# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017

####################################################################### 
# 
# 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_5a
_database_code_depnum_ccdc_archive 'CCDC 1540274'
_audit_update_record             
;
2017-03-26 deposited with the CCDC.
2017-10-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C58 H45 Cl N2 P2 Pt2'
_chemical_formula_sum            'C58 H45 Cl N2 P2 Pt2'
_chemical_formula_weight         1257.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   20.0996(3)
_cell_length_b                   11.2677(2)
_cell_length_c                   20.9221(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.228(2)
_cell_angle_gamma                90
_cell_volume                     4710.39(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    8882
_cell_measurement_theta_min      2.8140
_cell_measurement_theta_max      28.1180

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_F_000             2440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    6.100
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.53523
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector_area_resol_mean 16.1544
_diffrn_measurement_method       '/w scan'
_diffrn_reflns_number            19810
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.820
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8285
_reflns_number_gt                6503
_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       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL (Sheldrick, 2015)'

_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)+(0.0164P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8285
_refine_ls_number_parameters     586
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0568
_refine_ls_wR_factor_gt          0.0530
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_restrained_S_all      0.960
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.58939(2) 0.19605(2) 0.00624(2) 0.03998(7) Uani 1 1 d . . . . .
Pt2 Pt 0.89482(2) 0.14805(2) 0.04712(2) 0.03265(6) Uani 1 1 d . . . . .
P1 P 0.69297(6) 0.15580(12) -0.02704(7) 0.0368(3) Uani 1 1 d . . . . .
P2 P 0.82621(6) -0.00347(11) 0.01995(7) 0.0330(3) Uani 1 1 d . . . . .
Cl1 Cl 0.91538(7) 0.19272(12) -0.06029(7) 0.0506(4) Uani 1 1 d . . . . .
N1 N 0.5539(2) 0.3183(4) -0.0681(2) 0.0462(12) Uani 1 1 d . . . . .
C2 C 0.5814(3) 0.3539(5) -0.1195(3) 0.0629(19) Uani 1 1 d . . . . .
H2 H 0.6218 0.3203 -0.1277 0.075 Uiso 1 1 calc R U . . .
C3 C 0.5528(3) 0.4386(5) -0.1618(3) 0.0665(19) Uani 1 1 d . . . . .
H3 H 0.5735 0.4596 -0.1978 0.080 Uiso 1 1 calc R U . . .
C4 C 0.4939(3) 0.4913(5) -0.1503(3) 0.0686(19) Uani 1 1 d . . . . .
H4 H 0.4752 0.5507 -0.1774 0.082 Uiso 1 1 calc R U . . .
C5 C 0.4625(3) 0.4552(5) -0.0976(3) 0.0522(16) Uani 1 1 d . . . . .
C6 C 0.3995(3) 0.5011(5) -0.0827(4) 0.070(2) Uani 1 1 d . . . . .
H6 H 0.3781 0.5603 -0.1082 0.084 Uiso 1 1 calc R U . . .
C7 C 0.3715(3) 0.4588(6) -0.0320(4) 0.070(2) Uani 1 1 d . . . . .
H7 H 0.3301 0.4891 -0.0242 0.084 Uiso 1 1 calc R U . . .
C8 C 0.4009(3) 0.3706(5) 0.0106(3) 0.0549(17) Uani 1 1 d . . . . .
C9 C 0.3725(3) 0.3261(5) 0.0618(4) 0.065(2) Uani 1 1 d . . . . .
H9 H 0.3306 0.3524 0.0704 0.078 Uiso 1 1 calc R U . . .
C10 C 0.4056(3) 0.2435(6) 0.1000(3) 0.067(2) Uani 1 1 d . . . . .
H10 H 0.3859 0.2148 0.1351 0.080 Uiso 1 1 calc R U . . .
C11 C 0.4688(3) 0.1993(5) 0.0883(3) 0.0549(17) Uani 1 1 d . . . . .
H11 H 0.4898 0.1423 0.1156 0.066 Uiso 1 1 calc R U . . .
C12 C 0.4998(2) 0.2398(5) 0.0368(3) 0.0437(14) Uani 1 1 d . . . . .
C13 C 0.4643(2) 0.3259(4) -0.0025(3) 0.0445(15) Uani 1 1 d . . . . .
C14 C 0.4932(2) 0.3684(5) -0.0572(3) 0.0455(15) Uani 1 1 d . . . . .
C15 C 0.6083(2) 0.0885(5) 0.0821(3) 0.0393(14) Uani 1 1 d . . . . .
