# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1557379'
_audit_update_record             
;
2017-06-20 deposited with the CCDC.	2019-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H33 N6 Pt2, F6 P, 2(C H2 Cl2)'
_chemical_formula_sum            'C49 H37 Cl4 F6 N6 P Pt2'
_chemical_formula_weight         1386.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.3294(2)
_cell_length_b                   14.2532(2)
_cell_length_c                   15.2190(3)
_cell_angle_alpha                116.327(2)
_cell_angle_beta                 110.712(2)
_cell_angle_gamma                95.0050(10)
_cell_volume                     2318.99(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    21082
_cell_measurement_theta_min      3.5740
_cell_measurement_theta_max      75.6940

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_F_000             1332
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2251
_exptl_crystal_size_mid          0.1513
_exptl_crystal_size_min          0.0939
_exptl_absorpt_coefficient_mu    14.152
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_T_max  0.652
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2940
_diffrn_reflns_number            26257
_diffrn_reflns_av_unetI/netI     0.0188
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.579
_diffrn_reflns_theta_max         75.847
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             9361
_reflns_number_gt                9206
_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 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0238P)²+3.4891P] 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         9361
_refine_ls_number_parameters     641
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0200
_refine_ls_wR_factor_ref         0.0510
_refine_ls_wR_factor_gt          0.0507
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3387(2) 0.4136(2) 0.8633(2) 0.0147(5) Uani 1 1 d . . . . .
H1 H 0.4057 0.3963 0.8913 0.018 Uiso 1 1 calc R U . . .
C2 C 0.3250(3) 0.5115(2) 0.9293(2) 0.0186(6) Uani 1 1 d . . . . .
H2 H 0.3805 0.5595 1.0021 0.022 Uiso 1 1 calc R U . . .
C3 C 0.2284(3) 0.5379(2) 0.8868(2) 0.0205(6) Uani 1 1 d . . . . .
H3 H 0.2182 0.6056 0.9295 0.025 Uiso 1 1 calc R U . . .
C4 C 0.1473(3) 0.4649(2) 0.7817(2) 0.0194(6) Uani 1 1 d . . . . .
H4 H 0.0812 0.4826 0.7520 0.023 Uiso 1 1 calc R U . . .
C5 C 0.1625(2) 0.3657(2) 0.7194(2) 0.0147(5) Uani 1 1 d . . . . .
C6 C 0.0816(2) 0.2784(2) 0.6095(2) 0.0160(5) Uani 1 1 d . . . . .
C7 C 0.1192(2) 0.1865(2) 0.5713(2) 0.0142(5) Uani 1 1 d . . . . .
C8 C 0.0575(2) 0.0935(2) 0.4684(2) 0.0167(5) Uani 1 1 d . . . . .
C9 C -0.0468(3) 0.0918(3) 0.4019(2) 0.0234(6) Uani 1 1 d . . . . .
H9 H -0.0911 0.0291 0.3317 0.028 Uiso 1 1 calc R U . . .
C10 C -0.0861(3) 0.1829(3) 0.4390(3) 0.0252(6) Uani 1 1 d . . . . .
H10 H -0.1572 0.1816 0.3932 0.030 Uiso 1 1 calc R U . . .
C11 C -0.0231(2) 0.2760(3) 0.5422(2) 0.0217(6) Uani 1 1 d . . . . .
H11 H -0.0512 0.3370 0.5663 0.026 Uiso 1 1 calc R U . . .
C12 C 0.1169(2) 0.0096(2) 0.4459(2) 0.0176(5) Uani 1 1 d . . . . .
C13 C 0.0737(3) -0.0941(2) 0.3545(2) 0.0232(6) Uani 1 1 d . . . . .
H13 H 0.0006 -0.1155 0.2982 0.028 Uiso 1 1 calc R U . . .
C14 C 0.1376(3) -0.1667(2) 0.3452(3) 0.0275(7) Uani 1 1 d . . . . .
H14 H 0.1083 -0.2382 0.2828 0.033 Uiso 1 1 calc R U . . .
C15 C 0.2443(3) -0.1340(2) 0.4276(3) 0.0251(6) Uani 1 1 d . . . . .
H15 H 0.2892 -0.1827 0.4229 0.030 Uiso 1 1 calc R U . . .
C16 C 0.2839(3) -0.0299(2) 0.5163(2) 0.0196(6) Uani 1 1 d . . . . .
H16 H 0.3571 -0.0075 0.5727 0.024 Uiso 1 1 calc R U . . .
C17 C 0.3816(3) 0.1338(2) 0.4481(2) 0.0180(5) Uani 1 1 d . . . . .
H17 H 0.4477 0.1339 0.4997 0.022 Uiso 1 1 calc R U . . .
C18 C 0.3282(3) 0.0438(2) 0.3433(2) 0.0225(6) Uani 1 1 d . . . . .
H18 H 0.3577 -0.0167 0.3232 0.027 Uiso 1 1 calc R U . . .
C19 C 0.2314(3) 0.0431(2) 0.2686(2) 0.0247(6) Uani 1 1 d . . . . .
H19 H 0.1930 -0.0187 0.1969 0.030 Uiso 1 1 calc R U . . .
C20 C 0.1906(3) 0.1329(2) 0.2985(2) 0.0213(6) Uani 1 1 d . . . . .
H20 H 0.1242 0.1331 0.2474 0.026 Uiso 1 1 calc R U . . .
C21 C 0.2478(2) 0.2230(2) 0.4042(2) 0.0156(5) Uani 1 1 d . . . . .
C22 C 0.2171(2) 0.3248(2) 0.4477(2) 0.0154(5) Uani 1 1 d . . . . .
C23 C 0.2935(2) 0.4017(2) 0.5549(2) 0.0120(5) Uani 1 1 d . . . . .
C24 C 0.2782(2) 0.5020(2) 0.6153(2) 0.0142(5) Uani 1 1 d . . . . .
C25 C 0.1837(2) 0.5278(2) 0.5643(2) 0.0182(5) Uani 1 1 d . . . . .
H25 H 0.1714 0.5958 0.6026 0.022 Uiso 1 1 calc R U . . .
C26 C 0.1080(2) 0.4517(2) 0.4561(2) 0.0200(6) Uani 1 1 d . . . . .
H26 H 0.0443 0.4694 0.4214 0.024 Uiso 1 1 calc R U . . .
C27 C 0.1231(2) 0.3505(2) 0.3974(2) 0.0199(6) Uani 1 1 d . . . . .
H27 H 0.0700 0.2999 0.3242 0.024 Uiso 1 1 calc R U . . .
C28 C 0.3669(2) 0.5662(2) 0.7274(2) 0.0135(5) Uani 1 1 d . . . . .
C29 C 0.3785(2) 0.6722(2) 0.8032(2) 0.0179(5) Uani 1 1 d . . . . .
H29 H 0.3240 0.7076 0.7855 0.021 Uiso 1 1 calc R U . . .
C30 C 0.4705(3) 0.7265(2) 0.9053(2) 0.0192(6) Uani 1 1 d . . . . .
H30 H 0.4789 0.7988 0.9581 0.023 Uiso 1 1 calc R U . . .
C31 C 0.5494(2) 0.6736(2) 0.9289(2) 0.0186(5) Uani 1 1 d . . . . .
H31 H 0.6138 0.7101 0.9973 0.022 Uiso 1 1 calc R U . . .
C32 C 0.5334(2) 0.5666(2) 0.8515(2) 0.0149(5) Uani 1 1 d . . . . .
H32 H 0.5873 0.5303 0.8684 0.018 Uiso 1 1 calc R U . . .
C33 C 0.3668(2) 0.0902(2) 0.8136(2) 0.0155(5) Uani 1 1 d . . . . .
H33 H 0.3206 0.1325 0.7963 0.019 Uiso 1 1 calc R U . . .
C34 C 0.3293(2) 0.0148(2) 0.8382(2) 0.0181(5) Uani 1 1 d . . . . .
H34 H 0.2577 0.0061 0.8380 0.022 Uiso 1 1 calc R U . . .
C35 C 0.3957(3) -0.0475(2) 0.8629(2) 0.0201(6) Uani 1 1 d . . . . .
H35 H 0.3696 -0.0990 0.8794 0.024 Uiso 1 1 calc R U . . .
C36 C 0.5006(3) -0.0348(2) 0.8635(2) 0.0208(6) Uani 1 1 d . . . . .
H36 H 0.5463 -0.0777 0.8802 0.025 Uiso 1 1 calc R U . . .
C37 C 0.5386(2) 0.0408(2) 0.8396(2) 0.0165(5) Uani 1 1 d . . . . .
H37 H 0.6105 0.0496 0.8407 0.020 Uiso 1 1 calc R U . . .
C38 C 0.4723(2) 0.1039(2) 0.8142(2) 0.0136(5) Uani 1 1 d . . . . .
C39 C 0.5158(2) 0.1843(2) 0.7905(2) 0.0130(5) Uani 1 1 d . . . . .
C40 C 0.6264(2) 0.2326(2) 0.8185(2) 0.0147(5) Uani 1 1 d . . . . .
H40 H 0.6921 0.2213 0.8588 0.018 Uiso 1 1 calc R U . . .
C41 C 0.6202(2) 0.3012(2) 0.7748(2) 0.0132(5) Uani 1 1 d . . . . .
C42 C 0.7126(2) 0.3740(2) 0.7824(2) 0.0161(5) Uani 1 1 d . . . . .
C43 C 0.8233(2) 0.3939(2) 0.8528(2) 0.0221(6) Uani 1 1 d . . . . .
H43 H 0.8390 0.3600 0.8957 0.027 Uiso 1 1 calc R U . . .
C44 C 0.9107(3) 0.4627(3) 0.8608(3) 0.0277(7) Uani 1 1 d . . . . .
H44 H 0.9857 0.4751 0.9087 0.033 Uiso 1 1 calc R U . . .
C45 C 0.8894(3) 0.5135(2) 0.7994(3) 0.0274(7) Uani 1 1 d . . . . .
H45 H 0.9494 0.5607 0.8053 0.033 Uiso 1 1 calc R U . . .
C46 C 0.7813(3) 0.4949(3) 0.7304(4) 0.0366(8) Uani 1 1 d . . . . .
H46 H 0.7659 0.5294 0.6882 0.044 Uiso 1 1 calc R U . . .
C47 C 0.6936(3) 0.4254(3) 0.7219(3) 0.0307(7) Uani 1 1 d . . . . .
H47 H 0.6189 0.4129 0.6733 0.037 Uiso 1 1 calc R U . . .
C48 C 0.4657(4) 0.6321(3) 0.5615(4) 0.0445(10) Uani 1 1 d . . . . .
H48A H 0.4115 0.5624 0.5343 0.053 Uiso 1 1 calc R U . . .
H48B H 0.4877 0.6232 0.5032 0.053 Uiso 1 1 calc R U . . .
N1 N 0.26041(19) 0.34241(17) 0.76102(18) 0.0130(4) Uani 1 1 d . . . . .
N2 N 0.2233(2) 0.04193(18) 0.52674(18) 0.0155(4) Uani 1 1 d . . . . .
N3 N 0.44693(18) 0.22208(18) 0.73358(18) 0.0128(4) Uani 1 1 d . . . . .
N4 N 0.51109(18) 0.29410(17) 0.72316(18) 0.0126(4) Uani 1 1 d . . . . .
N5 N 0.34225(19) 0.22156(18) 0.47908(18) 0.0141(4) Uani 1 1 d . . . . .
N6 N 0.44363(19) 0.51304(18) 0.75337(18) 0.0127(4) Uani 1 1 d . . . . .
F1 F 0.73958(15) 0.19660(15) 1.05993(15) 0.0277(4) Uani 1 1 d . . . . .
F2 F 0.86984(16) 0.24155(18) 1.01164(16) 0.0323(4) Uani 1 1 d . . . . .
F3 F 0.8249(2) 0.07255(16) 0.98860(15) 0.0399(5) Uani 1 1 d . . . . .
F4 F 0.86480(17) 0.14820(15) 1.16767(15) 0.0294(4) Uani 1 1 d . . . . .
F5 F 0.99448(16) 0.19435(18) 1.11916(16) 0.0314(4) Uani 1 1 d . . . . .
F6 F 0.90766(15) 0.31657(14) 1.19007(14) 0.0261(4) Uani 1 1 d . . . . .
P1 P 0.86662(6) 0.19325(6) 1.08926(5) 0.01650(13) Uani 1 1 d . . . . .
Pt1 Pt 0.27054(2) 0.19670(2) 0.65560(2) 0.01054(4) Uani 1 1 d . . . . .
Pt2 Pt 0.40975(2) 0.35751(2) 0.63103(2) 0.01053(4) Uani 1 1 d . . . . .
Cl1 Cl 0.40008(10) 0.73614(8) 0.58832(8) 0.0460(2) Uani 1 1 d . . . . .
Cl2 Cl 0.58398(10) 0.65864(11) 0.67593(11) 0.0590(3) Uani 1 1 d . . . . .
Cl3 Cl 1.0915(3) 0.0984(2) 0.9147(2) 0.0407(9) Uani 0.74(3) 1 d D U P A 1
C49 C 1.1149(12) 0.2404(8) 0.9935(10) 0.042(3) Uani 0.74(3) 1 d D U P A 1
H49A H 1.1789 0.2696 1.0659 0.050 Uiso 0.74(3) 1 calc R U P A 1
H49B H 1.0478 0.2540 1.0052 0.050 Uiso 0.74(3) 1 calc R U P A 1
Cl4 Cl 1.1436(4) 0.3099(5) 0.9299(5) 0.0365(11) Uani 0.74(3) 1 d D U P A 1
Cl3A Cl 1.131(3) 0.116(2) 0.953(4) 0.096(6) Uani 0.26(3) 1 d D U P A 2
C49A C 1.093(4) 0.236(3) 0.975(4) 0.048(7) Uani 0.26(3) 1 d D U P A 2
H49C H 1.0103 0.2182 0.9398 0.058 Uiso 0.26(3) 1 calc R U P A 2
H49D H 1.1198 0.2861 1.0543 0.058 Uiso 0.26(3) 1 calc R U P A 2
Cl4A Cl 1.1485(10) 0.3032(13) 0.9231(13) 0.032(3) Uani 0.26(3) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.344(3) . ?
C1 C2 1.386(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.389(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.383(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(4) . ?
C4 H4 0.9500 . ?
C5 N1 1.376(4) . ?
C5 C6 1.467(4) . ?
C6 C11 1.396(4) . ?
C6 C7 1.396(4) . ?
C7 C8 1.393(4) . ?
C7 Pt1 1.921(3) . ?
C8 C9 1.391(4) . ?
C8 C12 1.473(4) . ?
C9 C10 1.399(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.398(4) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 N2 1.373(4) . ?
C12 C13 1.383(4) . ?
C13 C14 1.388(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.374(4) . ?
C15 H15 0.9500 . ?
C16 N2 1.347(4) . ?
C16 H16 0.9500 . ?
C17 N5 1.352(4) . ?
C17 C18 1.385(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(4) . ?
C20 H20 0.9500 . ?
C21 N5 1.377(4) . ?
C21 C22 1.469(4) . ?
C22 C27 1.392(4) . ?
C22 C23 1.394(4) . ?
C23 C24 1.396(4) . ?
C23 Pt2 1.921(3) . ?
C24 C25 1.402(4) . ?
C24 C28 1.465(4) . ?
C25 C26 1.398(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.398(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 N6 1.375(3) . ?
C28 C29 1.387(4) . ?
C29 C30 1.391(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.384(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.389(4) . ?
C31 H31 0.9500 . ?
C32 N6 1.345(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.394(4) . ?
C33 C38 1.399(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.391(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.389(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.395(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.476(3) . ?
