C12 120.8(3) . . ?
C10 C11 C12 119.4(3) . . ?
F10 C12 C11 116.1(3) . . ?
F10 C12 C7 119.8(2) . . ?
C11 C12 C7 124.1(3) . . ?
C14 C13 C25 117.2(2) . . ?
C14 C13 Pt2 130.9(2) . . ?
C25 C13 Pt2 111.81(18) . . ?
C13 C14 C15 121.1(3) . . ?
C16 C15 C14 121.2(3) . . ?
C15 C16 C17 120.1(3) . . ?
C16 C17 C25 118.1(3) . . ?
C16 C17 C18 123.1(3) . . ?
C25 C17 C18 118.7(3) . . ?
C19 C18 C17 122.1(3) . . ?
C18 C19 C20 120.5(3) . . ?
C21 C20 C24 118.1(2) . . ?
C21 C20 C19 123.8(3) . . ?
C24 C20 C19 118.2(3) . . ?
C22 C21 C20 119.2(3) . . ?
C21 C22 C23 119.9(3) . . ?
N1 C23 C22 121.9(3) . . ?
N1 C24 C20 121.5(2) . . ?
N1 C24 C25 116.6(2) . . ?
C20 C24 C25 121.8(2) . . ?
C13 C25 C17 122.2(2) . . ?
C13 C25 C24 119.2(2) . . ?
C17 C25 C24 118.6(2) . . ?
N2 C26 S1 122.6(2) . . ?
N2 C26 S2 123.8(2) . . ?
S1 C26 S2 113.51(15) . . ?
C30 C29 C34 118.6(3) . . ?
C30 C29 P1 118.4(2) . . ?
C34 C29 P1 122.7(2) . . ?
C31 C30 C29 120.6(3) . . ?
C32 C31 C30 120.1(3) . . ?
C31 C32 C33 119.7(3) . . ?
C34 C33 C32 120.4(3) . . ?
C33 C34 C29 120.5(3) . . ?
C40 C35 C36 118.4(3) . . ?
C40 C35 P1 117.7(2) . . ?
C36 C35 P1 123.9(2) . . ?
C37 C36 C35 120.6(3) . . ?
C36 C37 C38 120.3(3) . . ?
C39 C38 C37 119.7(3) . . ?
C38 C39 C40 120.2(3) . . ?
C39 C40 C35 120.8(3) . . ?
C46 C41 C42 119.2(3) . . ?
C46 C41 P2 120.3(2) . . ?
C42 C41 P2 120.3(2) . . ?
C43 C42 C41 120.4(3) . . ?
C42 C43 C44 119.9(3) . . ?
C43 C44 C45 120.4(3) . . ?
C44 C45 C46 120.4(3) . . ?
C45 C46 C41 119.6(3) . . ?
C48 C47 C52 118.5(2) . . ?
C48 C47 P2 125.0(2) . . ?
C52 C47 P2 116.5(2) . . ?
C49 C48 C47 120.6(3) . . ?
C48 C49 C50 120.2(3) . . ?
C51 C50 C49 119.6(3) . . ?
C52 C51 C50 120.2(3) . . ?
C51 C52 C47 120.9(3) . . ?
Cl1 C53 Cl2 111.6(4) . . ?
Cl2' C53' Cl1' 113.7(10) . . ?
Cl4 C54 Cl3 111.4(3) . . ?

_refine_diff_density_max         1.338
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.113

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_6_AMT792
_database_code_depnum_ccdc_archive 'CCDC 1982329'
loop_
_audit_author_name
_audit_author_address
'Antonio Martin Tello'
;CSIC  Universidad de Zaragoza
Spain
;
_audit_update_record             
;
2020-02-06 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C50 H28 F10 N O P2 Pt2 S2, C16 H36 N, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C67.50 H67 Cl3 F10 N2 O P2 Pt2 S2'
_chemical_formula_weight         1734.82

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.1374(8)
_cell_length_b                   33.666(2)
_cell_length_c                   16.3939(11)
_cell_angle_alpha                90
_cell_angle_beta                 99.6880(10)
_cell_angle_gamma                90
_cell_volume                     6603.2(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9684
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      27.96

_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_F_000             3412
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    4.539
_shelx_estimated_absorpt_T_min   0.343
_shelx_estimated_absorpt_T_max   0.569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3430
_exptl_absorpt_correction_T_max  0.5691
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            80939
_diffrn_reflns_av_unetI/netI     0.0391
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.398
_diffrn_reflns_theta_max         28.721
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.936
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.936
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.936
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             16021
_reflns_number_gt                13987
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0068P)²+45.2116P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16021
_refine_ls_number_parameters     826
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0443
_refine_ls_wR_factor_ref         0.0868
_refine_ls_wR_factor_gt          0.0841
_refine_ls_goodness_of_fit_ref   1.231
_refine_ls_restrained_S_all      1.267
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.02297(2) 0.35426(2) 0.62094(2) 0.01353(5) Uani 1 1 d . . . . .