C16 C 0.5899(3) -0.0302(5) 0.0783(3) 0.0576(17) Uani 1 1 d . . . . .
H16 H 0.5681 -0.0593 0.0400 0.069 Uiso 1 1 calc R U . . .
C17 C 0.6031(4) -0.1066(6) 0.1303(4) 0.082(2) Uani 1 1 d . . . . .
H17 H 0.5893 -0.1853 0.1262 0.099 Uiso 1 1 calc R U . . .
C18 C 0.6355(4) -0.0692(8) 0.1865(4) 0.085(3) Uani 1 1 d . . . . .
C19 C 0.6539(5) -0.1558(7) 0.2411(4) 0.157(4) Uani 1 1 d . . . . .
H19A H 0.6763 -0.1141 0.2772 0.235 Uiso 1 1 calc R U . . .
H19B H 0.6830 -0.2159 0.2272 0.235 Uiso 1 1 calc R U . . .
H19C H 0.6140 -0.1922 0.2533 0.235 Uiso 1 1 calc R U . . .
C21 C 0.6395(3) 0.1257(6) 0.1392(3) 0.0560(17) Uani 1 1 d . . . . .
H21 H 0.6522 0.2049 0.1437 0.067 Uiso 1 1 calc R U . . .
C22 C 0.6533(3) 0.0491(7) 0.1918(3) 0.074(2) Uani 1 1 d . . . . .
H22 H 0.6746 0.0780 0.2304 0.089 Uiso 1 1 calc R U . . .
C23 C 0.7453(2) 0.2877(4) -0.0168(3) 0.0374(13) Uani 1 1 d . . . . .
C24 C 0.7583(2) 0.3631(5) -0.0664(3) 0.0496(16) Uani 1 1 d . . . . .
H24 H 0.7446 0.3421 -0.1088 0.059 Uiso 1 1 calc R U . . .
C25 C 0.7916(3) 0.4695(5) -0.0530(4) 0.0605(19) Uani 1 1 d . . . . .
H25 H 0.7997 0.5201 -0.0864 0.073 Uiso 1 1 calc R U . . .
C26 C 0.8126(3) 0.5002(5) 0.0091(4) 0.064(2) Uani 1 1 d . . . . .
H26 H 0.8350 0.5716 0.0175 0.076 Uiso 1 1 calc R U . . .
C27 C 0.8010(2) 0.4274(5) 0.0589(3) 0.0558(17) Uani 1 1 d . . . . .
H27 H 0.8163 0.4482 0.1010 0.067 Uiso 1 1 calc R U . . .
C28 C 0.7663(3) 0.3223(4) 0.0462(3) 0.0440(15) Uani 1 1 d . . . . .
H28 H 0.7569 0.2741 0.0801 0.053 Uiso 1 1 calc R U . . .
C29 C 0.6927(2) 0.1084(4) -0.1103(3) 0.0395(13) Uani 1 1 d . . . . .
C30 C 0.6326(3) 0.0610(5) -0.1396(3) 0.0580(17) Uani 1 1 d . . . . .
H30 H 0.5953 0.0584 -0.1170 0.070 Uiso 1 1 calc R U . . .
C31 C 0.6282(4) 0.0178(6) -0.2020(4) 0.082(2) Uani 1 1 d . . . . .
H31 H 0.5884 -0.0147 -0.2211 0.098 Uiso 1 1 calc R U . . .
C32 C 0.6833(4) 0.0237(6) -0.2351(4) 0.087(2) Uani 1 1 d . . . . .
H32 H 0.6808 -0.0052 -0.2770 0.104 Uiso 1 1 calc R U . . .
C33 C 0.7420(4) 0.0714(6) -0.2075(3) 0.071(2) Uani 1 1 d . . . . .
H33 H 0.7787 0.0766 -0.2308 0.085 Uiso 1 1 calc R U . . .
C34 C 0.7467(3) 0.1119(5) -0.1445(3) 0.0496(15) Uani 1 1 d . . . . .
H34 H 0.7871 0.1419 -0.1254 0.060 Uiso 1 1 calc R U . . .
C35 C 0.7374(2) 0.0380(4) 0.0199(2) 0.0345(13) Uani 1 1 d . . . . .
H35A H 0.7122 -0.0340 0.0090 0.041 Uiso 1 1 calc R U . . .
H35B H 0.7315 0.0551 0.0644 0.041 Uiso 1 1 calc R U . . .