C39 N3 1.349(3) . ?
C39 C40 1.395(4) . ?
C40 C41 1.398(4) . ?
C40 H40 0.9500 . ?
C41 N4 1.356(3) . ?
C41 C42 1.477(4) . ?
C42 C47 1.382(4) . ?
C42 C43 1.395(4) . ?
C43 C44 1.388(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.388(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.366(5) . ?
C45 H45 0.9500 . ?
C46 C47 1.393(4) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 Cl2 1.742(5) . ?
C48 Cl1 1.752(4) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
N1 Pt1 2.038(2) . ?
N2 Pt1 2.039(2) . ?
N3 N4 1.377(3) . ?
N3 Pt1 2.136(2) . ?
N4 Pt2 2.146(2) . ?
N5 Pt2 2.040(2) . ?
N6 Pt2 2.038(2) . ?
F1 P1 1.6023(19) . ?
F2 P1 1.6196(18) . ?
F3 P1 1.5839(19) . ?
F4 P1 1.5919(18) . ?
F5 P1 1.5976(19) . ?
F6 P1 1.6091(18) . ?
Pt1 Pt2 3.05696(14) . ?
Cl3 C49 1.762(10) . ?
C49 Cl4 1.764(7) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
Cl3A C49A 1.749(19) . ?
C49A Cl4A 1.741(19) . ?
C49A H49C 0.9900 . ?
C49A H49D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.2(3) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 118.6(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 119.8(3) . . ?
N1 C5 C6 114.1(2) . . ?
C4 C5 C6 126.1(3) . . ?
C11 C6 C7 118.4(3) . . ?
C11 C6 C5 129.3(3) . . ?
C7 C6 C5 112.3(2) . . ?
C8 C7 C6 122.8(3) . . ?
C8 C7 Pt1 118.4(2) . . ?
C6 C7 Pt1 118.2(2) . . ?
C9 C8 C7 118.4(3) . . ?
C9 C8 C12 129.2(3) . . ?
C7 C8 C12 112.4(2) . . ?
C8 C9 C10 119.6(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 121.5(3) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C6 C11 C10 119.4(3) . . ?
C6 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
N2 C12 C13 120.5(3) . . ?
N2 C12 C8 113.8(2) . . ?
C13 C12 C8 125.7(3) . . ?
C12 C13 C14 119.8(3) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 119.4(3) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C16 C15 C14 118.6(3) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
N2 C16 C15 122.9(3) . . ?
N2 C16 H16 118.6 . . ?
C15 C16 H16 118.6 . . ?
N5 C17 C18 121.8(3) . . ?
N5 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C19 C18 C17 119.2(3) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 C20 119.8(3) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C19 C20 C21 119.5(3) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
N5 C21 C20 120.3(3) . . ?
N5 C21 C22 113.6(2) . . ?
C20 C21 C22 126.2(3) . . ?
C27 C22 C23 118.7(2) . . ?
C27 C22 C21 128.6(3) . . ?
C23 C22 C21 112.7(2) . . ?
C22 C23 C24 122.9(2) . . ?
C22 C23 Pt2 118.26(19) . . ?
C24 C23 Pt2 117.87(19) . . ?
C23 C24 C25 118.3(2) . . ?
C23 C24 C28 112.7(2) . . ?
C25 C24 C28 129.0(2) . . ?
C26 C25 C24 118.9(3) . . ?
C26 C25 H25 120.5 . . ?
C24 C25 H25 120.5 . . ?
C27 C26 C25 122.1(3) . . ?
C27 C26 H26 118.9 . . ?
C25 C26 H26 118.9 . . ?
C22 C27 C26 119.1(3) . . ?
C22 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
N6 C28 C29 120.6(2) . . ?
N6 C28 C24 113.9(2) . . ?
C29 C28 C24 125.4(2) . . ?
C28 C29 C30 119.7(3) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 119.1(3) . . ?
C31 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C30 C31 C32 119.3(3) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
N6 C32 C31 121.8(3) . . ?
N6 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
C34 C33 C38 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C38 C33 H33 119.9 . . ?
C35 C34 C33 120.3(3) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C36 C35 119.9(3) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C36 C37 C38 120.8(3) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C37 C38 C33 118.8(2) . . ?
C37 C38 C39 119.4(2) . . ?
C33 C38 C39 121.8(2) . . ?
N3 C39 C40 109.0(2) . . ?
N3 C39 C38 121.8(2) . . ?
C40 C39 C38 129.2(2) . . ?
C39 C40 C41 105.6(2) . . ?
C39 C40 H40 127.2 . . ?
C41 C40 H40 127.2 . . ?
N4 C41 C40 108.9(2) . . ?
N4 C41 C42 122.5(2) . . ?
C40 C41 C42 128.6(3) . . ?
C47 C42 C43 117.8(3) . . ?
C47 C42 C41 122.1(3) . . ?
C43 C42 C41 120.2(3) . . ?
C44 C43 C42 120.5(3) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C45 C44 C43 120.6(3) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C46 C45 C44 119.3(3) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C45 C46 C47 120.1(3) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C42 C47 C46 121.7(3) . . ?
C42 C47 H47 119.2 . . ?
C46 C47 H47 119.2 . . ?
Cl2 C48 Cl1 112.9(2) . . ?
Cl2 C48 H48A 109.0 . . ?
Cl1 C48 H48A 109.0 . . ?
Cl2 C48 H48B 109.0 . . ?
Cl1 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
C1 N1 C5 119.7(2) . . ?
C1 N1 Pt1 126.10(19) . . ?
C5 N1 Pt1 114.17(17) . . ?
C16 N2 C12 118.8(2) . . ?
C16 N2 Pt1 126.7(2) . . ?
C12 N2 Pt1 114.50(18) . . ?
C39 N3 N4 108.5(2) . . ?
C39 N3 Pt1 137.11(18) . . ?
N4 N3 Pt1 114.37(16) . . ?
C41 N4 N3 108.0(2) . . ?
C41 N4 Pt2 140.17(17) . . ?
N3 N4 Pt2 111.82(16) . . ?
C17 N5 C21 119.4(2) . . ?
C17 N5 Pt2 126.0(2) . . ?
C21 N5 Pt2 114.56(17) . . ?
C32 N6 C28 119.3(2) . . ?
C32 N6 Pt2 126.41(18) . . ?
C28 N6 Pt2 114.21(17) . . ?
F3 P1 F4 91.12(11) . . ?
F3 P1 F5 90.99(12) . . ?
F4 P1 F5 90.16(11) . . ?
F3 P1 F1 90.51(11) . . ?
F4 P1 F1 91.31(11) . . ?
F5 P1 F1 177.88(11) . . ?
F3 P1 F6 178.96(12) . . ?
F4 P1 F6 89.73(10) . . ?
F5 P1 F6 89.60(11) . . ?
F1 P1 F6 88.87(10) . . ?
F3 P1 F2 90.03(12) . . ?
F4 P1 F2 178.83(12) . . ?
F5 P1 F2 89.59(10) . . ?
F1 P1 F2 88.90(10) . . ?
F6 P1 F2 89.13(11) . . ?
C7 Pt1 N1 80.53(10) . . ?
C7 Pt1 N2 80.52(11) . . ?
N1 Pt1 N2 160.48(9) . . ?
C7 Pt1 N3 169.07(9) . . ?
N1 Pt1 N3 99.41(9) . . ?
N2 Pt1 N3 100.08(9) . . ?
C7 Pt1 Pt2 102.97(7) . . ?
N1 Pt1 Pt2 78.49(6) . . ?
N2 Pt1 Pt2 110.44(6) . . ?
N3 Pt1 Pt2 66.49(6) . . ?
C23 Pt2 N6 80.62(10) . . ?
C23 Pt2 N5 80.37(10) . . ?
N6 Pt2 N5 160.60(9) . . ?
C23 Pt2 N4 167.17(9) . . ?
N6 Pt2 N4 99.93(9) . . ?
N5 Pt2 N4 99.47(9) . . ?
C23 Pt2 Pt1 100.30(7) . . ?
N6 Pt2 Pt1 109.56(6) . . ?
N5 Pt2 Pt1 77.74(6) . . ?
N4 Pt2 Pt1 67.32(6) . . ?
Cl3 C49 Cl4 111.8(6) . . ?
Cl3 C49 H49A 109.2 . . ?
Cl4 C49 H49A 109.2 . . ?
Cl3 C49 H49B 109.2 . . ?
Cl4 C49 H49B 109.2 . . ?
H49A C49 H49B 107.9 . . ?
Cl4A C49A Cl3A 112.3(15) . . ?
Cl4A C49A H49C 109.2 . . ?
Cl3A C49A H49C 109.2 . . ?
Cl4A C49A H49D 109.2 . . ?
Cl3A C49A H49D 109.2 . . ?
H49C C49A H49D 107.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -2.0(4) . . . . ?
C1 C2 C3 C4 2.1(4) . . . . ?
C2 C3 C4 C5 0.2(4) . . . . ?
C3 C4 C5 N1 -2.8(4) . . . . ?
C3 C4 C5 C6 176.7(3) . . . . ?
N1 C5 C6 C11 -177.6(3) . . . . ?
C4 C5 C6 C11 3.0(5) . . . . ?
N1 C5 C6 C7 2.8(3) . . . . ?
C4 C5 C6 C7 -176.7(2) . . . . ?
C11 C6 C7 C8 1.1(4) . . . . ?
C5 C6 C7 C8 -179.2(2) . . . . ?
C11 C6 C7 Pt1 172.2(2) . . . . ?
C5 C6 C7 Pt1 -8.1(3) . . . . ?
C6 C7 C8 C9 -1.2(4) . . . . ?
Pt1 C7 C8 C9 -172.2(2) . . . . ?
C6 C7 C8 C12 177.9(2) . . . . ?
Pt1 C7 C8 C12 6.9(3) . . . . ?
C7 C8 C9 C10 0.8(4) . . . . ?
C12 C8 C9 C10 -178.1(3) . . . . ?
C8 C9 C10 C11 -0.4(5) . . . . ?
C7 C6 C11 C10 -0.7(4) . . . . ?
C5 C6 C11 C10 179.7(3) . . . . ?
C9 C10 C11 C6 0.3(4) . . . . ?
C9 C8 C12 N2 174.8(3) . . . . ?
C7 C8 C12 N2 -4.1(3) . . . . ?
C9 C8 C12 C13 -6.2(5) . . . . ?
C7 C8 C12 C13 174.9(3) . . . . ?
N2 C12 C13 C14 1.1(4) . . . . ?
C8 C12 C13 C14 -177.8(3) . . . . ?
C12 C13 C14 C15 -0.4(4) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C15 C16 N2 0.1(4) . . . . ?
N5 C17 C18 C19 -0.6(4) . . . . ?
C17 C18 C19 C20 1.3(4) . . . . ?
C18 C19 C20 C21 -0.1(4) . . . . ?
C19 C20 C21 N5 -1.8(4) . . . . ?
C19 C20 C21 C22 178.6(3) . . . . ?
N5 C21 C22 C27 -175.0(3) . . . . ?
C20 C21 C22 C27 4.6(5) . . . . ?
N5 C21 C22 C23 3.1(3) . . . . ?
C20 C21 C22 C23 -177.3(3) . . . . ?
C27 C22 C23 C24 2.2(4) . . . . ?
C21 C22 C23 C24 -176.1(2) . . . . ?
C27 C22 C23 Pt2 170.5(2) . . . . ?
C21 C22 C23 Pt2 -7.8(3) . . . . ?
C22 C23 C24 C25 -2.4(4) . . . . ?
Pt2 C23 C24 C25 -170.72(19) . . . . ?
C22 C23 C24 C28 177.1(2) . . . . ?
Pt2 C23 C24 C28 8.8(3) . . . . ?
C23 C24 C25 C26 1.0(4) . . . . ?
C28 C24 C25 C26 -178.3(3) . . . . ?
C24 C25 C26 C27 0.4(4) . . . . ?
C23 C22 C27 C26 -0.6(4) . . . . ?
C21 C22 C27 C26 177.4(3) . . . . ?
C25 C26 C27 C22 -0.7(4) . . . . ?
C23 C24 C28 N6 -3.9(3) . . . . ?
C25 C24 C28 N6 175.5(3) . . . . ?
C23 C24 C28 C29 174.6(2) . . . . ?
C25 C24 C28 C29 -6.0(4) . . . . ?
N6 C28 C29 C30 2.0(4) . . . . ?
C24 C28 C29 C30 -176.3(2) . . . . ?
C28 C29 C30 C31 0.5(4) . . . . ?
C29 C30 C31 C32 -1.9(4) . . . . ?
C30 C31 C32 N6 0.7(4) . . . . ?
C38 C33 C34 C35 -0.3(4) . . . . ?
C33 C34 C35 C36 0.2(4) . . . . ?
C34 C35 C36 C37 0.2(4) . . . . ?
C35 C36 C37 C38 -0.4(4) . . . . ?
C36 C37 C38 C33 0.3(4) . . . . ?
C36 C37 C38 C39 179.3(2) . . . . ?
C34 C33 C38 C37 0.1(4) . . . . ?
C34 C33 C38 C39 -178.9(2) . . . . ?
C37 C38 C39 N3 158.8(2) . . . . ?
C33 C38 C39 N3 -22.2(4) . . . . ?
C37 C38 C39 C40 -20.6(4) . . . . ?
C33 C38 C39 C40 158.4(3) . . . . ?
N3 C39 C40 C41 -0.3(3) . . . . ?
C38 C39 C40 C41 179.2(2) . . . . ?
C39 C40 C41 N4 0.0(3) . . . . ?
C39 C40 C41 C42 178.4(2) . . . . ?
N4 C41 C42 C47 -11.4(4) . . . . ?
C40 C41 C42 C47 170.5(3) . . . . ?
N4 C41 C42 C43 168.1(2) . . . . ?
C40 C41 C42 C43 -10.1(4) . . . . ?
C47 C42 C43 C44 -0.3(4) . . . . ?
C41 C42 C43 C44 -179.7(3) . . . . ?
C42 C43 C44 C45 0.5(5) . . . . ?
C43 C44 C45 C46 -0.3(5) . . . . ?
C44 C45 C46 C47 -0.1(5) . . . . ?
C43 C42 C47 C46 -0.1(5) . . . . ?
C41 C42 C47 C46 179.3(3) . . . . ?
C45 C46 C47 C42 0.3(6) . . . . ?
C2 C1 N1 C5 -0.6(4) . . . . ?
C2 C1 N1 Pt1 179.63(19) . . . . ?
C4 C5 N1 C1 2.9(4) . . . . ?
C6 C5 N1 C1 -176.6(2) . . . . ?
C4 C5 N1 Pt1 -177.25(19) . . . . ?
C6 C5 N1 Pt1 3.2(3) . . . . ?
C15 C16 N2 C12 0.7(4) . . . . ?
C15 C16 N2 Pt1 178.2(2) . . . . ?
C13 C12 N2 C16 -1.3(4) . . . . ?
C8 C12 N2 C16 177.8(2) . . . . ?
C13 C12 N2 Pt1 -179.1(2) . . . . ?
C8 C12 N2 Pt1 -0.1(3) . . . . ?
C40 C39 N3 N4 0.4(3) . . . . ?
C38 C39 N3 N4 -179.1(2) . . . . ?
C40 C39 N3 Pt1 178.76(19) . . . . ?
C38 C39 N3 Pt1 -0.8(4) . . . . ?
C40 C41 N4 N3 0.3(3) . . . . ?
C42 C41 N4 N3 -178.2(2) . . . . ?
C40 C41 N4 Pt2 -178.9(2) . . . . ?
C42 C41 N4 Pt2 2.6(4) . . . . ?
C39 N3 N4 C41 -0.4(3) . . . . ?
Pt1 N3 N4 C41 -179.19(16) . . . . ?
C39 N3 N4 Pt2 178.97(16) . . . . ?
Pt1 N3 N4 Pt2 0.2(2) . . . . ?
C18 C17 N5 C21 -1.3(4) . . . . ?
C18 C17 N5 Pt2 178.3(2) . . . . ?
C20 C21 N5 C17 2.5(4) . . . . ?
C22 C21 N5 C17 -177.8(2) . . . . ?
C20 C21 N5 Pt2 -177.2(2) . . . . ?
C22 C21 N5 Pt2 2.5(3) . . . . ?
C31 C32 N6 C28 1.8(4) . . . . ?
C31 C32 N6 Pt2 179.07(19) . . . . ?
C29 C28 N6 C32 -3.2(4) . . . . ?
C24 C28 N6 C32 175.4(2) . . . . ?
C29 C28 N6 Pt2 179.24(19) . . . . ?
C24 C28 N6 Pt2 -2.2(3) . . . . ?