Pt2 Pt 0.08292(2) 0.41482(2) 0.80093(2) 0.01395(5) Uani 1 1 d . . . . .
P1 P -0.05450(11) 0.36995(4) 0.73641(8) 0.0141(3) Uani 1 1 d . . . . .
P2 P 0.17181(11) 0.38581(4) 0.70179(8) 0.0138(3) Uani 1 1 d . . . . .
S1 S 0.18398(12) 0.37800(4) 0.91599(8) 0.0195(3) Uani 1 1 d . . . . .
S2 S 0.23969(11) 0.45558(4) 0.85988(8) 0.0186(3) Uani 1 1 d . . . . .
N1 N -0.0140(4) 0.44347(15) 0.8827(3) 0.0200(10) Uani 1 1 d . . . . .
O O 0.3478(4) 0.42202(13) 0.9969(3) 0.0314(10) Uani 1 1 d . . . . .
F1 F -0.1565(3) 0.38863(13) 0.4731(2) 0.0384(10) Uani 1 1 d . . . . .
F2 F -0.3412(4) 0.3587(2) 0.3831(3) 0.0795(19) Uani 1 1 d . . . . .
F3 F -0.4068(4) 0.2834(2) 0.4080(3) 0.085(2) Uani 1 1 d . . . . .
F4 F -0.2841(4) 0.23826(14) 0.5266(4) 0.0734(18) Uani 1 1 d . . . . .
F5 F -0.0986(4) 0.26758(11) 0.6209(3) 0.0443(11) Uani 1 1 d . . . . .
F6 F 0.1525(3) 0.27444(10) 0.5814(2) 0.0270(8) Uani 1 1 d . . . . .
F7 F 0.2917(3) 0.25933(10) 0.4751(2) 0.0299(8) Uani 1 1 d . . . . .
F8 F 0.3291(3) 0.31488(11) 0.3623(2) 0.0320(8) Uani 1 1 d . . . . .
F9 F 0.2175(3) 0.38543(11) 0.3535(2) 0.0336(9) Uani 1 1 d . . . . .
F10 F 0.0820(3) 0.40226(10) 0.4625(2) 0.0244(7) Uani 1 1 d . . . . .
C1 C -0.1183(5) 0.32979(18) 0.5526(3) 0.0214(12) Uani 1 1 d . . . . .
C2 C -0.1841(5) 0.3509(2) 0.4894(4) 0.0314(15) Uani 1 1 d . . . . .
C3 C -0.2798(6) 0.3359(3) 0.4416(4) 0.047(2) Uani 1 1 d . . . . .
C4 C -0.3139(6) 0.2989(3) 0.4532(5) 0.053(2) Uani 1 1 d . . . . .
C5 C -0.2525(6) 0.2760(2) 0.5137(5) 0.046(2) Uani 1 1 d . . . . .
C6 C -0.1555(5) 0.29128(19) 0.5626(4) 0.0319(15) Uani 1 1 d . . . . .
C7 C 0.1116(4) 0.33976(16) 0.5288(3) 0.0170(11) Uani 1 1 d . . . . .
C8 C 0.1670(5) 0.30347(16) 0.5263(3) 0.0184(11) Uani 1 1 d . . . . .
C9 C 0.2389(5) 0.29500(16) 0.4724(3) 0.0197(11) Uani 1 1 d . . . . .
C10 C 0.2566(5) 0.32265(18) 0.4149(3) 0.0232(12) Uani 1 1 d . . . . .
C11 C 0.2014(5) 0.35807(18) 0.4112(3) 0.0220(12) Uani 1 1 d . . . . .
C12 C 0.1306(5) 0.36602(17) 0.4674(3) 0.0205(12) Uani 1 1 d . . . . .
C13 C -0.0717(5) 0.32506(17) 0.7950(3) 0.0195(11) Uani 1 1 d . . . . .
C14 C -0.1769(5) 0.30718(17) 0.7910(4) 0.0234(12) Uani 1 1 d . . . . .
H14 H -0.2417 0.3205 0.7635 0.028 Uiso 1 1 calc R U . . .