N37 N 0.95829(18) 0.2884(3) 0.0788(2) 0.0383(11) Uani 1 1 d . . . . .
C38 C 0.9994(2) 0.3492(5) 0.0460(3) 0.0484(15) Uani 1 1 d . . . . .
H38 H 1.0035 0.3275 0.0037 0.058 Uiso 1 1 calc R U . . .
C39 C 1.0370(3) 0.4445(5) 0.0725(3) 0.0543(17) Uani 1 1 d . . . . .
H39 H 1.0653 0.4858 0.0480 0.065 Uiso 1 1 calc R U . . .
C40 C 1.0321(3) 0.4765(5) 0.1341(3) 0.0563(17) Uani 1 1 d . . . . .
H40 H 1.0566 0.5409 0.1517 0.068 Uiso 1 1 calc R U . . .
C41 C 0.9910(3) 0.4146(5) 0.1713(3) 0.0460(15) Uani 1 1 d . . . . .
C42 C 0.9833(3) 0.4389(5) 0.2363(3) 0.0595(17) Uani 1 1 d . . . . .
H42 H 1.0062 0.5022 0.2570 0.071 Uiso 1 1 calc R U . . .
C43 C 0.9431(3) 0.3711(5) 0.2686(3) 0.0575(17) Uani 1 1 d . . . . .
H43 H 0.9387 0.3898 0.3112 0.069 Uiso 1 1 calc R U . . .
C44 C 0.9069(3) 0.2716(4) 0.2403(3) 0.0391(13) Uani 1 1 d . . . . .
C45 C 0.8659(3) 0.1998(5) 0.2730(3) 0.0496(15) Uani 1 1 d . . . . .
H45 H 0.8612 0.2146 0.3160 0.060 Uiso 1 1 calc R U . . .
C46 C 0.8327(3) 0.1077(5) 0.2420(3) 0.0502(15) Uani 1 1 d . . . . .
H46 H 0.8052 0.0601 0.2643 0.060 Uiso 1 1 calc R U . . .
C47 C 0.8388(2) 0.0827(5) 0.1773(3) 0.0439(14) Uani 1 1 d . . . . .
H47 H 0.8147 0.0196 0.1578 0.053 Uiso 1 1 calc R U . . .
C48 C 0.8796(2) 0.1485(4) 0.1409(2) 0.0329(12) Uani 1 1 d . . . . .
C49 C 0.9126(2) 0.2450(4) 0.1751(3) 0.0363(13) Uani 1 1 d . . . . .
C50 C 0.9551(2) 0.3182(4) 0.1418(3) 0.0388(13) Uani 1 1 d . . . . .
C51 C 0.8332(2) -0.0837(4) -0.0547(2) 0.0367(13) Uani 1 1 d . . . . .
C52 C 0.7808(3) -0.1504(5) -0.0835(3) 0.0546(16) Uani 1 1 d . . . . .
H52 H 0.7404 -0.1509 -0.0656 0.066 Uiso 1 1 calc R U . . .
C53 C 0.7863(4) -0.2158(5) -0.1376(3) 0.0708(19) Uani 1 1 d . . . . .
H53 H 0.7499 -0.2593 -0.1560 0.085 Uiso 1 1 calc R U . . .
C54 C 0.8447(4) -0.2177(5) -0.1648(3) 0.0665(19) Uani 1 1 d . . . . .
H54 H 0.8484 -0.2619 -0.2018 0.080 Uiso 1 1 calc R U . . .
C55 C 0.8970(3) -0.1545(5) -0.1372(3) 0.0623(19) Uani 1 1 d . . . . .
H55 H 0.9370 -0.1555 -0.1557 0.075 Uiso 1 1 calc R U . . .
C56 C 0.8932(3) -0.0878(5) -0.0818(3) 0.0469(15) Uani 1 1 d . . . . .
H56 H 0.9304 -0.0464 -0.0632 0.056 Uiso 1 1 calc R U . . .
C57 C 0.8360(2) -0.1300(4) 0.0750(2) 0.0363(13) Uani 1 1 d . . . . .
C58 C 0.9008(3) -0.1660(5) 0.0951(3) 0.0534(16) Uani 1 1 d . . . . .
H58 H 0.9366 -0.1258 0.0806 0.064 Uiso 1 1 calc R U . . .
C59 C 0.9127(3) -0.2613(5) 0.1365(3) 0.0688(19) Uani 1 1 d . . . . .
H59 H 0.9564 -0.2848 0.1497 0.083 Uiso 1 1 calc R U . . .