_refine_diff_density_max         0.766
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.095


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

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1557381'
_audit_update_record             
;
2017-06-20 deposited with the CCDC.	2019-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C477 H33 N6 Pt2, F6 P, 2(C H2 Cl2)'
_chemical_formula_sum            'C32.67 H24.67 Cl2.67 F4 N4 P0.67 Pt1.33'
_chemical_formula_weight         924.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.3738(3)
_cell_length_b                   14.2394(2)
_cell_length_c                   15.3804(4)
_cell_angle_alpha                116.222(2)
_cell_angle_beta                 110.687(2)
_cell_angle_gamma                94.6010(10)
_cell_volume                     2358.67(10)
_cell_formula_units_Z            3
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    20595
_cell_measurement_theta_min      3.5500
_cell_measurement_theta_max      74.7470
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_F_000             1332
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2251
_exptl_crystal_size_mid          0.1513
_exptl_crystal_size_min          0.0939
_exptl_absorpt_coefficient_mu    13.914
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.54189
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2940
_diffrn_reflns_number            24961
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.557
_diffrn_reflns_theta_max         66.598
_diffrn_reflns_theta_full        66.598
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             8298
_reflns_number_gt                8019
_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 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0297P)²+5.4887P] 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         8298
_refine_ls_number_parameters     641
_refine_ls_number_restraints     165
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0239
_refine_ls_wR_factor_ref         0.0603
_refine_ls_wR_factor_gt          0.0597
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3321(3) 0.9084(3) 0.8584(3) 0.0319(8) Uani 1 1 d . . . . .
H1 H 0.3992 0.8914 0.8862 0.038 Uiso 1 1 calc R U . . .
C2 C 0.3168(4) 1.0042(3) 0.9229(3) 0.0418(10) Uani 1 1 d . . . . .
H2 H 0.3716 1.0520 0.9946 0.050 Uiso 1 1 calc R U . . .
C3 C 0.2200(5) 1.0303(4) 0.8816(4) 0.0473(11) Uani 1 1 d . . . . .
H3 H 0.2085 1.0973 0.9239 0.057 Uiso 1 1 calc R U . . .
C4 C 0.1406(4) 0.9577(4) 0.7782(4) 0.0416(10) Uani 1 1 d . . . . .
H4 H 0.0738 0.9746 0.7493 0.050 Uiso 1 1 calc R U . . .
C5 C 0.1576(3) 0.8609(3) 0.7168(3) 0.0310(8) Uani 1 1 d . . . . .
C6 C 0.0789(3) 0.7734(3) 0.6074(3) 0.0317(8) Uani 1 1 d . . . . .
C7 C 0.1181(3) 0.6830(3) 0.5701(3) 0.0267(8) Uani 1 1 d . . . . .
C8 C 0.0589(3) 0.5910(3) 0.4678(3) 0.0348(9) Uani 1 1 d . . . . .
C9 C -0.0447(4) 0.5900(4) 0.4025(4) 0.0473(11) Uani 1 1 d . . . . .
H9 H -0.0875 0.5282 0.3329 0.057 Uiso 1 1 calc R U . . .
C10 C -0.0856(4) 0.6791(5) 0.4387(4) 0.0549(13) Uani 1 1 d . . . . .
H10 H -0.1564 0.6774 0.3929 0.066 Uiso 1 1 calc R U . . .
C11 C -0.0256(4) 0.7710(4) 0.5404(4) 0.0435(10) Uani 1 1 d . . . . .
H11 H -0.0551 0.8312 0.5639 0.052 Uiso 1 1 calc R U . . .
C12 C 0.1197(3) 0.5086(3) 0.4462(3) 0.0362(9) Uani 1 1 d . . . . .
C13 C 0.0798(4) 0.4060(4) 0.3555(4) 0.0496(12) Uani 1 1 d . . . . .
H13 H 0.0076 0.3847 0.2993 0.060 Uiso 1 1 calc R U . . .
C14 C 0.1443(5) 0.3343(4) 0.3464(4) 0.0603(15) Uani 1 1 d . . . . .
H14 H 0.1165 0.2634 0.2846 0.072 Uiso 1 1 calc R U . . .
C15 C 0.2498(5) 0.3667(4) 0.4282(4) 0.0534(13) Uani 1 1 d . . . . .
H15 H 0.2957 0.3188 0.4234 0.064 Uiso 1 1 calc R U . . .
C16 C 0.2869(4) 0.4697(3) 0.5167(4) 0.0384(9) Uani 1 1 d . . . . .
H16 H 0.3590 0.4917 0.5732 0.046 Uiso 1 1 calc R U . . .
C17 C 0.3815(4) 0.6340(3) 0.4485(3) 0.0355(9) Uani 1 1 d . . . . .
H17 H 0.4461 0.6325 0.4996 0.043 Uiso 1 1 calc R U . . .
C18 C 0.3304(4) 0.5463(4) 0.3445(4) 0.0463(11) Uani 1 1 d . . . . .
H18 H 0.3599 0.4857 0.3243 0.056 Uiso 1 1 calc R U . . .
C19 C 0.2363(5) 0.5477(4) 0.2705(4) 0.0497(12) Uani 1 1 d . . . . .
H19 H 0.1995 0.4875 0.1991 0.060 Uiso 1 1 calc R U . . .
C20 C 0.1953(4) 0.6378(4) 0.3012(3) 0.0417(10) Uani 1 1 d . . . . .
H20 H 0.1304 0.6396 0.2506 0.050 Uiso 1 1 calc R U . . .
C21 C 0.2493(3) 0.7251(3) 0.4055(3) 0.0314(8) Uani 1 1 d . . . . .
C22 C 0.2180(3) 0.8267(3) 0.4491(3) 0.0296(8) Uani 1 1 d . . . . .
C23 C 0.2919(3) 0.9014(3) 0.5551(3) 0.0258(7) Uani 1 1 d . . . . .
C24 C 0.2757(3) 1.0009(3) 0.6150(3) 0.0266(7) Uani 1 1 d . . . . .
C25 C 0.1831(3) 1.0284(3) 0.5654(3) 0.0349(9) Uani 1 1 d . . . . .
H25 H 0.1701 1.0960 0.6039 0.042 Uiso 1 1 calc R U . . .
C26 C 0.1098(4) 0.9546(4) 0.4580(4) 0.0410(10) Uani 1 1 d . . . . .
H26 H 0.0472 0.9736 0.4236 0.049 Uiso 1 1 calc R U . . .
C27 C 0.1254(4) 0.8536(4) 0.3992(3) 0.0377(9) Uani 1 1 d . . . . .
H27 H 0.0736 0.8044 0.3265 0.045 Uiso 1 1 calc R U . . .
C28 C 0.3626(3) 1.0630(3) 0.7264(3) 0.0272(8) Uani 1 1 d . . . . .
C29 C 0.3732(4) 1.1677(3) 0.8026(3) 0.0343(9) Uani 1 1 d . . . . .
H29 H 0.3186 1.2035 0.7857 0.041 Uiso 1 1 calc R U . . .
C30 C 0.4625(4) 1.2201(3) 0.9029(3) 0.0391(10) Uani 1 1 d . . . . .
H30 H 0.4699 1.2917 0.9555 0.047 Uiso 1 1 calc R U . . .
C31 C 0.5413(4) 1.1666(3) 0.9257(3) 0.0361(9) Uani 1 1 d . . . . .
H31 H 0.6045 1.2021 0.9936 0.043 Uiso 1 1 calc R U . . .
C32 C 0.5273(3) 1.0618(3) 0.8494(3) 0.0310(8) Uani 1 1 d . . . . .
H32 H 0.5812 1.0252 0.8660 0.037 Uiso 1 1 calc R U . . .
C33 C 0.3661(3) 0.5910(3) 0.8149(3) 0.0306(8) Uani 1 1 d . . . . .
H33 H 0.3199 0.6335 0.7979 0.037 Uiso 1 1 calc R U . . .
C34 C 0.3287(3) 0.5158(3) 0.8390(3) 0.0355(9) Uani 1 1 d . . . . .
H34 H 0.2570 0.5067 0.8379 0.043 Uiso 1 1 calc R U . . .
C35 C 0.3954(4) 0.4545(3) 0.8647(3) 0.0400(10) Uani 1 1 d . . . . .
H35 H 0.3700 0.4033 0.8815 0.048 Uiso 1 1 calc R U . . .
C36 C 0.4995(4) 0.4676(4) 0.8658(4) 0.0417(10) Uani 1 1 d . . . . .
H36 H 0.5455 0.4253 0.8836 0.050 Uiso 1 1 calc R U . . .
C37 C 0.5373(4) 0.5415(3) 0.8415(3) 0.0316(8) Uani 1 1 d . . . . .
H37 H 0.6090 0.5497 0.8425 0.038 Uiso 1 1 calc R U . . .
C38 C 0.4706(3) 0.6047(3) 0.8152(3) 0.0251(7) Uani 1 1 d . . . . .
C39 C 0.5134(3) 0.6839(3) 0.7906(3) 0.0231(7) Uani 1 1 d . . . . .
C40 C 0.6226(3) 0.7325(3) 0.8185(3) 0.0263(7) Uani 1 1 d . . . . .
H40 H 0.6883 0.7224 0.8598 0.032 Uiso 1 1 calc R U . . .
C41 C 0.6160(3) 0.7994(3) 0.7731(3) 0.0248(7) Uani 1 1 d . . . . .
C42 C 0.7069(3) 0.8714(3) 0.7793(3) 0.0306(8) Uani 1 1 d . U . . .
C43 C 0.8158(4) 0.8979(4) 0.8537(4) 0.0504(12) Uani 1 1 d . U . . .
H43 H 0.8316 0.8690 0.9006 0.060 Uiso 1 1 calc R U . . .
C44 C 0.9014(4) 0.9656(5) 0.8604(5) 0.0651(15) Uani 1 1 d . U . . .
H44 H 0.9757 0.9821 0.9109 0.078 Uiso 1 1 calc R U . . .
C45 C 0.8796(5) 1.0098(4) 0.7937(5) 0.0628(14) Uani 1 1 d . U . . .
H45 H 0.9381 1.0585 0.8000 0.075 Uiso 1 1 calc R U . . .
C46 C 0.7742(5) 0.9831(6) 0.7196(7) 0.0778(19) Uani 1 1 d . U . . .
H46 H 0.7589 1.0123 0.6730 0.093 Uiso 1 1 calc R U . . .
C47 C 0.6877(4) 0.9129(5) 0.7110(6) 0.0633(15) Uani 1 1 d . U . . .
H47 H 0.6144 0.8934 0.6573 0.076 Uiso 1 1 calc R U . . .
C48 C 0.4680(9) 0.1389(7) 0.5684(9) 0.125(3) Uani 1 1 d . U . . .
H48A H 0.4131 0.0688 0.5381 0.150 Uiso 1 1 calc R U . . .
H48B H 0.4909 0.1329 0.5121 0.150 Uiso 1 1 calc R U . . .
N1 N 0.2558(3) 0.8377(2) 0.7577(2) 0.0254(6) Uani 1 1 d . . . . .
N2 N 0.2254(3) 0.5403(3) 0.5263(3) 0.0304(7) Uani 1 1 d . . . . .
N3 N 0.4440(2) 0.7192(2) 0.7313(2) 0.0237(6) Uani 1 1 d . . . . .
N4 N 0.5082(2) 0.7907(2) 0.7208(2) 0.0250(6) Uani 1 1 d . . . . .
N5 N 0.3421(3) 0.7220(3) 0.4793(2) 0.0282(7) Uani 1 1 d . . . . .
N6 N 0.4391(3) 1.0094(2) 0.7516(2) 0.0245(6) Uani 1 1 d . . . . .
F1 F 0.9083(3) 0.8152(2) 1.1883(3) 0.0669(9) Uani 1 1 d . . . . .
F2 F 0.7441(2) 0.7011(3) 1.0586(3) 0.0688(9) Uani 1 1 d . . . . .
F3 F 0.8659(3) 0.6494(3) 1.1650(3) 0.0799(11) Uani 1 1 d . . . . .
F4 F 0.8743(3) 0.7425(4) 1.0144(3) 0.0891(13) Uani 1 1 d . . . . .
F5 F 0.8287(4) 0.5758(3) 0.9904(3) 0.1138(18) Uani 1 1 d . . . . .
F6 F 0.9962(3) 0.6964(4) 1.1223(3) 0.0803(11) Uani 1 1 d . . . . .
P1 P 0.86905(9) 0.69339(10) 1.08871(9) 0.0395(2) Uani 1 1 d . . . . .
Pt1 Pt 0.26874(2) 0.69346(2) 0.65356(2) 0.02189(5) Uani 1 1 d . . . . .
Pt2 Pt 0.40707(2) 0.85540(2) 0.63001(2) 0.02194(5) Uani 1 1 d . . . . .
Cl1 Cl 0.4011(2) 0.23852(18) 0.59268(19) 0.1129(7) Uani 1 1 d . U . . .
Cl2 Cl 0.5767(3) 0.1523(3) 0.6686(4) 0.1683(15) Uani 1 1 d . U . . .
Cl3 Cl 0.9020(4) 0.3991(3) 1.0770(3) 0.1113(10) Uani 0.655(4) 1 d D U P A 1
C49 C 0.8913(11) 0.2636(8) 1.0119(10) 0.0869(15) Uani 0.655(4) 1 d D U P A 1
H49A H 0.9632 0.2542 1.0099 0.104 Uiso 0.655(4) 1 calc R U P A 1
H49B H 0.8337 0.2293 0.9367 0.104 Uiso 0.655(4) 1 calc R U P A 1
Cl4 Cl 0.8564(2) 0.1979(2) 1.0744(2) 0.0724(7) Uani 0.655(4) 1 d D U P A 1
Cl3A Cl 0.7556(6) 0.2917(6) 0.8996(6) 0.1071(17) Uani 0.345(4) 1 d D U P A 2
C49A C 0.838(2) 0.3510(18) 1.0172(15) 0.100(2) Uani 0.345(4) 1 d D U P A 2
H49C H 0.8165 0.4157 1.0568 0.120 Uiso 0.345(4) 1 calc R U P A 2
H49D H 0.9127 0.3774 1.0232 0.120 Uiso 0.345(4) 1 calc R U P A 2
Cl4A Cl 0.8505(6) 0.2654(7) 1.0845(5) 0.1023(15) Uani 0.345(4) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.339(5) . ?
C1 C2 1.371(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.386(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(6) . ?
C4 H4 0.9500 . ?
C5 N1 1.379(5) . ?
C5 C6 1.475(6) . ?
C6 C7 1.389(6) . ?
C6 C11 1.400(6) . ?
C7 C8 1.396(5) . ?
C7 Pt1 1.920(3) . ?
C8 C9 1.389(6) . ?
C8 C12 1.465(6) . ?
C9 C10 1.386(8) . ?
C9 H9 0.9500 . ?
C10 C11 1.393(7) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 N2 1.376(5) . ?
C12 C13 1.384(6) . ?
C13 C14 1.381(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.375(6) . ?
C15 H15 0.9500 . ?
C16 N2 1.340(5) . ?
C16 H16 0.9500 . ?
C17 N5 1.353(5) . ?
C17 C18 1.382(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.374(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.389(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(6) . ?
C20 H20 0.9500 . ?
C21 N5 1.374(5) . ?
C21 C22 1.469(6) . ?
C22 C23 1.388(5) . ?
C22 C27 1.391(6) . ?
C23 C24 1.392(5) . ?
C23 Pt2 1.924(4) . ?
C24 C25 1.395(5) . ?
C24 C28 1.469(5) . ?
C25 C26 1.397(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.401(6) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 N6 1.373(5) . ?
C28 C29 1.386(5) . ?
C29 C30 1.379(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.383(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.376(6) . ?
C31 H31 0.9500 . ?
C32 N6 1.351(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.391(5) . ?