C15 C -0.1874(6) 0.2699(2) 0.8272(4) 0.0336(15) Uani 1 1 d . . . . .
H15 H -0.2591 0.2581 0.8241 0.040 Uiso 1 1 calc R U . . .
C16 C -0.0929(6) 0.2503(2) 0.8676(4) 0.0348(16) Uani 1 1 d . . . . .
H16 H -0.0994 0.2249 0.8919 0.042 Uiso 1 1 calc R U . . .
C17 C 0.0096(5) 0.2679(2) 0.8718(4) 0.0326(15) Uani 1 1 d . . . . .
H17 H 0.0743 0.2546 0.8994 0.039 Uiso 1 1 calc R U . . .
C18 C 0.0209(5) 0.30488(18) 0.8367(4) 0.0252(13) Uani 1 1 d . . . . .
H18 H 0.0929 0.3166 0.8412 0.030 Uiso 1 1 calc R U . . .
C19 C -0.1918(4) 0.39363(16) 0.7258(3) 0.0171(11) Uani 1 1 d . . . . .
C20 C -0.2431(5) 0.39919(18) 0.7954(4) 0.0236(12) Uani 1 1 d . . . . .
H20 H -0.2089 0.3890 0.8476 0.028 Uiso 1 1 calc R U . . .
C21 C -0.3435(5) 0.41945(19) 0.7882(4) 0.0274(13) Uani 1 1 d . . . . .
H21 H -0.3776 0.4234 0.8357 0.033 Uiso 1 1 calc R U . . .
C22 C -0.3944(5) 0.4339(2) 0.7125(5) 0.0350(16) Uani 1 1 d . . . . .
H22 H -0.4642 0.4473 0.7076 0.042 Uiso 1 1 calc R U . . .
C23 C -0.3440(5) 0.4290(2) 0.6442(4) 0.0339(15) Uani 1 1 d . . . . .
H23 H -0.3788 0.4393 0.5923 0.041 Uiso 1 1 calc R U . . .
C24 C -0.2418(5) 0.40890(17) 0.6504(4) 0.0214(12) Uani 1 1 d . . . . .
H24 H -0.2071 0.4058 0.6029 0.026 Uiso 1 1 calc R U . . .
C25 C 0.2823(4) 0.35261(17) 0.7508(3) 0.0173(11) Uani 1 1 d . . . . .
C26 C 0.2621(5) 0.31196(17) 0.7543(3) 0.0210(12) Uani 1 1 d . . . . .
H26 H 0.1941 0.3011 0.7257 0.025 Uiso 1 1 calc R U . . .
C27 C 0.3414(5) 0.28727(18) 0.7995(4) 0.0252(13) Uani 1 1 d . . . . .
H27 H 0.3263 0.2597 0.8035 0.030 Uiso 1 1 calc R U . . .
C28 C 0.4413(5) 0.30244(19) 0.8385(4) 0.0266(13) Uani 1 1 d . . . . .
H28 H 0.4950 0.2853 0.8695 0.032 Uiso 1 1 calc R U . . .
C29 C 0.4644(5) 0.34237(19) 0.8332(3) 0.0244(13) Uani 1 1 d . . . . .
H29 H 0.5346 0.3525 0.8592 0.029 Uiso 1 1 calc R U . . .
C30 C 0.3847(4) 0.36787(17) 0.7895(3) 0.0191(11) Uani 1 1 d . . . . .
H30 H 0.4001 0.3954 0.7862 0.023 Uiso 1 1 calc R U . . .
C31 C 0.2522(4) 0.42037(16) 0.6477(3) 0.0157(11) Uani 1 1 d . . . . .
C32 C 0.3173(4) 0.40397(17) 0.5946(3) 0.0193(11) Uani 1 1 d . . . . .
H32 H 0.3247 0.3759 0.5920 0.023 Uiso 1 1 calc R U . . .
C33 C 0.3718(5) 0.4280(2) 0.5452(4) 0.0256(13) Uani 1 1 d . . . . .
H33 H 0.4158 0.4162 0.5089 0.031 Uiso 1 1 calc R U . . .
C34 C 0.3629(5) 0.4686(2) 0.5480(4) 0.0305(14) Uani 1 1 d . . . . .
H34 H 0.3987 0.4849 0.5130 0.037 Uiso 1 1 calc R U . . .
C35 C 0.3010(5) 0.48561(19) 0.6026(4) 0.0282(14) Uani 1 1 d . . . . .
H35 H 0.2958 0.5137 0.6059 0.034 Uiso 1 1 calc R U . . .
C36 C 0.2463(5) 0.46181(17) 0.6528(4) 0.0203(12) Uani 1 1 d . . . . .