C60 C 0.8598(4) -0.3210(5) 0.1580(3) 0.0669(19) Uani 1 1 d . . . . .
H60 H 0.8677 -0.3841 0.1864 0.080 Uiso 1 1 calc R U . . .
C61 C 0.7964(3) -0.2879(5) 0.1378(3) 0.0639(19) Uani 1 1 d . . . . .
H61 H 0.7609 -0.3295 0.1521 0.077 Uiso 1 1 calc R U . . .
C62 C 0.7833(3) -0.1934(4) 0.0962(3) 0.0507(16) Uani 1 1 d . . . . .
H62 H 0.7393 -0.1723 0.0825 0.061 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C15 2.001(6) . ?
Pt1 C12 2.036(5) . ?
Pt1 N1 2.140(4) . ?
Pt1 P1 2.3107(12) . ?
Pt2 C48 2.018(5) . ?
Pt2 N37 2.094(4) . ?
Pt2 P2 2.2293(13) . ?
Pt2 Cl1 2.3825(14) . ?
P1 C23 1.820(5) . ?
P1 C29 1.821(6) . ?
P1 C35 1.826(5) . ?
P2 C51 1.822(5) . ?
P2 C57 1.830(5) . ?
P2 C35 1.845(4) . ?
N1 C2 1.324(7) . ?
N1 C14 1.386(6) . ?
C2 C3 1.383(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.390(7) . ?
C4 H4 0.9300 . ?
C5 C14 1.393(7) . ?
C5 C6 1.433(7) . ?
C6 C7 1.342(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.420(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.363(8) . ?
C8 C13 1.424(7) . ?
C9 C10 1.353(8) . ?
C9 H9 0.9300 . ?
C10 C11 1.412(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.414(7) . ?
C13 C14 1.420(7) . ?
C15 C21 1.353(8) . ?
C15 C16 1.387(7) . ?
C16 C17 1.391(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.349(10) . ?
C17 H17 0.9300 . ?
C18 C22 1.382(9) . ?
C18 C19 1.517(9) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C21 C22 1.403(8) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.387(7) . ?
C23 C28 1.395(7) . ?
C24 C25 1.387(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.366(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.366(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(7) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C29 C34 1.364(6) . ?
C29 C30 1.399(7) . ?
C30 C31 1.386(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.370(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.366(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.388(8) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
N37 C38 1.322(6) . ?
N37 C50 1.369(6) . ?
C38 C39 1.393(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.353(7) . ?
C39 H39 0.9300 . ?
C40 C41 1.383(7) . ?
C40 H40 0.9300 . ?
C41 C50 1.409(7) . ?
C41 C42 1.412(7) . ?
C42 C43 1.346(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.430(7) . ?
C43 H43 0.9300 . ?
C44 C45 1.387(7) . ?
C44 C49 1.413(7) . ?
C45 C46 1.360(7) . ?
C45 H45 0.9300 . ?
C46 C47 1.401(7) . ?
C46 H46 0.9300 . ?
C47 C48 1.391(6) . ?
C47 H47 0.9300 . ?
C48 C49 1.425(6) . ?
C49 C50 1.423(7) . ?
C51 C52 1.380(7) . ?
C51 C56 1.388(6) . ?
C52 C53 1.365(8) . ?
C52 H52 0.9300 . ?
C53 C54 1.357(8) . ?
C53 H53 0.9300 . ?
C54 C55 1.348(8) . ?
C54 H54 0.9300 . ?
C55 C56 1.389(7) . ?
C55 H55 0.9300 . ?
C56 H56 0.9300 . ?
C57 C58 1.385(7) . ?
C57 C62 1.390(6) . ?
C58 C59 1.383(7) . ?
C58 H58 0.9300 . ?
C59 C60 1.374(8) . ?
C59 H59 0.9300 . ?
C60 C61 1.352(8) . ?
C60 H60 0.9300 . ?
C61 C62 1.382(7) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C15 Pt1 C12 89.8(2) . . ?
C15 Pt1 N1 170.33(17) . . ?
C12 Pt1 N1 80.6(2) . . ?
C15 Pt1 P1 91.15(13) . . ?
C12 Pt1 P1 177.14(15) . . ?
N1 Pt1 P1 98.48(12) . . ?
C48 Pt2 N37 80.90(19) . . ?
C48 Pt2 P2 95.45(14) . . ?
N37 Pt2 P2 176.33(13) . . ?
C48 Pt2 Cl1 167.57(14) . . ?