C33 C38 1.393(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.376(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.379(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.401(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.472(5) . ?
C39 N3 1.352(5) . ?
C39 C40 1.390(5) . ?
C40 C41 1.400(5) . ?
C40 H40 0.9500 . ?
C41 N4 1.343(5) . ?
C41 C42 1.474(5) . ?
C42 C47 1.378(7) . ?
C42 C43 1.388(6) . ?
C43 C44 1.381(7) . ?
C43 H43 0.9500 . ?
C44 C45 1.386(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.351(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.393(7) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 Cl2 1.624(12) . ?
C48 Cl1 1.709(10) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
N1 Pt1 2.039(3) . ?
N2 Pt1 2.037(3) . ?
N3 N4 1.379(4) . ?
N3 Pt1 2.134(3) . ?
N4 Pt2 2.152(3) . ?
N5 Pt2 2.039(3) . ?
N6 Pt2 2.037(3) . ?
F1 P1 1.603(3) . ?
F2 P1 1.595(3) . ?
F3 P1 1.565(3) . ?
F4 P1 1.598(3) . ?
F5 P1 1.557(4) . ?
F6 P1 1.584(3) . ?
Pt1 Pt2 3.0656(2) . ?
Cl3 C49 1.701(10) . ?
C49 Cl4 1.750(9) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
Cl3A C49A 1.515(17) . ?
C49A Cl4A 1.900(16) . ?
C49A H49C 0.9900 . ?
C49A H49D 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.5(4) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C1 C2 C3 118.8(4) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 119.1(4) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 120.4(4) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 N1 119.8(4) . . ?
C4 C5 C6 126.7(4) . . ?
N1 C5 C6 113.4(3) . . ?
C7 C6 C11 118.4(4) . . ?
C7 C6 C5 112.6(3) . . ?
C11 C6 C5 128.9(4) . . ?
C6 C7 C8 122.9(4) . . ?
C6 C7 Pt1 118.4(3) . . ?
C8 C7 Pt1 118.1(3) . . ?
C9 C8 C7 117.9(4) . . ?
C9 C8 C12 129.8(4) . . ?
C7 C8 C12 112.4(4) . . ?
C10 C9 C8 120.1(4) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 121.7(4) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C10 C11 C6 119.0(4) . . ?
C10 C11 H11 120.5 . . ?
C6 C11 H11 120.5 . . ?
N2 C12 C13 119.7(4) . . ?
N2 C12 C8 114.4(3) . . ?
C13 C12 C8 125.9(4) . . ?
C14 C13 C12 120.3(5) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 119.3(4) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C16 C15 C14 118.7(5) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
N2 C16 C15 122.6(5) . . ?
N2 C16 H16 118.7 . . ?
C15 C16 H16 118.7 . . ?
N5 C17 C18 121.7(4) . . ?
N5 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C19 C18 C17 119.4(4) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C18 C19 C20 119.5(4) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C21 C20 C19 119.9(4) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
N5 C21 C20 120.2(4) . . ?
N5 C21 C22 113.6(3) . . ?
C20 C21 C22 126.3(4) . . ?
C23 C22 C27 118.7(4) . . ?
C23 C22 C21 112.8(3) . . ?
C27 C22 C21 128.5(4) . . ?
C22 C23 C24 122.9(3) . . ?
C22 C23 Pt2 118.3(3) . . ?
C24 C23 Pt2 117.9(3) . . ?
C23 C24 C25 118.7(4) . . ?
C23 C24 C28 112.5(3) . . ?
C25 C24 C28 128.8(4) . . ?
C24 C25 C26 118.6(4) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 H25 120.7 . . ?
C25 C26 C27 122.2(4) . . ?
C25 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C22 C27 C26 118.8(4) . . ?
C22 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
N6 C28 C29 120.1(4) . . ?
N6 C28 C24 114.1(3) . . ?
C29 C28 C24 125.8(4) . . ?
C30 C29 C28 120.3(4) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C31 118.9(4) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
C32 C31 C30 119.6(4) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
N6 C32 C31 121.8(4) . . ?
N6 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
C34 C33 C38 120.8(4) . . ?
C34 C33 H33 119.6 . . ?
C38 C33 H33 119.6 . . ?
C35 C34 C33 120.1(4) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 119.8(4) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C37 C36 C35 120.7(4) . . ?
C37 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C36 C37 C38 120.4(4) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C33 C38 C37 118.3(3) . . ?
C33 C38 C39 122.4(3) . . ?
C37 C38 C39 119.3(3) . . ?
N3 C39 C40 109.0(3) . . ?
N3 C39 C38 121.5(3) . . ?
C40 C39 C38 129.5(3) . . ?
C39 C40 C41 105.8(3) . . ?
C39 C40 H40 127.1 . . ?
C41 C40 H40 127.1 . . ?
N4 C41 C40 108.6(3) . . ?
N4 C41 C42 122.4(3) . . ?
C40 C41 C42 128.9(3) . . ?
C47 C42 C43 117.9(4) . . ?
C47 C42 C41 121.7(4) . . ?
C43 C42 C41 120.3(4) . . ?
C44 C43 C42 120.7(5) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C43 C44 C45 120.3(5) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 H44 119.8 . . ?
C46 C45 C44 119.4(5) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C45 C46 C47 120.5(6) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 H46 119.7 . . ?
C42 C47 C46 121.0(5) . . ?
C42 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
Cl2 C48 Cl1 118.1(6) . . ?
Cl2 C48 H48A 107.8 . . ?
Cl1 C48 H48A 107.8 . . ?
Cl2 C48 H48B 107.8 . . ?
Cl1 C48 H48B 107.8 . . ?
H48A C48 H48B 107.1 . . ?
C1 N1 C5 119.3(3) . . ?
C1 N1 Pt1 126.3(3) . . ?
C5 N1 Pt1 114.4(2) . . ?
C16 N2 C12 119.4(4) . . ?
C16 N2 Pt1 126.6(3) . . ?
C12 N2 Pt1 113.9(3) . . ?
C39 N3 N4 107.9(3) . . ?
C39 N3 Pt1 137.2(2) . . ?
N4 N3 Pt1 114.8(2) . . ?
C41 N4 N3 108.7(3) . . ?
C41 N4 Pt2 139.8(2) . . ?
N3 N4 Pt2 111.5(2) . . ?
C17 N5 C21 119.5(3) . . ?
C17 N5 Pt2 125.9(3) . . ?
C21 N5 Pt2 114.6(2) . . ?
C32 N6 C28 119.2(3) . . ?
C32 N6 Pt2 126.6(3) . . ?
C28 N6 Pt2 114.2(2) . . ?
F5 P1 F3 92.0(2) . . ?
F5 P1 F6 92.8(3) . . ?
F3 P1 F6 89.7(2) . . ?
F5 P1 F2 91.2(2) . . ?
F3 P1 F2 92.8(2) . . ?
F6 P1 F2 175.2(2) . . ?
F5 P1 F4 90.0(3) . . ?
F3 P1 F4 178.0(3) . . ?
F6 P1 F4 90.02(19) . . ?
F2 P1 F4 87.34(19) . . ?
F5 P1 F1 178.6(2) . . ?
F3 P1 F1 88.8(2) . . ?
F6 P1 F1 88.2(2) . . ?
F2 P1 F1 87.69(18) . . ?
F4 P1 F1 89.2(2) . . ?
C7 Pt1 N2 80.82(15) . . ?
C7 Pt1 N1 80.47(14) . . ?
N2 Pt1 N1 160.76(13) . . ?
C7 Pt1 N3 169.23(13) . . ?
N2 Pt1 N3 99.75(12) . . ?
N1 Pt1 N3 99.47(12) . . ?
C7 Pt1 Pt2 103.20(11) . . ?
N2 Pt1 Pt2 109.76(9) . . ?
N1 Pt1 Pt2 78.98(8) . . ?
N3 Pt1 Pt2 66.39(8) . . ?
C23 Pt2 N6 80.62(14) . . ?
C23 Pt2 N5 80.26(14) . . ?
N6 Pt2 N5 160.46(13) . . ?
C23 Pt2 N4 167.51(13) . . ?
N6 Pt2 N4 99.65(12) . . ?
N5 Pt2 N4 99.89(12) . . ?
C23 Pt2 Pt1 100.76(10) . . ?
N6 Pt2 Pt1 109.14(8) . . ?
N5 Pt2 Pt1 78.50(8) . . ?
N4 Pt2 Pt1 67.24(8) . . ?
Cl3 C49 Cl4 112.0(6) . . ?
Cl3 C49 H49A 109.2 . . ?
Cl4 C49 H49A 109.2 . . ?
Cl3 C49 H49B 109.2 . . ?
Cl4 C49 H49B 109.2 . . ?
H49A C49 H49B 107.9 . . ?
Cl3A C49A Cl4A 114.6(12) . . ?
Cl3A C49A H49C 108.6 . . ?
Cl4A C49A H49C 108.6 . . ?
Cl3A C49A H49D 108.6 . . ?
Cl4A C49A H49D 108.6 . . ?
H49C C49A H49D 107.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -1.5(6) . . . . ?
C1 C2 C3 C4 2.0(7) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 N1 -1.8(6) . . . . ?
C3 C4 C5 C6 177.1(4) . . . . ?
C4 C5 C6 C7 -176.1(4) . . . . ?
N1 C5 C6 C7 2.9(5) . . . . ?
C4 C5 C6 C11 3.9(7) . . . . ?
N1 C5 C6 C11 -177.2(4) . . . . ?
C11 C6 C7 C8 1.4(6) . . . . ?
C5 C6 C7 C8 -178.7(3) . . . . ?
C11 C6 C7 Pt1 171.9(3) . . . . ?
C5 C6 C7 Pt1 -8.1(4) . . . . ?
C6 C7 C8 C9 -1.5(6) . . . . ?
Pt1 C7 C8 C9 -172.1(3) . . . . ?
C6 C7 C8 C12 177.9(3) . . . . ?
Pt1 C7 C8 C12 7.3(5) . . . . ?
C7 C8 C9 C10 0.9(7) . . . . ?
C12 C8 C9 C10 -178.4(5) . . . . ?
C8 C9 C10 C11 -0.4(8) . . . . ?
C9 C10 C11 C6 0.2(8) . . . . ?
C7 C6 C11 C10 -0.7(6) . . . . ?
C5 C6 C11 C10 179.3(4) . . . . ?
C9 C8 C12 N2 174.8(4) . . . . ?
C7 C8 C12 N2 -4.5(5) . . . . ?
C9 C8 C12 C13 -5.6(7) . . . . ?
C7 C8 C12 C13 175.1(4) . . . . ?
N2 C12 C13 C14 1.7(7) . . . . ?
C8 C12 C13 C14 -177.9(4) . . . . ?
C12 C13 C14 C15 -0.8(8) . . . . ?
C13 C14 C15 C16 0.3(8) . . . . ?
C14 C15 C16 N2 -0.7(7) . . . . ?
N5 C17 C18 C19 -0.7(7) . . . . ?
C17 C18 C19 C20 1.0(7) . . . . ?
C18 C19 C20 C21 -0.1(7) . . . . ?
C19 C20 C21 N5 -1.1(6) . . . . ?
C19 C20 C21 C22 178.4(4) . . . . ?
N5 C21 C22 C23 2.8(5) . . . . ?
C20 C21 C22 C23 -176.7(4) . . . . ?
N5 C21 C22 C27 -175.3(4) . . . . ?
C20 C21 C22 C27 5.2(7) . . . . ?
C27 C22 C23 C24 2.1(6) . . . . ?
C21 C22 C23 C24 -176.2(3) . . . . ?
C27 C22 C23 Pt2 171.0(3) . . . . ?
C21 C22 C23 Pt2 -7.3(4) . . . . ?
C22 C23 C24 C25 -2.2(5) . . . . ?
Pt2 C23 C24 C25 -171.1(3) . . . . ?
C22 C23 C24 C28 177.3(3) . . . . ?
Pt2 C23 C24 C28 8.4(4) . . . . ?
C23 C24 C25 C26 0.6(6) . . . . ?
C28 C24 C25 C26 -178.8(4) . . . . ?
C24 C25 C26 C27 1.0(7) . . . . ?
C23 C22 C27 C26 -0.5(6) . . . . ?
C21 C22 C27 C26 177.5(4) . . . . ?
C25 C26 C27 C22 -1.0(7) . . . . ?
C23 C24 C28 N6 -3.2(4) . . . . ?
C25 C24 C28 N6 176.2(4) . . . . ?
C23 C24 C28 C29 175.2(4) . . . . ?
C25 C24 C28 C29 -5.4(6) . . . . ?
N6 C28 C29 C30 2.2(6) . . . . ?
C24 C28 C29 C30 -176.1(4) . . . . ?
C28 C29 C30 C31 0.3(6) . . . . ?
C29 C30 C31 C32 -1.8(6) . . . . ?
C30 C31 C32 N6 0.9(6) . . . . ?
C38 C33 C34 C35 0.6(6) . . . . ?
C33 C34 C35 C36 -0.3(6) . . . . ?
C34 C35 C36 C37 -0.1(7) . . . . ?
C35 C36 C37 C38 0.1(6) . . . . ?
C34 C33 C38 C37 -0.6(6) . . . . ?
C34 C33 C38 C39 -179.6(4) . . . . ?
C36 C37 C38 C33 0.3(6) . . . . ?
C36 C37 C38 C39 179.3(4) . . . . ?
C33 C38 C39 N3 -23.7(5) . . . . ?
C37 C38 C39 N3 157.3(3) . . . . ?
C33 C38 C39 C40 157.6(4) . . . . ?
C37 C38 C39 C40 -21.4(6) . . . . ?
N3 C39 C40 C41 0.1(4) . . . . ?
C38 C39 C40 C41 178.9(3) . . . . ?
C39 C40 C41 N4 -0.2(4) . . . . ?
C39 C40 C41 C42 178.7(4) . . . . ?
N4 C41 C42 C47 -16.4(6) . . . . ?
C40 C41 C42 C47 164.9(5) . . . . ?
N4 C41 C42 C43 164.8(4) . . . . ?
C40 C41 C42 C43 -13.9(6) . . . . ?
C47 C42 C43 C44 1.4(8) . . . . ?
C41 C42 C43 C44 -179.7(5) . . . . ?
C42 C43 C44 C45 1.0(9) . . . . ?
C43 C44 C45 C46 -2.2(9) . . . . ?
C44 C45 C46 C47 0.9(10) . . . . ?
C43 C42 C47 C46 -2.8(9) . . . . ?
C41 C42 C47 C46 178.4(5) . . . . ?
C45 C46 C47 C42 1.7(11) . . . . ?
C2 C1 N1 C5 -0.6(6) . . . . ?
C2 C1 N1 Pt1 179.6(3) . . . . ?
C4 C5 N1 C1 2.3(5) . . . . ?
C6 C5 N1 C1 -176.7(3) . . . . ?
C4 C5 N1 Pt1 -177.9(3) . . . . ?
C6 C5 N1 Pt1 3.0(4) . . . . ?
C15 C16 N2 C12 1.6(6) . . . . ?
C15 C16 N2 Pt1 178.7(3) . . . . ?
C13 C12 N2 C16 -2.1(6) . . . . ?
C8 C12 N2 C16 177.5(4) . . . . ?
C13 C12 N2 Pt1 -179.6(3) . . . . ?
C8 C12 N2 Pt1 0.1(4) . . . . ?
C40 C39 N3 N4 -0.1(4) . . . . ?
C38 C39 N3 N4 -179.0(3) . . . . ?
C40 C39 N3 Pt1 179.9(3) . . . . ?
C38 C39 N3 Pt1 1.0(5) . . . . ?
C40 C41 N4 N3 0.1(4) . . . . ?
C42 C41 N4 N3 -178.8(3) . . . . ?
C40 C41 N4 Pt2 178.5(3) . . . . ?
C42 C41 N4 Pt2 -0.5(6) . . . . ?
C39 N3 N4 C41 0.0(4) . . . . ?
Pt1 N3 N4 C41 180.0(2) . . . . ?
C39 N3 N4 Pt2 -178.9(2) . . . . ?
Pt1 N3 N4 Pt2 1.1(3) . . . . ?
C18 C17 N5 C21 -0.5(6) . . . . ?
C18 C17 N5 Pt2 178.8(3) . . . . ?
C20 C21 N5 C17 1.4(6) . . . . ?
C22 C21 N5 C17 -178.1(3) . . . . ?
C20 C21 N5 Pt2 -178.0(3) . . . . ?
C22 C21 N5 Pt2 2.5(4) . . . . ?
C31 C32 N6 C28 1.6(5) . . . . ?
C31 C32 N6 Pt2 179.6(3) . . . . ?
C29 C28 N6 C32 -3.2(5) . . . . ?
C24 C28 N6 C32 175.3(3) . . . . ?
C29 C28 N6 Pt2 178.7(3) . . . . ?
C24 C28 N6 Pt2 -2.8(4) . . . . ?