H36 H 0.2050 0.4738 0.6907 0.024 Uiso 1 1 calc R U . . .
C37 C -0.0045(4) 0.45548(16) 0.7199(3) 0.0168(11) Uani 1 1 d . . . . .
C38 C -0.0130(5) 0.45951(15) 0.6349(3) 0.0179(11) Uani 1 1 d . . . . .
H38 H 0.0265 0.4419 0.6049 0.021 Uiso 1 1 calc R U . . .
C39 C -0.0806(5) 0.48997(18) 0.5925(4) 0.0239(13) Uani 1 1 d . . . . .
H39 H -0.0836 0.4929 0.5345 0.029 Uiso 1 1 calc R U . . .
C40 C -0.1420(5) 0.51534(18) 0.6330(4) 0.0264(13) Uani 1 1 d . . . . .
H40 H -0.1868 0.5354 0.6031 0.032 Uiso 1 1 calc R U . . .
C41 C -0.1384(5) 0.51155(17) 0.7187(4) 0.0241(13) Uani 1 1 d . . . . .
C42 C -0.2026(5) 0.53584(18) 0.7654(4) 0.0294(14) Uani 1 1 d . . . . .
H42 H -0.2445 0.5574 0.7385 0.035 Uiso 1 1 calc R U . . .
C43 C -0.2058(5) 0.52928(19) 0.8457(4) 0.0313(15) Uani 1 1 d . . . . .
H43 H -0.2498 0.5460 0.8741 0.038 Uiso 1 1 calc R U . . .
C44 C -0.1436(5) 0.49740(19) 0.8893(4) 0.0261(13) Uani 1 1 d . . . . .
C45 C -0.1487(5) 0.4870(2) 0.9713(4) 0.0347(16) Uani 1 1 d . . . . .
H45 H -0.1950 0.5015 1.0019 0.042 Uiso 1 1 calc R U . . .
C46 C -0.0862(5) 0.4556(2) 1.0071(4) 0.0321(15) Uani 1 1 d . . . . .
H46 H -0.0885 0.4484 1.0628 0.039 Uiso 1 1 calc R U . . .
C47 C -0.0193(5) 0.43442(19) 0.9610(4) 0.0253(13) Uani 1 1 d . . . . .
H47 H 0.0238 0.4128 0.9863 0.030 Uiso 1 1 calc R U . . .
C48 C -0.0759(4) 0.47428(17) 0.8461(4) 0.0207(12) Uani 1 1 d . . . . .
C49 C -0.0708(4) 0.48085(16) 0.7611(4) 0.0192(11) Uani 1 1 d . . . . .
C50 C 0.2739(5) 0.41915(18) 0.9374(3) 0.0233(12) Uani 1 1 d . . . . .
N2 N 0.5048(4) 0.83434(15) 0.3626(3) 0.0254(11) Uani 1 1 d . . . . .
C51 C 0.4460(5) 0.8444(2) 0.4350(4) 0.0306(15) Uani 1 1 d . . . . .
H51A H 0.4647 0.8237 0.4779 0.037 Uiso 1 1 calc R U . . .
H51B H 0.4766 0.8699 0.4593 0.037 Uiso 1 1 calc R U . . .
C52 C 0.3198(6) 0.8481(2) 0.4151(4) 0.0389(17) Uani 1 1 d . . . . .
H52A H 0.2885 0.8241 0.3847 0.047 Uiso 1 1 calc R U . . .
H52B H 0.2998 0.8714 0.3788 0.047 Uiso 1 1 calc R U . . .
C53 C 0.2690(6) 0.8527(2) 0.4933(4) 0.0352(16) Uani 1 1 d . . . . .
H53A H 0.3024 0.8328 0.5346 0.042 Uiso 1 1 calc R U . . .
H53B H 0.2874 0.8794 0.5171 0.042 Uiso 1 1 calc R U . . .
C54 C 0.1428(6) 0.8475(3) 0.4767(5) 0.049(2) Uani 1 1 d . . . . .
H54A H 0.1135 0.8508 0.5285 0.073 Uiso 1 1 calc R U . . .
H54B H 0.1242 0.8209 0.4542 0.073 Uiso 1 1 calc R U . . .
H54C H 0.1093 0.8675 0.4367 0.073 Uiso 1 1 calc R U . . .
C55 C 0.6295(5) 0.83409(19) 0.3964(4) 0.0262(13) Uani 1 1 d . . . . .
H55A H 0.6511 0.8606 0.4199 0.031 Uiso 1 1 calc R U . . .