N37 Pt2 Cl1 88.68(13) . . ?
P2 Pt2 Cl1 94.99(5) . . ?
C23 P1 C29 107.1(2) . . ?
C23 P1 C35 106.7(2) . . ?
C29 P1 C35 104.6(2) . . ?
C23 P1 Pt1 109.38(15) . . ?
C29 P1 Pt1 115.86(17) . . ?
C35 P1 Pt1 112.62(14) . . ?
C51 P2 C57 98.0(2) . . ?
C51 P2 C35 106.9(2) . . ?
C57 P2 C35 103.6(2) . . ?
C51 P2 Pt2 119.67(16) . . ?
C57 P2 Pt2 114.51(17) . . ?
C35 P2 Pt2 112.20(16) . . ?
C2 N1 C14 117.5(5) . . ?
C2 N1 Pt1 130.6(4) . . ?
C14 N1 Pt1 111.9(4) . . ?
N1 C2 C3 123.3(6) . . ?
N1 C2 H2 118.4 . . ?
C3 C2 H2 118.4 . . ?
C4 C3 C2 119.6(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.3(6) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C14 118.5(5) . . ?
C4 C5 C6 123.7(6) . . ?
C14 C5 C6 117.7(6) . . ?
C7 C6 C5 120.0(6) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 124.2(6) . . ?
C6 C7 H7 117.9 . . ?
C8 C7 H7 117.9 . . ?
C9 C8 C7 124.7(6) . . ?
C9 C8 C13 118.7(6) . . ?
C7 C8 C13 116.6(6) . . ?
C10 C9 C8 119.8(5) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 122.3(6) . . ?
C9 C10 H10 118.9 . . ?
C11 C10 H10 118.9 . . ?
C12 C11 C10 120.7(6) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 116.1(5) . . ?
C11 C12 Pt1 130.9(4) . . ?
C13 C12 Pt1 113.0(4) . . ?
C12 C13 C14 118.4(5) . . ?
C12 C13 C8 122.4(5) . . ?
C14 C13 C8 119.2(5) . . ?
N1 C14 C5 121.7(5) . . ?
N1 C14 C13 116.0(5) . . ?
C5 C14 C13 122.2(5) . . ?
C21 C15 C16 116.4(6) . . ?
C21 C15 Pt1 122.8(4) . . ?
C16 C15 Pt1 120.7(5) . . ?
C15 C16 C17 121.6(7) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C18 C17 C16 121.5(7) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C22 117.9(7) . . ?
C17 C18 C19 120.7(9) . . ?
C22 C18 C19 121.3(8) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C21 C22 122.4(6) . . ?
C15 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C18 C22 C21 120.2(7) . . ?
C18 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C28 118.2(5) . . ?
C24 C23 P1 124.4(5) . . ?
C28 C23 P1 116.9(4) . . ?
C25 C24 C23 120.3(6) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C24 120.2(6) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 120.9(6) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C26 C27 C28 119.3(6) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
C27 C28 C23 121.0(6) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?
C34 C29 C30 118.6(5) . . ?
C34 C29 P1 125.0(4) . . ?
C30 C29 P1 116.4(4) . . ?
C31 C30 C29 120.7(6) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C32 C31 C30 119.1(7) . . ?
C32 C31 H31 120.4 . . ?
C30 C31 H31 120.4 . . ?
C33 C32 C31 120.8(7) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C32 C33 C34 119.9(6) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C29 C34 C33 120.8(6) . . ?
C29 C34 H34 119.6 . . ?
C33 C34 H34 119.6 . . ?
P1 C35 P2 126.9(2) . . ?
P1 C35 H35A 105.6 . . ?
P2 C35 H35A 105.6 . . ?
P1 C35 H35B 105.6 . . ?
P2 C35 H35B 105.6 . . ?
H35A C35 H35B 106.1 . . ?
C38 N37 C50 118.0(5) . . ?
C38 N37 Pt2 128.4(4) . . ?
C50 N37 Pt2 113.6(3) . . ?
N37 C38 C39 122.4(6) . . ?
N37 C38 H38 118.8 . . ?
C39 C38 H38 118.8 . . ?
C40 C39 C38 119.5(5) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 C41 120.8(6) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 H40 119.6 . . ?
C40 C41 C50 116.8(6) . . ?
C40 C41 C42 125.3(6) . . ?
C50 C41 C42 117.8(5) . . ?
C43 C42 C41 120.5(6) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C42 C43 C44 123.0(6) . . ?