_refine_diff_density_max         1.635
_refine_diff_density_min         -1.269
_refine_diff_density_rms         0.124


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

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1557380'
_audit_update_record             
;
2017-06-20 deposited with the CCDC.	2019-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H33 N6 Pt2, F6 P, 2(C H2 Cl2)'
_chemical_formula_sum            'C49 H37 Cl4 F6 N6 P Pt2'
_chemical_formula_weight         1386.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.3658(3)
_cell_length_b                   14.2507(3)
_cell_length_c                   15.2735(4)
_cell_angle_alpha                116.225(2)
_cell_angle_beta                 110.754(2)
_cell_angle_gamma                94.835(2)
_cell_volume                     2337.60(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    21106
_cell_measurement_theta_min      3.5550
_cell_measurement_theta_max      74.8470

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_F_000             1332
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2251
_exptl_crystal_size_mid          0.1513
_exptl_crystal_size_min          0.0939
_exptl_absorpt_coefficient_mu    14.040
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.52877
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2940
_diffrn_reflns_number            24450
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_av_R_equivalents  0.0160
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.576
_diffrn_reflns_theta_max         66.599
_diffrn_reflns_theta_full        66.599
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             8231
_reflns_number_gt                8053
_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 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0216P)²+4.4685P] 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         8231
_refine_ls_number_parameters     641
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0199
_refine_ls_wR_factor_ref         0.0485
_refine_ls_wR_factor_gt          0.0481
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.098
_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
C1 C 0.8363(3) 0.4111(2) 0.3613(2) 0.0214(6) Uani 1 1 d . . . . .
H1 H 0.9031 0.3937 0.3894 0.026 Uiso 1 1 calc R U . . .
C2 C 0.8221(3) 0.5084(3) 0.4265(3) 0.0275(7) Uani 1 1 d . . . . .
H2 H 0.8776 0.5565 0.4987 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7260(3) 0.5348(3) 0.3851(3) 0.0312(8) Uani 1 1 d . . . . .
H3 H 0.7156 0.6022 0.4279 0.037 Uiso 1 1 calc R U . . .
C4 C 0.6449(3) 0.4619(3) 0.2804(3) 0.0277(7) Uani 1 1 d . . . . .
H4 H 0.5785 0.4793 0.2513 0.033 Uiso 1 1 calc R U . . .
C5 C 0.6607(3) 0.3635(3) 0.2183(3) 0.0211(6) Uani 1 1 d . . . . .
C6 C 0.5807(3) 0.2761(3) 0.1087(3) 0.0220(6) Uani 1 1 d . . . . .
C7 C 0.4763(3) 0.2739(3) 0.0415(3) 0.0310(8) Uani 1 1 d . . . . .
H7 H 0.4479 0.3347 0.0651 0.037 Uiso 1 1 calc R U . . .
C8 C 0.4143(3) 0.1812(3) -0.0610(3) 0.0377(9) Uani 1 1 d . . . . .
H8 H 0.3432 0.1796 -0.1065 0.045 Uiso 1 1 calc R U . . .
C9 C 0.4541(3) 0.0912(3) -0.0981(3) 0.0344(8) Uani 1 1 d . . . . .
H9 H 0.4106 0.0292 -0.1683 0.041 Uiso 1 1 calc R U . . .
C10 C 0.5582(3) 0.0923(3) -0.0317(3) 0.0244(7) Uani 1 1 d . . . . .
C11 C 0.6192(2) 0.1848(3) 0.0709(2) 0.0194(6) Uani 1 1 d . . . . .
C12 C 0.6179(3) 0.0094(3) -0.0541(3) 0.0256(7) Uani 1 1 d . . . . .
C13 C 0.5760(3) -0.0942(3) -0.1455(3) 0.0346(8) Uani 1 1 d . . . . .
H13 H 0.5034 -0.1155 -0.2018 0.041 Uiso 1 1 calc R U . . .
C14 C 0.6398(4) -0.1661(3) -0.1545(3) 0.0415(10) Uani 1 1 d . . . . .
H14 H 0.6113 -0.2373 -0.2166 0.050 Uiso 1 1 calc R U . . .
C15 C 0.7461(4) -0.1334(3) -0.0721(3) 0.0370(9) Uani 1 1 d . . . . .
H15 H 0.7913 -0.1818 -0.0770 0.044 Uiso 1 1 calc R U . . .
C16 C 0.7854(3) -0.0298(3) 0.0169(3) 0.0277(7) Uani 1 1 d . . . . .
H16 H 0.8580 -0.0078 0.0735 0.033 Uiso 1 1 calc R U . . .
C17 C 1.0309(3) 0.5643(3) 0.3504(2) 0.0216(6) Uani 1 1 d . . . . .
H17 H 1.0846 0.5278 0.3672 0.026 Uiso 1 1 calc R U . . .
C18 C 1.0466(3) 0.6704(3) 0.4273(3) 0.0253(7) Uani 1 1 d . . . . .
H18 H 1.1108 0.7063 0.4953 0.030 Uiso 1 1 calc R U . . .
C19 C 0.9680(3) 0.7238(3) 0.4045(3) 0.0275(7) Uani 1 1 d . . . . .
H19 H 0.9763 0.7958 0.4573 0.033 Uiso 1 1 calc R U . . .
C20 C 0.8769(3) 0.6702(3) 0.3033(3) 0.0246(7) Uani 1 1 d . . . . .
H20 H 0.8222 0.7057 0.2861 0.029 Uiso 1 1 calc R U . . .
C21 C 0.8655(3) 0.5649(2) 0.2272(2) 0.0192(6) Uani 1 1 d . . . . .
C22 C 0.7773(3) 0.5013(2) 0.1151(2) 0.0190(6) Uani 1 1 d . . . . .
C23 C 0.6836(3) 0.5278(3) 0.0648(3) 0.0254(7) Uani 1 1 d . . . . .
H23 H 0.6711 0.5956 0.1032 0.030 Uiso 1 1 calc R U . . .
C24 C 0.6089(3) 0.4529(3) -0.0428(3) 0.0292(7) Uani 1 1 d . . . . .
H24 H 0.5456 0.4711 -0.0774 0.035 Uiso 1 1 calc R U . . .
C25 C 0.6242(3) 0.3518(3) -0.1015(3) 0.0269(7) Uani 1 1 d . . . . .
H25 H 0.5715 0.3019 -0.1745 0.032 Uiso 1 1 calc R U . . .
C26 C 0.7173(3) 0.3255(3) -0.0517(2) 0.0212(6) Uani 1 1 d . . . . .
C27 C 0.7931(3) 0.4014(2) 0.0546(2) 0.0184(6) Uani 1 1 d . . . . .
C28 C 0.7479(3) 0.2238(3) -0.0954(2) 0.0226(6) Uani 1 1 d . . . . .
C29 C 0.6926(3) 0.1350(3) -0.2002(3) 0.0304(8) Uani 1 1 d . . . . .
H29 H 0.6269 0.1360 -0.2511 0.036 Uiso 1 1 calc R U . . .
C30 C 0.7328(3) 0.0449(3) -0.2311(3) 0.0355(8) Uani 1 1 d . . . . .
H30 H 0.6950 -0.0162 -0.3027 0.043 Uiso 1 1 calc R U . . .
C31 C 0.8284(3) 0.0451(3) -0.1563(3) 0.0332(8) Uani 1 1 d . . . . .
H31 H 0.8579 -0.0154 -0.1764 0.040 Uiso 1 1 calc R U . . .
C32 C 0.8810(3) 0.1339(3) -0.0522(3) 0.0259(7) Uani 1 1 d . . . . .
H32 H 0.9466 0.1332 -0.0009 0.031 Uiso 1 1 calc R U . . .
C33 C 0.8959(3) -0.0465(3) 0.3638(3) 0.0292(7) Uani 1 1 d . . . . .
H33 H 0.8706 -0.0974 0.3811 0.035 Uiso 1 1 calc R U . . .
C34 C 0.9998(3) -0.0338(3) 0.3642(3) 0.0292(7) Uani 1 1 d . . . . .
H34 H 1.0454 -0.0767 0.3810 0.035 Uiso 1 1 calc R U . . .
C35 C 0.8290(3) 0.0149(3) 0.3383(3) 0.0255(7) Uani 1 1 d . . . . .
H35 H 0.7572 0.0055 0.3370 0.031 Uiso 1 1 calc R U . . .
C36 C 1.0375(3) 0.0410(3) 0.3403(3) 0.0228(6) Uani 1 1 d . . . . .
H36 H 1.1092 0.0493 0.3413 0.027 Uiso 1 1 calc R U . . .
C37 C 0.8668(3) 0.0905(3) 0.3143(2) 0.0213(6) Uani 1 1 d . . . . .
H37 H 0.8208 0.1331 0.2975 0.026 Uiso 1 1 calc R U . . .
C38 C 0.9717(3) 0.1045(2) 0.3148(2) 0.0177(6) Uani 1 1 d . . . . .
C39 C 1.0150(2) 0.1843(2) 0.2907(2) 0.0165(6) Uani 1 1 d . . . . .
C40 C 1.1247(3) 0.2322(2) 0.3181(2) 0.0195(6) Uani 1 1 d . . . . .
H40 H 1.1903 0.2211 0.3587 0.023 Uiso 1 1 calc R U . . .
C41 C 1.1185(3) 0.2999(2) 0.2737(2) 0.0179(6) Uani 1 1 d . . . . .
C42 C 1.2098(3) 0.3723(2) 0.2801(3) 0.0215(6) Uani 1 1 d . . . . .
C43 C 1.3199(3) 0.3958(3) 0.3528(3) 0.0350(8) Uani 1 1 d . . . . .
H43 H 1.3359 0.3647 0.3981 0.042 Uiso 1 1 calc R U . . .
C44 C 1.1908(3) 0.4180(4) 0.2154(4) 0.0481(11) Uani 1 1 d . . . . .
H44 H 1.1167 0.4019 0.1639 0.058 Uiso 1 1 calc R U . . .
C45 C 1.4065(3) 0.4641(4) 0.3601(3) 0.0448(10) Uani 1 1 d . . . . .
H45 H 1.4811 0.4786 0.4096 0.054 Uiso 1 1 calc R U . . .
C46 C 1.2780(4) 0.4876(4) 0.2234(5) 0.0601(15) Uani 1 1 d . . . . .
H46 H 1.2626 0.5187 0.1782 0.072 Uiso 1 1 calc R U . . .
C47 C 1.3849(4) 0.5109(3) 0.2959(4) 0.0447(11) Uani 1 1 d . . . . .
H47 H 1.4442 0.5591 0.3022 0.054 Uiso 1 1 calc R U . . .
Cl3 Cl 0.35601(17) -0.30624(13) 0.57289(15) 0.0495(4) Uani 0.819(4) 1 d D U P A
1
C49 C 0.3921(7) -0.2398(5) 0.5116(6) 0.070(2) Uani 0.819(4) 1 d D U P A 1
H49A H 0.4654 -0.2472 0.5123 0.084 Uiso 0.819(4) 1 calc R U P A 1
H49B H 0.3360 -0.2755 0.4349 0.084 Uiso 0.819(4) 1 calc R U P A 1
Cl4 Cl 0.3998(2) -0.10215(16) 0.5763(2) 0.0952(9) Uani 0.819(4) 1 d D U P A 1
Cl3A Cl 0.3524(9) -0.2473(16) 0.5843(9) 0.115(5) Uani 0.181(4) 1 d D U P A 2
C49A C 0.382(2) -0.177(4) 0.525(3) 0.144(10) Uani 0.181(4) 1 d D U P A 2
H49C H 0.4137 -0.0980 0.5797 0.173 Uiso 0.181(4) 1 calc R U P A 2
H49D H 0.4393 -0.2015 0.5005 0.173 Uiso 0.181(4) 1 calc R U P A 2
Cl4A Cl 0.2688(12) -0.1939(13) 0.4172(15) 0.147(6) Uani 0.181(4) 1 d D U P A 2
Cl1 Cl 1.08323(18) 0.65733(19) 0.1751(2) 0.1099(7) Uani 1 1 d . . . . .
C48 C 0.9681(5) 0.6363(5) 0.0671(5) 0.0754(18) Uani 1 1 d . . . . .
H48A H 0.9139 0.5667 0.0396 0.090 Uiso 1 1 calc R U . . .
H48B H 0.9896 0.6276 0.0089 0.090 Uiso 1 1 calc R U . . .
Cl2 Cl 0.90212(15) 0.73709(12) 0.09129(12) 0.0767(4) Uani 1 1 d . . . . .
F1 F 0.59191(19) -0.31667(17) 0.31032(18) 0.0418(5) Uani 1 1 d . . . . .
F2 F 0.75877(17) -0.1991(2) 0.44019(18) 0.0433(5) Uani 1 1 d . . . . .
F3 F 0.6353(2) -0.14940(19) 0.33331(19) 0.0487(6) Uani 1 1 d . . . . .
F4 F 0.6741(3) -0.0743(2) 0.5106(2) 0.0678(9) Uani 1 1 d . . . . .
F5 F 0.6284(2) -0.2426(3) 0.4870(2) 0.0548(7) Uani 1 1 d . . . . .
F6 F 0.5049(2) -0.1956(2) 0.3794(2) 0.0509(6) Uani 1 1 d . . . . .
N1 N 0.7589(2) 0.3402(2) 0.2596(2) 0.0176(5) Uani 1 1 d . . . . .
N2 N 0.7243(2) 0.0413(2) 0.0265(2) 0.0221(5) Uani 1 1 d . . . . .
N6 N 0.9420(2) 0.5112(2) 0.2524(2) 0.0176(5) Uani 1 1 d . . . . .
N5 N 0.8419(2) 0.2215(2) -0.0211(2) 0.0200(5) Uani 1 1 d . . . . .
N3 N 0.9455(2) 0.2208(2) 0.2323(2) 0.0170(5) Uani 1 1 d . . . . .
N4 N 1.0099(2) 0.2925(2) 0.2218(2) 0.0176(5) Uani 1 1 d . . . . .
P1 P 0.63265(7) -0.19410(7) 0.41066(7) 0.02548(17) Uani 1 1 d . . . . .
Pt1 Pt 0.76985(2) 0.19524(2) 0.15474(2) 0.01512(4) Uani 1 1 d . . . . .
Pt2 Pt 0.90868(2) 0.35642(2) 0.13040(2) 0.01520(4) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.342(4) . ?
C1 C2 1.382(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.380(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(5) . ?
C4 H4 0.9500 . ?
C5 N1 1.379(4) . ?
C5 C6 1.470(5) . ?
C6 C7 1.396(5) . ?
C6 C11 1.397(5) . ?
C7 C8 1.396(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.391(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.395(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.395(4) . ?
C10 C12 1.464(5) . ?
C11 Pt1 1.916(3) . ?
C12 N2 1.378(4) . ?
C12 C13 1.388(5) . ?
C13 C14 1.380(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.376(5) . ?
C15 H15 0.9500 . ?
C16 N2 1.345(4) . ?
C16 H16 0.9500 . ?
C17 N6 1.345(4) . ?
C17 C18 1.383(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 N6 1.376(4) . ?
C21 C22 1.470(4) . ?
C22 C27 1.396(4) . ?
C22 C23 1.398(4) . ?
C23 C24 1.394(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.389(4) . ?
C26 C28 1.467(5) . ?
C27 Pt2 1.922(3) . ?
C28 N5 1.377(4) . ?
C28 C29 1.387(5) . ?
C29 C30 1.387(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.377(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.380(5) . ?
C31 H31 0.9500 . ?
C32 N5 1.349(4) . ?
C32 H32 0.9500 . ?
C33 C35 1.379(5) . ?
C33 C34 1.382(5) . ?
C33 H33 0.9500 . ?
C34 C36 1.380(5) . ?