H55B H 0.6440 0.8146 0.4422 0.031 Uiso 1 1 calc R U . . .
C56 C 0.7035(5) 0.82397(19) 0.3332(4) 0.0273(13) Uani 1 1 d . . . . .
H56A H 0.6939 0.8445 0.2893 0.033 Uiso 1 1 calc R U . . .
H56B H 0.6798 0.7981 0.3071 0.033 Uiso 1 1 calc R U . . .
C57 C 0.8262(5) 0.82165(19) 0.3722(4) 0.0299(14) Uani 1 1 d . . . . .
H57A H 0.8525 0.8483 0.3921 0.036 Uiso 1 1 calc R U . . .
H57B H 0.8347 0.8036 0.4205 0.036 Uiso 1 1 calc R U . . .
C58 C 0.8969(6) 0.8068(2) 0.3117(4) 0.0385(17) Uani 1 1 d . . . . .
H58A H 0.9753 0.8057 0.3387 0.058 Uiso 1 1 calc R U . . .
H58B H 0.8897 0.8249 0.2642 0.058 Uiso 1 1 calc R U . . .
H58C H 0.8719 0.7802 0.2927 0.058 Uiso 1 1 calc R U . . .
C59 C 0.4670(5) 0.79462(18) 0.3252(4) 0.0261(13) Uani 1 1 d . . . . .
H59A H 0.4960 0.7918 0.2725 0.031 Uiso 1 1 calc R U . . .
H59B H 0.3844 0.7949 0.3115 0.031 Uiso 1 1 calc R U . . .
C60 C 0.5019(5) 0.75817(18) 0.3778(4) 0.0263(13) Uani 1 1 d . . . . .
H60A H 0.5829 0.7534 0.3804 0.032 Uiso 1 1 calc R U . . .
H60B H 0.4880 0.7628 0.4349 0.032 Uiso 1 1 calc R U . . .
C61 C 0.4368(5) 0.72195(19) 0.3416(4) 0.0302(14) Uani 1 1 d . . . . .
H61A H 0.4399 0.7204 0.2817 0.036 Uiso 1 1 calc R U . . .
H61B H 0.3575 0.7251 0.3477 0.036 Uiso 1 1 calc R U . . .
C62 C 0.4814(6) 0.6831(2) 0.3829(5) 0.0430(18) Uani 1 1 d . . . . .
H62A H 0.4364 0.6609 0.3572 0.065 Uiso 1 1 calc R U . . .
H62B H 0.4770 0.6842 0.4420 0.065 Uiso 1 1 calc R U . . .
H62C H 0.5594 0.6795 0.3760 0.065 Uiso 1 1 calc R U . . .
C63 C 0.4762(6) 0.86477(19) 0.2931(4) 0.0314(15) Uani 1 1 d . . . . .
H63A H 0.5144 0.8569 0.2468 0.038 Uiso 1 1 calc R U . . .
H63B H 0.3948 0.8636 0.2726 0.038 Uiso 1 1 calc R U . . .
C64 C 0.5071(9) 0.9067(2) 0.3157(5) 0.067(3) Uani 1 1 d . . . . .
H64A H 0.5886 0.9084 0.3358 0.081 Uiso 1 1 calc R U . . .
H64B H 0.4683 0.9153 0.3613 0.081 Uiso 1 1 calc R U . . .
C65 C 0.4757(7) 0.9344(2) 0.2425(4) 0.0428(18) Uani 1 1 d D . . . .
H65A H 0.3993 0.9282 0.2135 0.051 Uiso 1 1 calc R U . A 1
H65B H 0.5283 0.9309 0.2030 0.051 Uiso 1 1 calc R U . A 1
C66 C 0.4805(12) 0.9773(3) 0.2740(8) 0.038(3) Uani 0.5 1 d D . P B 1
H66A H 0.4545 0.9782 0.3274 0.057 Uiso 0.5 1 calc R U P B 1
H66B H 0.4324 0.9940 0.2339 0.057 Uiso 0.5 1 calc R U P B 1
H66C H 0.5576 0.9869 0.2807 0.057 Uiso 0.5 1 calc R U P B 1
C66' C 0.5119(11) 0.9284(4) 0.1572(7) 0.031(3) Uani 0.5 1 d D . P B 2
H66D H 0.4808 0.9498 0.1197 0.047 Uiso 0.5 1 calc R U P B 2
H66E H 0.4841 0.9028 0.1341 0.047 Uiso 0.5 1 calc R U P B 2
H66F H 0.5936 0.9289 0.1639 0.047 Uiso 0.5 1 calc R U P B 2
Cl1 Cl 0.89394(18) 0.13458(6) 0.78268(12) 0.0481(5) Uani 1 1 d . . . . .