C34 H34 0.9500 . ?
C35 C37 1.392(4) . ?
C35 H35 0.9500 . ?
C36 C38 1.395(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.397(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.474(4) . ?
C39 N3 1.354(4) . ?
C39 C40 1.391(4) . ?
C40 C41 1.396(4) . ?
C40 H40 0.9500 . ?
C41 N4 1.353(4) . ?
C41 C42 1.476(4) . ?
C42 C44 1.373(5) . ?
C42 C43 1.393(5) . ?
C43 C45 1.386(5) . ?
C43 H43 0.9500 . ?
C44 C46 1.397(5) . ?
C44 H44 0.9500 . ?
C45 C47 1.378(7) . ?
C45 H45 0.9500 . ?
C46 C47 1.361(7) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
Cl3 C49 1.741(5) . ?
C49 Cl4 1.736(6) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
Cl3A C49A 1.73(2) . ?
C49A Cl4A 1.69(2) . ?
C49A H49C 0.9900 . ?
C49A H49D 0.9900 . ?
Cl1 C48 1.692(7) . ?
C48 Cl2 1.718(7) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
F1 P1 1.606(2) . ?
F2 P1 1.600(2) . ?
F3 P1 1.579(2) . ?
F4 P1 1.578(2) . ?
F5 P1 1.610(2) . ?
F6 P1 1.597(2) . ?
N1 Pt1 2.036(2) . ?
N2 Pt1 2.037(3) . ?
N6 Pt2 2.037(2) . ?
N5 Pt2 2.041(2) . ?
N3 N4 1.380(3) . ?
N3 Pt1 2.133(2) . ?
N4 Pt2 2.146(2) . ?
Pt1 Pt2 3.06306(17) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.3(3) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 119.0(3) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.4(3) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 119.8(3) . . ?
N1 C5 C6 113.9(3) . . ?
C4 C5 C6 126.3(3) . . ?
C7 C6 C11 118.5(3) . . ?
C7 C6 C5 129.2(3) . . ?
C11 C6 C5 112.3(3) . . ?
C6 C7 C8 119.2(3) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.4 . . ?
C9 C8 C7 121.7(3) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C10 119.7(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 118.3(3) . . ?
C11 C10 C12 112.4(3) . . ?
C9 C10 C12 129.3(3) . . ?
C10 C11 C6 122.6(3) . . ?
C10 C11 Pt1 118.4(2) . . ?
C6 C11 Pt1 118.4(2) . . ?
N2 C12 C13 120.0(3) . . ?
N2 C12 C10 114.0(3) . . ?
C13 C12 C10 126.0(3) . . ?
C14 C13 C12 120.0(4) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C16 C15 C14 119.1(4) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
N2 C16 C15 122.2(4) . . ?
N2 C16 H16 118.9 . . ?
C15 C16 H16 118.9 . . ?
N6 C17 C18 122.1(3) . . ?
N6 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C17 C18 C19 119.5(3) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C20 118.8(3) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 H19 120.6 . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
N6 C21 C20 120.5(3) . . ?
N6 C21 C22 113.7(3) . . ?
C20 C21 C22 125.8(3) . . ?
C27 C22 C23 118.5(3) . . ?
C27 C22 C21 112.7(3) . . ?
C23 C22 C21 128.8(3) . . ?
C24 C23 C22 118.8(3) . . ?
C24 C23 H23 120.6 . . ?
C22 C23 H23 120.6 . . ?
C23 C24 C25 122.1(3) . . ?
C23 C24 H24 119.0 . . ?
C25 C24 H24 119.0 . . ?
C26 C25 C24 119.1(3) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C27 C26 C25 118.6(3) . . ?
C27 C26 C28 112.8(3) . . ?
C25 C26 C28 128.6(3) . . ?
C26 C27 C22 122.8(3) . . ?
C26 C27 Pt2 118.3(2) . . ?
C22 C27 Pt2 117.8(2) . . ?
N5 C28 C29 119.9(3) . . ?
N5 C28 C26 113.6(3) . . ?
C29 C28 C26 126.6(3) . . ?
C28 C29 C30 120.2(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C31 C30 C29 119.1(3) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 119.5(3) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
N5 C32 C31 121.9(3) . . ?
N5 C32 H32 119.1 . . ?
C31 C32 H32 119.1 . . ?
C35 C33 C34 119.9(3) . . ?
C35 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C36 C34 C33 120.3(3) . . ?
C36 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C33 C35 C37 120.0(3) . . ?
C33 C35 H35 120.0 . . ?
C37 C35 H35 120.0 . . ?
C34 C36 C38 120.9(3) . . ?
C34 C36 H36 119.6 . . ?
C38 C36 H36 119.6 . . ?
C35 C37 C38 120.7(3) . . ?
C35 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C36 C38 C37 118.2(3) . . ?
C36 C38 C39 119.5(3) . . ?
C37 C38 C39 122.3(3) . . ?
N3 C39 C40 109.1(3) . . ?
N3 C39 C38 121.4(3) . . ?
C40 C39 C38 129.4(3) . . ?
C39 C40 C41 105.8(3) . . ?
C39 C40 H40 127.1 . . ?
C41 C40 H40 127.1 . . ?
N4 C41 C40 108.7(3) . . ?
N4 C41 C42 122.2(3) . . ?
C40 C41 C42 129.1(3) . . ?
C44 C42 C43 117.6(3) . . ?
C44 C42 C41 122.2(3) . . ?
C43 C42 C41 120.3(3) . . ?
C45 C43 C42 120.9(4) . . ?
C45 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C42 C44 C46 121.5(4) . . ?
C42 C44 H44 119.2 . . ?
C46 C44 H44 119.2 . . ?
C47 C45 C43 120.4(4) . . ?
C47 C45 H45 119.8 . . ?
C43 C45 H45 119.8 . . ?
C47 C46 C44 120.2(4) . . ?
C47 C46 H46 119.9 . . ?
C44 C46 H46 119.9 . . ?
C46 C47 C45 119.4(4) . . ?
C46 C47 H47 120.3 . . ?
C45 C47 H47 120.3 . . ?
Cl4 C49 Cl3 112.5(3) . . ?
Cl4 C49 H49A 109.1 . . ?
Cl3 C49 H49A 109.1 . . ?
Cl4 C49 H49B 109.1 . . ?
Cl3 C49 H49B 109.1 . . ?
H49A C49 H49B 107.8 . . ?
Cl4A C49A Cl3A 113.4(16) . . ?
Cl4A C49A H49C 108.9 . . ?
Cl3A C49A H49C 108.9 . . ?
Cl4A C49A H49D 108.9 . . ?
Cl3A C49A H49D 108.9 . . ?
H49C C49A H49D 107.7 . . ?
Cl1 C48 Cl2 115.8(4) . . ?
Cl1 C48 H48A 108.3 . . ?
Cl2 C48 H48A 108.3 . . ?
Cl1 C48 H48B 108.3 . . ?
Cl2 C48 H48B 108.3 . . ?
H48A C48 H48B 107.4 . . ?
C1 N1 C5 119.5(3) . . ?
C1 N1 Pt1 126.3(2) . . ?
C5 N1 Pt1 114.2(2) . . ?
C16 N2 C12 119.4(3) . . ?
C16 N2 Pt1 126.4(2) . . ?
C12 N2 Pt1 114.2(2) . . ?
C17 N6 C21 119.0(3) . . ?
C17 N6 Pt2 126.6(2) . . ?
C21 N6 Pt2 114.4(2) . . ?
C32 N5 C28 119.4(3) . . ?
C32 N5 Pt2 126.1(2) . . ?
C28 N5 Pt2 114.4(2) . . ?
C39 N3 N4 107.9(2) . . ?
C39 N3 Pt1 137.2(2) . . ?
N4 N3 Pt1 114.85(18) . . ?
C41 N4 N3 108.4(2) . . ?
C41 N4 Pt2 140.1(2) . . ?
N3 N4 Pt2 111.48(17) . . ?
F4 P1 F3 91.31(15) . . ?
F4 P1 F6 91.66(16) . . ?
F3 P1 F6 90.13(14) . . ?
F4 P1 F2 90.69(15) . . ?
F3 P1 F2 91.62(14) . . ?
F6 P1 F2 177.03(15) . . ?
F4 P1 F1 178.99(15) . . ?
F3 P1 F1 89.46(13) . . ?
F6 P1 F1 89.00(14) . . ?
F2 P1 F1 88.62(12) . . ?
F4 P1 F5 90.07(17) . . ?
F3 P1 F5 178.61(16) . . ?
F6 P1 F5 89.61(13) . . ?
F2 P1 F5 88.58(13) . . ?
F1 P1 F5 89.17(15) . . ?
C11 Pt1 N1 80.62(12) . . ?
C11 Pt1 N2 80.60(12) . . ?
N1 Pt1 N2 160.69(11) . . ?
C11 Pt1 N3 169.06(11) . . ?
N1 Pt1 N3 99.38(10) . . ?
N2 Pt1 N3 99.92(10) . . ?
C11 Pt1 Pt2 103.17(9) . . ?
N1 Pt1 Pt2 78.69(7) . . ?
N2 Pt1 Pt2 110.08(7) . . ?
N3 Pt1 Pt2 66.29(6) . . ?
C27 Pt2 N6 80.67(11) . . ?
C27 Pt2 N5 80.30(12) . . ?
N6 Pt2 N5 160.57(10) . . ?
C27 Pt2 N4 167.42(11) . . ?
N6 Pt2 N4 99.82(10) . . ?
N5 Pt2 N4 99.61(10) . . ?
C27 Pt2 Pt1 100.49(8) . . ?
N6 Pt2 Pt1 109.41(7) . . ?
N5 Pt2 Pt1 78.00(7) . . ?
N4 Pt2 Pt1 67.38(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -1.3(5) . . . . ?
C1 C2 C3 C4 1.7(5) . . . . ?
C2 C3 C4 C5 0.0(5) . . . . ?
C3 C4 C5 N1 -2.2(5) . . . . ?
C3 C4 C5 C6 176.9(3) . . . . ?
N1 C5 C6 C7 -177.2(3) . . . . ?
C4 C5 C6 C7 3.6(5) . . . . ?
N1 C5 C6 C11 2.7(4) . . . . ?
C4 C5 C6 C11 -176.5(3) . . . . ?
C11 C6 C7 C8 -0.2(5) . . . . ?
C5 C6 C7 C8 179.6(3) . . . . ?
C6 C7 C8 C9 -0.3(6) . . . . ?
C7 C8 C9 C10 0.4(6) . . . . ?
C8 C9 C10 C11 0.2(5) . . . . ?
C8 C9 C10 C12 -178.2(3) . . . . ?
C9 C10 C11 C6 -0.8(5) . . . . ?
C12 C10 C11 C6 177.8(3) . . . . ?
C9 C10 C11 Pt1 -171.8(2) . . . . ?
C12 C10 C11 Pt1 6.8(4) . . . . ?
C7 C6 C11 C10 0.8(5) . . . . ?
C5 C6 C11 C10 -179.1(3) . . . . ?
C7 C6 C11 Pt1 171.9(2) . . . . ?
C5 C6 C11 Pt1 -8.0(3) . . . . ?
C11 C10 C12 N2 -4.1(4) . . . . ?
C9 C10 C12 N2 174.4(3) . . . . ?
C11 C10 C12 C13 175.1(3) . . . . ?
C9 C10 C12 C13 -6.4(6) . . . . ?
N2 C12 C13 C14 1.6(5) . . . . ?
C10 C12 C13 C14 -177.5(3) . . . . ?
C12 C13 C14 C15 -0.6(6) . . . . ?
C13 C14 C15 C16 0.1(6) . . . . ?
C14 C15 C16 N2 -0.4(5) . . . . ?
N6 C17 C18 C19 1.1(5) . . . . ?
C17 C18 C19 C20 -1.9(5) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
C19 C20 C21 N6 2.2(5) . . . . ?
C19 C20 C21 C22 -176.0(3) . . . . ?
N6 C21 C22 C27 -3.7(4) . . . . ?
C20 C21 C22 C27 174.7(3) . . . . ?
N6 C21 C22 C23 175.8(3) . . . . ?
C20 C21 C22 C23 -5.9(5) . . . . ?
C27 C22 C23 C24 1.0(5) . . . . ?
C21 C22 C23 C24 -178.4(3) . . . . ?
C22 C23 C24 C25 0.7(5) . . . . ?
C23 C24 C25 C26 -0.8(5) . . . . ?
C24 C25 C26 C27 -0.8(5) . . . . ?
C24 C25 C26 C28 177.4(3) . . . . ?
C25 C26 C27 C22 2.6(5) . . . . ?
C28 C26 C27 C22 -175.9(3) . . . . ?
C25 C26 C27 Pt2 170.5(2) . . . . ?
C28 C26 C27 Pt2 -8.0(3) . . . . ?
C23 C22 C27 C26 -2.7(4) . . . . ?
C21 C22 C27 C26 176.8(3) . . . . ?
C23 C22 C27 Pt2 -170.7(2) . . . . ?
C21 C22 C27 Pt2 8.8(3) . . . . ?
C27 C26 C28 N5 3.1(4) . . . . ?
C25 C26 C28 N5 -175.2(3) . . . . ?
C27 C26 C28 C29 -176.5(3) . . . . ?
C25 C26 C28 C29 5.2(5) . . . . ?
N5 C28 C29 C30 -1.2(5) . . . . ?
C26 C28 C29 C30 178.4(3) . . . . ?
C28 C29 C30 C31 -0.3(5) . . . . ?
C29 C30 C31 C32 1.1(5) . . . . ?
C30 C31 C32 N5 -0.5(5) . . . . ?
C35 C33 C34 C36 0.7(5) . . . . ?
C34 C33 C35 C37 -0.9(5) . . . . ?
C33 C34 C36 C38 -0.4(5) . . . . ?
C33 C35 C37 C38 0.7(5) . . . . ?
C34 C36 C38 C37 0.2(5) . . . . ?
C34 C36 C38 C39 179.4(3) . . . . ?
C35 C37 C38 C36 -0.3(4) . . . . ?
C35 C37 C38 C39 -179.5(3) . . . . ?
C36 C38 C39 N3 157.8(3) . . . . ?
C37 C38 C39 N3 -23.0(4) . . . . ?
C36 C38 C39 C40 -20.7(5) . . . . ?
C37 C38 C39 C40 158.4(3) . . . . ?
N3 C39 C40 C41 0.2(3) . . . . ?
C38 C39 C40 C41 178.9(3) . . . . ?
C39 C40 C41 N4 -0.2(3) . . . . ?
C39 C40 C41 C42 178.4(3) . . . . ?
N4 C41 C42 C44 -14.4(5) . . . . ?
C40 C41 C42 C44 167.2(4) . . . . ?
N4 C41 C42 C43 166.1(3) . . . . ?
C40 C41 C42 C43 -12.3(5) . . . . ?
C44 C42 C43 C45 0.8(6) . . . . ?
C41 C42 C43 C45 -179.7(3) . . . . ?
C43 C42 C44 C46 -1.4(7) . . . . ?
C41 C42 C44 C46 179.1(4) . . . . ?
C42 C43 C45 C47 0.7(6) . . . . ?
C42 C44 C46 C47 0.6(8) . . . . ?
C44 C46 C47 C45 0.9(8) . . . . ?
C43 C45 C47 C46 -1.5(7) . . . . ?
C2 C1 N1 C5 -1.0(4) . . . . ?
C2 C1 N1 Pt1 179.3(2) . . . . ?
C4 C5 N1 C1 2.7(4) . . . . ?
C6 C5 N1 C1 -176.5(3) . . . . ?
C4 C5 N1 Pt1 -177.6(2) . . . . ?
C6 C5 N1 Pt1 3.2(3) . . . . ?
C15 C16 N2 C12 1.4(5) . . . . ?
C15 C16 N2 Pt1 178.3(3) . . . . ?
C13 C12 N2 C16 -2.0(5) . . . . ?
C10 C12 N2 C16 177.3(3) . . . . ?
C13 C12 N2 Pt1 -179.3(2) . . . . ?
C10 C12 N2 Pt1 0.0(3) . . . . ?
C18 C17 N6 C21 1.4(4) . . . . ?
C18 C17 N6 Pt2 179.1(2) . . . . ?
C20 C21 N6 C17 -3.0(4) . . . . ?
C22 C21 N6 C17 175.4(3) . . . . ?
C20 C21 N6 Pt2 178.9(2) . . . . ?
C22 C21 N6 Pt2 -2.6(3) . . . . ?
C31 C32 N5 C28 -1.0(5) . . . . ?
C31 C32 N5 Pt2 178.5(2) . . . . ?
C29 C28 N5 C32 1.8(4) . . . . ?
C26 C28 N5 C32 -177.9(3) . . . . ?
C29 C28 N5 Pt2 -177.7(2) . . . . ?
C26 C28 N5 Pt2 2.6(3) . . . . ?
C40 C39 N3 N4 -0.1(3) . . . . ?
C38 C39 N3 N4 -178.9(2) . . . . ?
C40 C39 N3 Pt1 179.1(2) . . . . ?
C38 C39 N3 Pt1 0.3(4) . . . . ?
C40 C41 N4 N3 0.1(3) . . . . ?
C42 C41 N4 N3 -178.6(3) . . . . ?
C40 C41 N4 Pt2 180.0(2) . . . . ?
C42 C41 N4 Pt2 1.3(5) . . . . ?
C39 N3 N4 C41 0.0(3) . . . . ?
Pt1 N3 N4 C41 -179.45(18) . . . . ?
C39 N3 N4 Pt2 -179.92(18) . . . . ?
Pt1 N3 N4 Pt2 0.7(2) . . . . ?