Cl2 Cl 0.83027(15) 0.05418(5) 0.72382(11) 0.0385(4) Uani 1 1 d . . . . .
C67 C 0.9128(7) 0.0831(2) 0.7993(4) 0.051(2) Uani 1 1 d . . . . .
H67A H 0.9924 0.0765 0.8000 0.061 Uiso 1 1 calc R U . . .
H67B H 0.8945 0.0763 0.8542 0.061 Uiso 1 1 calc R U . . .
Cl3 Cl 0.3951(3) -0.04087(11) 0.4817(3) 0.0564(12) Uani 0.5 1 d D . P . .
Cl4 Cl 0.5422(3) 0.01082(12) 0.4082(3) 0.0532(11) Uani 0.5 1 d D . P . .
C68 C 0.5000 0.0000 0.5000 0.058(4) Uani 1 2 d DS . P . .
H68A H 0.4663 0.0238 0.5214 0.070 Uiso 0.5 1 calc R U P . .
H68B H 0.5649 -0.0084 0.5414 0.070 Uiso 0.5 1 calc R U P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C7 2.055(5) . ?
Pt1 C1 2.056(6) . ?
Pt1 P2 2.3113(13) . ?
Pt1 P1 2.3121(14) . ?
Pt2 C37 2.071(5) . ?
Pt2 N1 2.154(5) . ?
Pt2 P2 2.3130(14) . ?
Pt2 P1 2.3641(14) . ?
Pt2 S2 2.4121(14) . ?
Pt2 S1 2.4124(13) . ?
P1 C13 1.821(6) . ?
P1 C19 1.829(6) . ?
P2 C25 1.825(5) . ?
P2 C31 1.839(5) . ?
S1 C50 1.762(6) . ?
S2 C50 1.764(6) . ?
N1 C47 1.331(7) . ?
N1 C48 1.360(7) . ?
O C50 1.214(7) . ?
F1 C2 1.351(8) . ?
F2 C3 1.349(10) . ?
F3 C4 1.346(8) . ?
F4 C5 1.354(9) . ?
F5 C6 1.343(8) . ?
F6 C8 1.363(6) . ?
F7 C9 1.358(6) . ?
F8 C10 1.357(6) . ?
F9 C11 1.358(6) . ?
F10 C12 1.352(6) . ?
C1 C6 1.392(9) . ?
C1 C2 1.392(9) . ?
C2 C3 1.383(9) . ?
C3 C4 1.335(13) . ?
C4 C5 1.375(13) . ?
C5 C6 1.405(10) . ?
C7 C12 1.388(8) . ?
C7 C8 1.398(8) . ?
C8 C9 1.373(8) . ?
C9 C10 1.367(8) . ?
C10 C11 1.364(8) . ?
C11 C12 1.387(8) . ?
C13 C18 1.391(8) . ?
C13 C14 1.403(8) . ?
C14 C15 1.403(8) . ?
C15 C16 1.391(9) . ?
C16 C17 1.370(9) . ?
C17 C18 1.387(9) . ?
C19 C24 1.382(8) . ?
C19 C20 1.401(8) . ?
C20 C21 1.385(8) . ?
C21 C22 1.380(9) . ?
C22 C23 1.373(10) . ?
C23 C24 1.402(8) . ?
C25 C26 1.393(8) . ?
C25 C30 1.395(8) . ?
C26 C27 1.388(8) . ?
C27 C28 1.371(9) . ?
C28 C29 1.379(9) . ?
C29 C30 1.398(8) . ?
C31 C32 1.385(8) . ?
C31 C36 1.400(8) . ?
C32 C33 1.389(8) . ?
C33 C34 1.374(9) . ?
C34 C35 1.385(9) . ?
C35 C36 1.394(8) . ?
C37 C38 1.387(7) . ?
C37 C49 1.420(8) . ?
C38 C39 1.420(8) . ?
C39 C40 1.376(9) . ?
C40 C41 1.403(9) . ?
C41 C49 1.426(8) . ?
C41 C42 1.437(8) . ?
C42 C43 1.342(10) . ?
C43 C44 1.432(9) . ?
C44 C45 1.400(9) . ?
C44 C48 1.406(8) . ?
C45 C46 1.373(10) . ?
C46 C47 1.394(8) . ?
C48 C49 1.423(8) . ?
N2 C59 1.510(7) . ?
N2 C55 1.521(8) . ?
N2 C51 1.523(8) . ?
N2 C63 1.529(8) . ?
C51 C52 1.515(9) . ?
C52 C53 1.522(9) . ?
C53 C54 1.520(10) . ?
C55 C56 1.520(9) . ?
C56 C57 1.520(8) . ?
C57 C58 1.502(9) . ?
C59 C60 1.519(8) . ?
C60 C61 1.518(8) . ?
C61 C62 1.528(9) . ?
C63 C64 1.493(10) . ?
C64 C65 1.516(10) . ?
C65 C66 1.529(11) . ?
C65 C66' 1.548(11) . ?
Cl1 C67 1.762(8) . ?
Cl2 C67 1.751(8) . ?
Cl3 C68 1.864(4) . ?
Cl3 Cl4 2.098(7) 3_656 ?
Cl4 C68 1.709(4) . ?
Cl4 Cl3 2.098(7) 3_656 ?

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
C7 Pt1 C1 89.8(2) . . ?
C7 Pt1 P2 94.33(15) . . ?
C1 Pt1 P2 175.03(17) . . ?
C7 Pt1 P1 172.44(15) . . ?
C1 Pt1 P1 96.94(16) . . ?
P2 Pt1 P1 79.15(5) . . ?
C37 Pt2 N1 80.2(2) . . ?
C37 Pt2 P2 94.45(15) . . ?
N1 Pt2 P2 173.92(13) . . ?
C37 Pt2 P1 83.60(15) . . ?
N1 Pt2 P1 98.43(13) . . ?
P2 Pt2 P1 78.06(5) . . ?
C37 Pt2 S2 99.53(15) . . ?
N1 Pt2 S2 88.42(12) . . ?
P2 Pt2 S2 95.27(5) . . ?
P1 Pt2 S2 172.89(5) . . ?
C37 Pt2 S1 168.30(16) . . ?
N1 Pt2 S1 90.13(13) . . ?
P2 Pt2 S1 95.54(5) . . ?
P1 Pt2 S1 104.42(5) . . ?
S2 Pt2 S1 73.50(5) . . ?
C13 P1 C19 103.2(3) . . ?
C13 P1 Pt1 109.93(19) . . ?
C19 P1 Pt1 120.74(18) . . ?
C13 P1 Pt2 115.41(19) . . ?
C19 P1 Pt2 109.08(18) . . ?
Pt1 P1 Pt2 99.14(5) . . ?
C25 P2 C31 100.9(3) . . ?
C25 P2 Pt1 114.62(19) . . ?
C31 P2 Pt1 116.17(17) . . ?
C25 P2 Pt2 110.14(17) . . ?
C31 P2 Pt2 114.81(18) . . ?
Pt1 P2 Pt2 100.66(5) . . ?
C50 S1 Pt2 88.16(19) . . ?
C50 S2 Pt2 88.1(2) . . ?
C47 N1 C48 119.1(5) . . ?
C47 N1 Pt2 128.2(4) . . ?
C48 N1 Pt2 112.7(4) . . ?
C6 C1 C2 114.0(6) . . ?
C6 C1 Pt1 124.5(5) . . ?
C2 C1 Pt1 121.5(5) . . ?
F1 C2 C3 116.3(7) . . ?
F1 C2 C1 119.8(5) . . ?
C3 C2 C1 123.8(7) . . ?
C4 C3 F2 118.8(7) . . ?
C4 C3 C2 120.7(8) . . ?
F2 C3 C2 120.4(8) . . ?
C3 C4 F3 122.3(9) . . ?
C3 C4 C5 118.8(7) . . ?
F3 C4 C5 118.9(9) . . ?
F4 C5 C4 120.4(7) . . ?
F4 C5 C6 119.1(8) . . ?
C4 C5 C6 120.5(7) . . ?
F5 C6 C1 119.9(6) . . ?
F5 C6 C5 118.0(6) . . ?
C1 C6 C5 122.1(7) . . ?
C12 C7 C8 113.3(5) . . ?
C12 C7 Pt1 123.6(4) . . ?
C8 C7 Pt1 122.9(4) . . ?
F6 C8 C9 116.4(5) . . ?
F6 C8 C7 119.4(5) . . ?
C9 C8 C7 124.2(5) . . ?
F7 C9 C10 119.8(5) . . ?
F7 C9 C8 120.7(5) . . ?
C10 C9 C8 119.5(5) . . ?
F8 C10 C11 120.5(5) . . ?
F8 C10 C9 120.0(5) . . ?
C11 C10 C9 119.5(5) . . ?
F9 C11 C10 119.7(5) . . ?