_refine_diff_density_max         1.622
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.091


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

data_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1557382'
_audit_update_record             
;
2017-06-20 deposited with the CCDC.	2019-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H33 N6 Pt2, F6 P, C H2 Cl2'
_chemical_formula_sum            'C32 H23.33 Cl1.33 F4 N4 P0.67 Pt1.33'
_chemical_formula_weight         867.91

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   13.4179(2)
_cell_length_b                   14.2402(2)
_cell_length_c                   15.4690(3)
_cell_angle_alpha                116.174(2)
_cell_angle_beta                 110.742(2)
_cell_angle_gamma                94.4190(10)
_cell_volume                     2382.96(8)
_cell_formula_units_Z            3
_cell_measurement_temperature    250(2)
_cell_measurement_reflns_used    19813
_cell_measurement_theta_min      3.5110
_cell_measurement_theta_max      74.7190

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_F_000             1248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2251
_exptl_crystal_size_mid          0.1513
_exptl_crystal_size_min          0.0939
_exptl_absorpt_coefficient_mu    12.717
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.53340
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      250(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 5.2940
_diffrn_reflns_number            27281
_diffrn_reflns_av_unetI/netI     0.0178
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.533
_diffrn_reflns_theta_max         74.894
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             9502
_reflns_number_gt                8967
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