F9 C11 C12 120.7(5) . . ?
C10 C11 C12 119.6(5) . . ?
F10 C12 C11 116.6(5) . . ?
F10 C12 C7 119.6(5) . . ?
C11 C12 C7 123.8(5) . . ?
C18 C13 C14 117.9(5) . . ?
C18 C13 P1 120.6(4) . . ?
C14 C13 P1 121.0(4) . . ?
C15 C14 C13 120.7(6) . . ?
C16 C15 C14 120.0(6) . . ?
C17 C16 C15 119.1(6) . . ?
C16 C17 C18 121.3(6) . . ?
C17 C18 C13 120.9(6) . . ?
C24 C19 C20 119.4(5) . . ?
C24 C19 P1 120.2(4) . . ?
C20 C19 P1 120.2(4) . . ?
C21 C20 C19 120.2(6) . . ?
C22 C21 C20 120.3(6) . . ?
C23 C22 C21 119.8(6) . . ?
C22 C23 C24 120.7(6) . . ?
C19 C24 C23 119.6(6) . . ?
C26 C25 C30 119.5(5) . . ?
C26 C25 P2 119.9(4) . . ?
C30 C25 P2 120.5(4) . . ?
C27 C26 C25 119.9(5) . . ?
C28 C27 C26 120.4(6) . . ?
C27 C28 C29 120.5(5) . . ?
C28 C29 C30 120.0(5) . . ?
C25 C30 C29 119.6(5) . . ?
C32 C31 C36 118.3(5) . . ?
C32 C31 P2 117.1(4) . . ?
C36 C31 P2 124.4(4) . . ?
C31 C32 C33 120.9(5) . . ?
C34 C33 C32 120.7(6) . . ?
C33 C34 C35 119.2(6) . . ?
C34 C35 C36 120.5(6) . . ?
C35 C36 C31 120.2(5) . . ?
C38 C37 C49 117.9(5) . . ?
C38 C37 Pt2 130.7(4) . . ?
C49 C37 Pt2 111.3(4) . . ?
C37 C38 C39 120.1(5) . . ?
C40 C39 C38 121.8(6) . . ?
C39 C40 C41 119.9(5) . . ?
C40 C41 C49 118.2(5) . . ?
C40 C41 C42 123.6(6) . . ?
C49 C41 C42 118.1(6) . . ?
C43 C42 C41 122.5(6) . . ?
C42 C43 C44 120.9(6) . . ?
C45 C44 C48 117.9(6) . . ?
C45 C44 C43 124.2(6) . . ?
C48 C44 C43 117.8(6) . . ?
C46 C45 C44 119.5(6) . . ?
C45 C46 C47 119.5(6) . . ?
N1 C47 C46 122.2(6) . . ?
N1 C48 C44 121.8(5) . . ?
N1 C48 C49 116.0(5) . . ?
C44 C48 C49 122.2(5) . . ?
C37 C49 C48 119.6(5) . . ?
C37 C49 C41 122.0(5) . . ?
C48 C49 C41 118.3(5) . . ?
O C50 S1 124.9(5) . . ?
O C50 S2 125.2(5) . . ?
S1 C50 S2 109.9(3) . . ?
C59 N2 C55 111.0(5) . . ?
C59 N2 C51 111.3(5) . . ?
C55 N2 C51 106.6(4) . . ?
C59 N2 C63 105.9(4) . . ?
C55 N2 C63 111.2(5) . . ?
C51 N2 C63 110.7(5) . . ?
C52 C51 N2 116.1(5) . . ?
C51 C52 C53 111.4(5) . . ?
C54 C53 C52 112.1(6) . . ?
C56 C55 N2 114.8(5) . . ?
C55 C56 C57 112.0(5) . . ?
C58 C57 C56 111.6(5) . . ?
N2 C59 C60 116.6(5) . . ?
C61 C60 C59 110.5(5) . . ?
C60 C61 C62 113.1(6) . . ?
C64 C63 N2 115.6(5) . . ?
C63 C64 C65 111.4(6) . . ?
C64 C65 C66 108.8(7) . . ?
C64 C65 C66' 124.3(8) . . ?
Cl2 C67 Cl1 113.2(4) . . ?
C68 Cl3 Cl4 50.70(13) . 3_656 ?
C68 Cl4 Cl3 57.57(15) . 3_656 ?
Cl4 C68 Cl3 108.3(2) . . ?

_refine_diff_density_max         2.665
_refine_diff_density_min         -2.538
_refine_diff_density_rms         0.155

_shelxl_version_number           2013-4