 Squeeze was used to remove a disordered dichloromethane molecule.
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35h (release 09-02-2015 CrysAlis171 .NET)
(compiled Feb  9 2015,16:26:32)
;
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ', SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0273P)²+2.7615P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.000561(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9502
_refine_ls_number_parameters     587
_refine_ls_number_restraints     171
_refine_ls_R_factor_all          0.0227
_refine_ls_R_factor_gt           0.0212
_refine_ls_wR_factor_ref         0.0548
_refine_ls_wR_factor_gt          0.0536
_refine_ls_goodness_of_fit_ref   1.035
_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
C1 C 0.2127(3) 1.0297(3) 0.4837(3) 0.0508(8) Uani 1 1 d . . . . .
H1 H 0.1416 1.0079 0.4281 0.061 Uiso 1 1 calc R U . . .
C2 C 0.2493(4) 1.1325(3) 0.5720(4) 0.0687(12) Uani 1 1 d . . . . .
H2 H 0.2039 1.1799 0.5766 0.082 Uiso 1 1 calc R U . . .
C3 C 0.3533(5) 1.1644(3) 0.6531(4) 0.0772(14) Uani 1 1 d . . . . .
H3 H 0.3800 1.2341 0.7141 0.093 Uiso 1 1 calc R U . . .
C4 C 0.4177(4) 1.0941(4) 0.6445(3) 0.0667(12) Uani 1 1 d . . . . .
H4 H 0.4885 1.1154 0.7002 0.080 Uiso 1 1 calc R U . . .
C5 C 0.3795(3) 0.9916(3) 0.5544(3) 0.0484(8) Uani 1 1 d . . . . .
C6 C 0.4407(3) 0.9096(3) 0.5325(3) 0.0467(8) Uani 1 1 d . . . . .
C7 C 0.3829(2) 0.8185(3) 0.4309(3) 0.0371(6) Uani 1 1 d . . . . .
C8 C 0.4226(3) 0.7283(3) 0.3934(3) 0.0438(7) Uani 1 1 d . . . . .
C9 C 0.5264(3) 0.7311(4) 0.4604(4) 0.0614(10) Uani 1 1 d . . . . .
H9 H 0.5562 0.6720 0.4377 0.074 Uiso 1 1 calc R U . . .
C10 C 0.5853(3) 0.8232(4) 0.5616(4) 0.0717(13) Uani 1 1 d . . . . .
H10 H 0.6553 0.8253 0.6067 0.086 Uiso 1 1 calc R U . . .
C11 C 0.5441(3) 0.9105(4) 0.5972(3) 0.0651(11) Uani 1 1 d . . . . .
H11 H 0.5859 0.9715 0.6657 0.078 Uiso 1 1 calc R U . . .
C12 C 0.3447(3) 0.6419(3) 0.2847(3) 0.0412(7) Uani 1 1 d . . . . .
C13 C 0.3624(4) 0.5452(3) 0.2230(4) 0.0574(10) Uani 1 1 d . . . . .
H13 H 0.4286 0.5287 0.2513 0.069 Uiso 1 1 calc R U . . .
C14 C 0.2840(4) 0.4733(3) 0.1204(4) 0.0648(11) Uani 1 1 d . . . . .
H14 H 0.2961 0.4075 0.0786 0.078 Uiso 1 1 calc R U . . .
C15 C 0.1874(4) 0.4986(3) 0.0794(3) 0.0557(10) Uani 1 1 d . . . . .
H15 H 0.1338 0.4515 0.0088 0.067 Uiso 1 1 calc R U . . .
C16 C 0.1709(3) 0.5942(3) 0.1436(3) 0.0426(7) Uani 1 1 d . . . . .
H16 H 0.1045 0.6107 0.1161 0.051 Uiso 1 1 calc R U . . .
C17 C -0.0230(3) 0.4407(3) 0.1520(2) 0.0412(7) Uani 1 1 d . . . . .
H17 H -0.0759 0.4774 0.1359 0.049 Uiso 1 1 calc R U . . .
C18 C -0.0372(3) 0.3361(3) 0.0755(3) 0.0488(8) Uani 1 1 d . . . . .
H18 H -0.0995 0.3015 0.0088 0.059 Uiso 1 1 calc R U . . .
C19 C 0.0414(4) 0.2828(3) 0.0980(3) 0.0527(9) Uani 1 1 d . . . . .
H19 H 0.0343 0.2122 0.0460 0.063 Uiso 1 1 calc R U . . .
C20 C 0.1300(3) 0.3342(3) 0.1974(3) 0.0464(8) Uani 1 1 d . . . . .
H20 H 0.1841 0.2987 0.2136 0.056 Uiso 1 1 calc R U . . .
C21 C 0.1399(3) 0.4379(2) 0.2737(2) 0.0357(6) Uani 1 1 d . . . . .
C22 C 0.2257(3) 0.4993(2) 0.3849(2) 0.0359(6) Uani 1 1 d . . . . .
C23 C 0.2089(3) 0.5980(2) 0.4442(2) 0.0345(6) Uani 1 1 d . . . . .
C24 C 0.2818(3) 0.6721(3) 0.5501(2) 0.0392(7) Uani 1 1 d . . . . .
C25 C 0.3731(3) 0.6440(3) 0.5995(3) 0.0511(8) Uani 1 1 d . . . . .
H25 H 0.4234 0.6918 0.6713 0.061 Uiso 1 1 calc R U . . .
C26 C 0.3893(3) 0.5437(3) 0.5412(3) 0.0539(9) Uani 1 1 d . . . . .
H26 H 0.4506 0.5245 0.5751 0.065 Uiso 1 1 calc R U . . .
C27 C 0.3176(3) 0.4716(3) 0.4345(3) 0.0473(8) Uani 1 1 d . . . . .
H27 H 0.3309 0.4051 0.3965 0.057 Uiso 1 1 calc R U . . .
C28 C 0.2501(3) 0.7733(3) 0.5939(2) 0.0408(7) Uani 1 1 d . . . . .
C29 C 0.3021(4) 0.8595(3) 0.6976(3) 0.0563(9) Uani 1 1 d . . . . .
H29 H 0.3654 0.8571 0.7477 0.068 Uiso 1 1 calc R U . . .
C30 C 0.2616(4) 0.9491(3) 0.7280(3) 0.0667(12) Uani 1 1 d . . . . .
H30 H 0.2975 1.0080 0.7985 0.080 Uiso 1 1 calc R U . . .
C31 C 0.1685(4) 0.9519(3) 0.6549(3) 0.0604(10) Uani 1 1 d . . . . .
H31 H 0.1392 1.0118 0.6749 0.072 Uiso 1 1 calc R U . . .
C32 C 0.1189(3) 0.8651(3) 0.5515(3) 0.0458(8) Uani 1 1 d . . . . .
H32 H 0.0556 0.8670 0.5011 0.055 Uiso 1 1 calc R U . . .
C33 C 0.1347(3) 0.9091(3) 0.1855(3) 0.0395(7) Uani 1 1 d . . . . .
H33 H 0.1804 0.8671 0.2023 0.047 Uiso 1 1 calc R U . . .
C34 C 0.1718(3) 0.9842(3) 0.1612(3) 0.0483(8) Uani 1 1 d . . . . .
H34 H 0.2428 0.9936 0.1630 0.058 Uiso 1 1 calc R U . . .
C35 C 0.1048(4) 1.0446(3) 0.1345(3) 0.0538(9) Uani 1 1 d . . . . .
H35 H 0.1296 1.0949 0.1176 0.065 Uiso 1 1 calc R U . . .
C36 C 0.0012(4) 1.0312(3) 0.1327(3) 0.0564(10) Uani 1 1 d . . . . .
H36 H -0.0447 1.0724 0.1142 0.068 Uiso 1 1 calc R U . . .
C37 C -0.0361(3) 0.9577(3) 0.1579(3) 0.0429(7) Uani 1 1 d . . . . .
H37 H -0.1068 0.9495 0.1567 0.051 Uiso 1 1 calc R U . . .
C38 C 0.0310(3) 0.8956(2) 0.1851(2) 0.0331(6) Uani 1 1 d . . . . .
C39 C -0.0113(2) 0.8164(2) 0.2100(2) 0.0318(6) Uani 1 1 d . . . . .
C40 C -0.1199(2) 0.7679(2) 0.1820(2) 0.0360(6) Uani 1 1 d . . . . .
H40 H -0.1847 0.7775 0.1407 0.043 Uiso 1 1 calc R U . . .
C41 C -0.1134(2) 0.7018(2) 0.2277(2) 0.0333(6) Uani 1 1 d . . . . .
C42 C -0.2038(3) 0.6297(2) 0.2216(3) 0.0401(7) Uani 1 1 d . U . . .
C43 C -0.3117(3) 0.6023(4) 0.1467(3) 0.0655(11) Uani 1 1 d . U . . .
H43 H -0.3275 0.6299 0.0998 0.079 Uiso 1 1 calc R U . . .
C44 C -0.3966(4) 0.5345(4) 0.1408(4) 0.0816(14) Uani 1 1 d . U . . .
H44 H -0.4696 0.5173 0.0902 0.098 Uiso 1 1 calc R U . . .
C45 C -0.3767(4) 0.4923(4) 0.2064(5) 0.0788(14) Uani 1 1 d . U . . .
H45 H -0.4348 0.4445 0.1999 0.095 Uiso 1 1 calc R U . . .
C46 C -0.2714(4) 0.5198(5) 0.2821(6) 0.0938(18) Uani 1 1 d . U . . .
H46 H -0.2569 0.4919 0.3288 0.113 Uiso 1 1 calc R U . . .
C47 C -0.1846(4) 0.5898(4) 0.2905(5) 0.0766(14) Uani 1 1 d . U . . .
H47 H -0.1125 0.6096 0.3439 0.092 Uiso 1 1 calc R U . . .
C49 C 1.0326(9) 0.3621(7) 0.4328(7) 0.148(4) Uani 1 1 d . . . . .
H49A H 1.0085 0.3662 0.4870 0.177 Uiso 1 1 calc R U . . .
H49B H 1.0869 0.4317 0.4646 0.177 Uiso 1 1 calc R U . . .
N1 N 0.2748(2) 0.9598(2) 0.4743(2) 0.0400(6) Uani 1 1 d . . . . .
N2 N 0.2466(2) 0.6645(2) 0.2442(2) 0.0356(5) Uani 1 1 d . . . . .
N3 N 0.0577(2) 0.78169(19) 0.26926(19) 0.0318(5) Uani 1 1 d . . . . .
N4 N -0.0058(2) 0.7108(2) 0.2804(2) 0.0329(5) Uani 1 1 d . . . . .
N5 N 0.0638(2) 0.49206(19) 0.24882(19) 0.0326(5) Uani 1 1 d . . . . .
N6 N 0.1583(2) 0.7775(2) 0.5206(2) 0.0376(6) Uani 1 1 d . . . . .
F1 F 0.4951(3) 0.1961(4) 0.1220(3) 0.1155(13) Uani 1 1 d . U . . .
F2 F 0.3744(3) 0.2402(4) 0.0136(3) 0.1316(16) Uani 1 1 d . U . . .
F3 F 0.4086(3) 0.3138(3) 0.1862(3) 0.1003(11) Uani 1 1 d . U . . .
F4 F 0.3297(5) 0.0774(3) -0.0085(3) 0.165(2) Uani 1 1 d . U . . .
F5 F 0.3668(4) 0.1498(3) 0.1635(3) 0.1204(14) Uani 1 1 d . U . . .
F6 F 0.2469(2) 0.2034(3) 0.0578(3) 0.0986(10) Uani 1 1 d . U . . .
P1 P 0.36993(8) 0.19236(9) 0.08763(8) 0.0551(2) Uani 1 1 d . U . . .
Pt1 Pt 0.23260(2) 0.80759(2) 0.34745(2) 0.03010(5) Uani 1 1 d . . . . .
Pt2 Pt 0.09480(2) 0.64518(2) 0.37023(2) 0.02985(4) Uani 1 1 d . . . . .
Cl3 Cl 0.9290(3) 0.3510(3) 0.3362(4) 0.2098(16) Uani 1 1 d . . . . .
Cl4 Cl 1.1007(2) 0.25993(19) 0.40685(19) 0.1478(9) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.339(5) . ?
C1 C2 1.378(5) . ?
C1 H1 0.9400 . ?
C2 C3 1.375(8) . ?
C2 H2 0.9400 . ?
C3 C4 1.364(7) . ?
C3 H3 0.9400 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9400 . ?
C5 N1 1.375(5) . ?
C5 C6 1.466(6) . ?
C6 C11 1.388(5) . ?
C6 C7 1.392(5) . ?
C7 C8 1.392(5) . ?
C7 Pt1 1.921(3) . ?
C8 C9 1.395(5) . ?
C8 C12 1.471(5) . ?
C9 C10 1.396(7) . ?
C9 H9 0.9400 . ?
C10 C11 1.368(7) . ?
C10 H10 0.9400 . ?
C11 H11 0.9400 . ?
C12 N2 1.374(4) . ?
C12 C13 1.384(5) . ?
C13 C14 1.376(6) . ?
C13 H13 0.9400 . ?
C14 C15 1.380(7) . ?
C14 H14 0.9400 . ?
C15 C16 1.377(5) . ?
C15 H15 0.9400 . ?
C16 N2 1.344(4) . ?
C16 H16 0.9400 . ?
C17 N5 1.342(4) . ?
C17 C18 1.378(5) . ?
C17 H17 0.9400 . ?
C18 C19 1.381(6) . ?
C18 H18 0.9400 . ?
C19 C20 1.376(5) . ?
C19 H19 0.9400 . ?
C20 C21 1.383(5) . ?
C20 H20 0.9400 . ?
C21 N5 1.375(4) . ?
C21 C22 1.471(4) . ?
C22 C23 1.387(4) . ?
C22 C27 1.392(5) . ?
C23 C24 1.390(4) . ?
C23 Pt2 1.924(3) . ?
C24 C25 1.389(5) . ?
C24 C28 1.467(5) . ?
C25 C26 1.396(6) . ?
C25 H25 0.9400 . ?
C26 C27 1.390(5) . ?
C26 H26 0.9400 . ?
C27 H27 0.9400 . ?
C28 N6 1.375(4) . ?
C28 C29 1.381(5) . ?
C29 C30 1.380(6) . ?
C29 H29 0.9400 . ?
C30 C31 1.374(7) . ?
C30 H30 0.9400 . ?
C31 C32 1.380(5) . ?
C31 H31 0.9400 . ?
C32 N6 1.348(4) . ?
C32 H32 0.9400 . ?
C33 C38 1.386(5) . ?
C33 C34 1.393(4) . ?
C33 H33 0.9400 . ?
C34 C35 1.373(6) . ?
C34 H34 0.9400 . ?
C35 C36 1.378(6) . ?
C35 H35 0.9400 . ?
C36 C37 1.383(5) . ?
C36 H36 0.9400 . ?
C37 C38 1.397(4) . ?
C37 H37 0.9400 . ?
C38 C39 1.478(4) . ?
C39 N3 1.346(4) . ?
C39 C40 1.387(4) . ?
C40 C41 1.396(4) . ?
C40 H40 0.9400 . ?
C41 N4 1.347(4) . ?
C41 C42 1.474(4) . ?
C42 C47 1.375(6) . ?
C42 C43 1.385(5) . ?
C43 C44 1.385(6) . ?
C43 H43 0.9400 . ?
C44 C45 1.354(8) . ?
C44 H44 0.9400 . ?
C45 C46 1.363(8) . ?
C45 H45 0.9400 . ?
C46 C47 1.402(6) . ?
C46 H46 0.9400 . ?
C47 H47 0.9400 . ?
C49 Cl3 1.574(11) . ?
C49 Cl4 1.751(10) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
N1 Pt1 2.035(3) . ?
N2 Pt1 2.034(3) . ?
N3 N4 1.379(3) . ?
N3 Pt1 2.137(2) . ?
N4 Pt2 2.152(2) . ?
N5 Pt2 2.037(2) . ?
N6 Pt2 2.042(2) . ?
F1 P1 1.560(3) . ?
F2 P1 1.585(3) . ?
F3 P1 1.600(3) . ?
F4 P1 1.527(4) . ?
F5 P1 1.551(3) . ?
F6 P1 1.590(3) . ?
Pt1 Pt2 3.06805(16) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.3(4) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C4 C3 C2 119.5(4) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 120.7(4) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
N1 C5 C4 119.4(4) . . ?
N1 C5 C6 114.0(3) . . ?
C4 C5 C6 126.6(4) . . ?
C11 C6 C7 117.7(4) . . ?
C11 C6 C5 129.7(4) . . ?
C7 C6 C5 112.5(3) . . ?
C6 C7 C8 123.0(3) . . ?
C6 C7 Pt1 118.1(3) . . ?
C8 C7 Pt1 118.2(2) . . ?
C7 C8 C9 118.0(4) . . ?
C7 C8 C12 112.4(3) . . ?
C9 C8 C12 129.6(4) . . ?
C8 C9 C10 119.0(4) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 121.9(4) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C10 C11 C6 120.3(4) . . ?
C10 C11 H11 119.9 . . ?
C6 C11 H11 119.9 . . ?
N2 C12 C13 119.7(3) . . ?
N2 C12 C8 113.8(3) . . ?
C13 C12 C8 126.5(3) . . ?
C14 C13 C12 120.5(4) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 119.3(4) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C16 C15 C14 118.9(4) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
N2 C16 C15 122.2(4) . . ?
N2 C16 H16 118.9 . . ?
C15 C16 H16 118.9 . . ?
N5 C17 C18 122.1(3) . . ?
N5 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C17 C18 C19 119.2(3) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 119.2(3) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C19 C20 C21 120.2(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
N5 C21 C20 120.1(3) . . ?
N5 C21 C22 113.9(3) . . ?
C20 C21 C22 126.0(3) . . ?
C23 C22 C27 118.6(3) . . ?
C23 C22 C21 112.5(3) . . ?
C27 C22 C21 128.9(3) . . ?
C22 C23 C24 122.9(3) . . ?
C22 C23 Pt2 118.2(2) . . ?
C24 C23 Pt2 118.0(2) . . ?
C25 C24 C23 118.3(3) . . ?
C25 C24 C28 128.7(3) . . ?
C23 C24 C28 113.0(3) . . ?
C24 C25 C26 119.1(3) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C27 C26 C25 122.0(3) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C26 C27 C22 119.0(3) . . ?
C26 C27 H27 120.5 . . ?
C22 C27 H27 120.5 . . ?
N6 C28 C29 119.7(3) . . ?
N6 C28 C24 113.6(3) . . ?
C29 C28 C24 126.7(3) . . ?
C30 C29 C28 120.2(4) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C31 C30 C29 119.7(4) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 118.8(4) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 H31 120.6 . . ?
N6 C32 C31 122.0(4) . . ?
N6 C32 H32 119.0 . . ?
C31 C32 H32 119.0 . . ?
C38 C33 C34 120.7(3) . . ?
C38 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
C35 C34 C33 120.0(4) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 119.8(3) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C37 120.6(3) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C36 C37 C38 120.3(3) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 118.5(3) . . ?
C33 C38 C39 122.2(3) . . ?
C37 C38 C39 119.3(3) . . ?
N3 C39 C40 109.2(3) . . ?
N3 C39 C38 121.6(3) . . ?
C40 C39 C38 129.2(3) . . ?
C39 C40 C41 105.8(3) . . ?
C39 C40 H40 127.1 . . ?
C41 C40 H40 127.1 . . ?
N4 C41 C40 108.6(3) . . ?
N4 C41 C42 122.3(3) . . ?
C40 C41 C42 129.1(3) . . ?
C47 C42 C43 118.1(4) . . ?
C47 C42 C41 121.6(3) . . ?
C43 C42 C41 120.3(3) . . ?
C42 C43 C44 120.3(5) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C45 C44 C43 121.4(5) . . ?
C45 C44 H44 119.3 . . ?
C43 C44 H44 119.3 . . ?
C44 C45 C46 119.3(4) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C45 C46 C47 120.2(5) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C42 C47 C46 120.7(5) . . ?
C42 C47 H47 119.6 . . ?
C46 C47 H47 119.6 . . ?
Cl3 C49 Cl4 117.8(6) . . ?
Cl3 C49 H49A 107.9 . . ?
Cl4 C49 H49A 107.9 . . ?
Cl3 C49 H49B 107.9 . . ?
Cl4 C49 H49B 107.9 . . ?
H49A C49 H49B 107.2 . . ?
C1 N1 C5 119.3(3) . . ?
C1 N1 Pt1 126.4(3) . . ?
C5 N1 Pt1 114.3(2) . . ?
C16 N2 C12 119.4(3) . . ?
C16 N2 Pt1 126.2(2) . . ?
C12 N2 Pt1 114.4(2) . . ?
C39 N3 N4 108.0(2) . . ?
C39 N3 Pt1 137.5(2) . . ?
N4 N3 Pt1 114.53(17) . . ?
C41 N4 N3 108.4(2) . . ?
C41 N4 Pt2 139.7(2) . . ?
N3 N4 Pt2 111.84(17) . . ?
C17 N5 C21 119.1(3) . . ?
C17 N5 Pt2 126.6(2) . . ?
C21 N5 Pt2 114.20(19) . . ?
C32 N6 C28 119.5(3) . . ?
C32 N6 Pt2 126.1(2) . . ?
C28 N6 Pt2 114.4(2) . . ?
F4 P1 F5 92.6(3) . . ?
F4 P1 F1 94.0(3) . . ?
F5 P1 F1 89.4(2) . . ?
F4 P1 F2 89.5(3) . . ?
F5 P1 F2 178.0(3) . . ?
F1 P1 F2 90.5(2) . . ?
F4 P1 F6 91.6(2) . . ?
F5 P1 F6 94.0(2) . . ?
F1 P1 F6 173.3(2) . . ?
F2 P1 F6 85.9(2) . . ?
F4 P1 F3 178.1(2) . . ?
F5 P1 F3 88.4(2) . . ?
F1 P1 F3 87.6(2) . . ?
F2 P1 F3 89.5(2) . . ?
F6 P1 F3 86.68(18) . . ?
C7 Pt1 N2 80.57(12) . . ?
C7 Pt1 N1 80.60(13) . . ?
N2 Pt1 N1 160.66(11) . . ?
C7 Pt1 N3 169.52(11) . . ?
N2 Pt1 N3 99.47(10) . . ?
N1 Pt1 N3 99.85(10) . . ?
C7 Pt1 Pt2 103.41(9) . . ?
N2 Pt1 Pt2 79.26(7) . . ?
N1 Pt1 Pt2 109.46(8) . . ?
N3 Pt1 Pt2 66.46(6) . . ?
C23 Pt2 N5 80.53(12) . . ?
C23 Pt2 N6 80.43(12) . . ?
N5 Pt2 N6 160.53(11) . . ?
C23 Pt2 N4 167.71(11) . . ?
N5 Pt2 N4 99.55(10) . . ?
N6 Pt2 N4 99.93(10) . . ?
C23 Pt2 Pt1 101.08(8) . . ?
N5 Pt2 Pt1 108.78(7) . . ?
N6 Pt2 Pt1 78.96(7) . . ?
N4 Pt2 Pt1 67.14(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 0.1(7) . . . . ?
C1 C2 C3 C4 0.1(7) . . . . ?
C2 C3 C4 C5 0.6(7) . . . . ?
C3 C4 C5 N1 -1.6(6) . . . . ?
C3 C4 C5 C6 177.6(4) . . . . ?
N1 C5 C6 C11 -175.3(4) . . . . ?
C4 C5 C6 C11 5.4(7) . . . . ?
N1 C5 C6 C7 4.4(4) . . . . ?
C4 C5 C6 C7 -174.8(4) . . . . ?
C11 C6 C7 C8 2.0(5) . . . . ?
C5 C6 C7 C8 -177.8(3) . . . . ?
C11 C6 C7 Pt1 172.3(3) . . . . ?
C5 C6 C7 Pt1 -7.5(4) . . . . ?
C6 C7 C8 C9 -1.5(5) . . . . ?
Pt1 C7 C8 C9 -171.8(3) . . . . ?
C6 C7 C8 C12 178.4(3) . . . . ?
Pt1 C7 C8 C12 8.2(4) . . . . ?
C7 C8 C9 C10 0.4(6) . . . . ?
C12 C8 C9 C10 -179.6(4) . . . . ?
C8 C9 C10 C11 0.3(7) . . . . ?
C9 C10 C11 C6 0.2(7) . . . . ?
C7 C6 C11 C10 -1.3(6) . . . . ?
C5 C6 C11 C10 178.4(4) . . . . ?
C7 C8 C12 N2 -3.2(4) . . . . ?
C9 C8 C12 N2 176.8(4) . . . . ?
C7 C8 C12 C13 175.9(3) . . . . ?
C9 C8 C12 C13 -4.1(6) . . . . ?
N2 C12 C13 C14 1.9(5) . . . . ?
C8 C12 C13 C14 -177.2(3) . . . . ?
C12 C13 C14 C15 0.3(6) . . . . ?
C13 C14 C15 C16 -1.8(6) . . . . ?
C14 C15 C16 N2 1.3(5) . . . . ?
N5 C17 C18 C19 -1.3(5) . . . . ?
C17 C18 C19 C20 2.0(6) . . . . ?
C18 C19 C20 C21 0.1(6) . . . . ?
C19 C20 C21 N5 -3.0(5) . . . . ?
C19 C20 C21 C22 175.6(3) . . . . ?
N5 C21 C22 C23 3.2(4) . . . . ?
C20 C21 C22 C23 -175.5(3) . . . . ?
N5 C21 C22 C27 -176.2(3) . . . . ?
C20 C21 C22 C27 5.2(5) . . . . ?
C27 C22 C23 C24 2.2(5) . . . . ?
C21 C22 C23 C24 -177.2(3) . . . . ?
C27 C22 C23 Pt2 171.1(2) . . . . ?
C21 C22 C23 Pt2 -8.3(3) . . . . ?
C22 C23 C24 C25 -2.5(5) . . . . ?
Pt2 C23 C24 C25 -171.4(3) . . . . ?
C22 C23 C24 C28 176.5(3) . . . . ?
Pt2 C23 C24 C28 7.6(4) . . . . ?
C23 C24 C25 C26 0.9(5) . . . . ?
C28 C24 C25 C26 -177.9(3) . . . . ?
C24 C25 C26 C27 0.9(6) . . . . ?
C25 C26 C27 C22 -1.2(6) . . . . ?
C23 C22 C27 C26 -0.3(5) . . . . ?
C21 C22 C27 C26 179.0(3) . . . . ?
C25 C24 C28 N6 175.7(3) . . . . ?
C23 C24 C28 N6 -3.2(4) . . . . ?
C25 C24 C28 C29 -4.8(6) . . . . ?
C23 C24 C28 C29 176.3(3) . . . . ?
N6 C28 C29 C30 0.7(6) . . . . ?
C24 C28 C29 C30 -178.8(4) . . . . ?
C28 C29 C30 C31 0.6(6) . . . . ?
C29 C30 C31 C32 -1.2(6) . . . . ?
C30 C31 C32 N6 0.6(6) . . . . ?
C38 C33 C34 C35 -1.2(5) . . . . ?
C33 C34 C35 C36 0.5(6) . . . . ?
C34 C35 C36 C37 0.3(6) . . . . ?
C35 C36 C37 C38 -0.3(6) . . . . ?
C34 C33 C38 C37 1.1(5) . . . . ?
C34 C33 C38 C39 179.7(3) . . . . ?
C36 C37 C38 C33 -0.4(5) . . . . ?
C36 C37 C38 C39 -179.0(3) . . . . ?
C33 C38 C39 N3 23.8(4) . . . . ?
C37 C38 C39 N3 -157.5(3) . . . . ?
C33 C38 C39 C40 -157.4(3) . . . . ?
C37 C38 C39 C40 21.2(5) . . . . ?
N3 C39 C40 C41 0.2(3) . . . . ?
C38 C39 C40 C41 -178.7(3) . . . . ?
C39 C40 C41 N4 0.0(3) . . . . ?
C39 C40 C41 C42 -178.5(3) . . . . ?
N4 C41 C42 C47 17.2(5) . . . . ?
C40 C41 C42 C47 -164.5(4) . . . . ?
N4 C41 C42 C43 -164.3(3) . . . . ?
C40 C41 C42 C43 14.0(5) . . . . ?
C47 C42 C43 C44 -1.5(7) . . . . ?
C41 C42 C43 C44 179.9(4) . . . . ?
C42 C43 C44 C45 -0.8(8) . . . . ?
C43 C44 C45 C46 2.0(9) . . . . ?
C44 C45 C46 C47 -1.0(9) . . . . ?
C43 C42 C47 C46 2.5(8) . . . . ?
C41 C42 C47 C46 -178.9(5) . . . . ?
C45 C46 C47 C42 -1.3(9) . . . . ?
C2 C1 N1 C5 -1.0(5) . . . . ?
C2 C1 N1 Pt1 -178.5(3) . . . . ?
C4 C5 N1 C1 1.7(5) . . . . ?
C6 C5 N1 C1 -177.6(3) . . . . ?
C4 C5 N1 Pt1 179.5(3) . . . . ?
C6 C5 N1 Pt1 0.2(4) . . . . ?
C15 C16 N2 C12 0.9(5) . . . . ?
C15 C16 N2 Pt1 -179.8(3) . . . . ?
C13 C12 N2 C16 -2.4(4) . . . . ?
C8 C12 N2 C16 176.7(3) . . . . ?
C13 C12 N2 Pt1 178.1(3) . . . . ?
C8 C12 N2 Pt1 -2.7(3) . . . . ?
C40 C39 N3 N4 -0.3(3) . . . . ?
C38 C39 N3 N4 178.7(2) . . . . ?
C40 C39 N3 Pt1 -180.0(2) . . . . ?
C38 C39 N3 Pt1 -1.0(5) . . . . ?
C40 C41 N4 N3 -0.1(3) . . . . ?
C42 C41 N4 N3 178.5(3) . . . . ?
C40 C41 N4 Pt2 -177.4(2) . . . . ?
C42 C41 N4 Pt2 1.3(5) . . . . ?
C39 N3 N4 C41 0.3(3) . . . . ?
Pt1 N3 N4 C41 -179.96(18) . . . . ?
C39 N3 N4 Pt2 178.32(18) . . . . ?
Pt1 N3 N4 Pt2 -1.9(2) . . . . ?
C18 C17 N5 C21 -1.5(5) . . . . ?
C18 C17 N5 Pt2 -179.2(3) . . . . ?
C20 C21 N5 C17 3.6(4) . . . . ?
C22 C21 N5 C17 -175.1(3) . . . . ?
C20 C21 N5 Pt2 -178.4(2) . . . . ?
C22 C21 N5 Pt2 2.9(3) . . . . ?
C31 C32 N6 C28 0.7(5) . . . . ?
C31 C32 N6 Pt2 -178.9(3) . . . . ?
C29 C28 N6 C32 -1.3(5) . . . . ?
C24 C28 N6 C32 178.2(3) . . . . ?
C29 C28 N6 Pt2 178.3(3) . . . . ?
C24 C28 N6 Pt2 -2.1(3) . . . . ?

_refine_diff_density_max         0.846
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.076



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/hexanes'
_exptl_crystal_preparation       ', Luminescent'