C42 C43 H43 118.5 . . ?
C44 C43 H43 118.5 . . ?
C45 C44 C49 117.9(5) . . ?
C45 C44 C43 123.8(5) . . ?
C49 C44 C43 118.3(5) . . ?
C46 C45 C44 119.8(5) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C45 C46 C47 121.6(5) . . ?
C45 C46 H46 119.2 . . ?
C47 C46 H46 119.2 . . ?
C48 C47 C46 122.7(5) . . ?
C48 C47 H47 118.6 . . ?
C46 C47 H47 118.6 . . ?
C47 C48 C49 113.7(5) . . ?
C47 C48 Pt2 133.7(4) . . ?
C49 C48 Pt2 112.2(3) . . ?
C44 C49 C50 117.7(5) . . ?
C44 C49 C48 124.3(5) . . ?
C50 C49 C48 117.9(5) . . ?
N37 C50 C41 122.4(5) . . ?
N37 C50 C49 115.0(5) . . ?
C41 C50 C49 122.6(5) . . ?
C52 C51 C56 117.3(5) . . ?
C52 C51 P2 121.3(4) . . ?
C56 C51 P2 121.3(4) . . ?
C53 C52 C51 122.0(5) . . ?
C53 C52 H52 119.0 . . ?
C51 C52 H52 119.0 . . ?
C54 C53 C52 120.5(6) . . ?
C54 C53 H53 119.7 . . ?
C52 C53 H53 119.7 . . ?
C55 C54 C53 118.7(6) . . ?
C55 C54 H54 120.6 . . ?
C53 C54 H54 120.6 . . ?
C54 C55 C56 122.2(6) . . ?
C54 C55 H55 118.9 . . ?
C56 C55 H55 118.9 . . ?
C51 C56 C55 119.2(5) . . ?
C51 C56 H56 120.4 . . ?
C55 C56 H56 120.4 . . ?
C58 C57 C62 118.4(5) . . ?
C58 C57 P2 116.9(4) . . ?
C62 C57 P2 124.6(4) . . ?
C59 C58 C57 120.7(5) . . ?
C59 C58 H58 119.6 . . ?
C57 C58 H58 119.6 . . ?
C60 C59 C58 119.8(6) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C61 C60 C59 120.0(6) . . ?
C61 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
C60 C61 C62 121.2(6) . . ?
C60 C61 H61 119.4 . . ?
C62 C61 H61 119.4 . . ?
C61 C62 C57 119.9(5) . . ?
C61 C62 H62 120.1 . . ?
C57 C62 H62 120.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 N1 C2 C3 0.7(9) . . . . ?
Pt1 N1 C2 C3 -177.0(5) . . . . ?
N1 C2 C3 C4 1.4(10) . . . . ?
C2 C3 C4 C5 -2.6(10) . . . . ?
C3 C4 C5 C14 1.8(9) . . . . ?
C3 C4 C5 C6 -177.4(6) . . . . ?
C4 C5 C6 C7 177.9(6) . . . . ?
C14 C5 C6 C7 -1.3(9) . . . . ?
C5 C6 C7 C8 1.5(11) . . . . ?
C6 C7 C8 C9 -179.2(7) . . . . ?
C6 C7 C8 C13 0.0(10) . . . . ?
C7 C8 C9 C10 -178.9(6) . . . . ?
C13 C8 C9 C10 1.9(10) . . . . ?
C8 C9 C10 C11 -1.0(10) . . . . ?
C9 C10 C11 C12 0.2(10) . . . . ?
C10 C11 C12 C13 -0.4(8) . . . . ?
C10 C11 C12 Pt1 -179.9(5) . . . . ?
C11 C12 C13 C14 -178.4(5) . . . . ?
Pt1 C12 C13 C14 1.2(6) . . . . ?
C11 C12 C13 C8 1.3(8) . . . . ?
Pt1 C12 C13 C8 -179.1(4) . . . . ?
C9 C8 C13 C12 -2.1(9) . . . . ?
C7 C8 C13 C12 178.6(5) . . . . ?
C9 C8 C13 C14 177.6(5) . . . . ?
C7 C8 C13 C14 -1.6(8) . . . . ?
C2 N1 C14 C5 -1.5(8) . . . . ?
Pt1 N1 C14 C5 176.6(4) . . . . ?
C2 N1 C14 C13 178.4(5) . . . . ?
Pt1 N1 C14 C13 -3.5(6) . . . . ?
C4 C5 C14 N1 0.2(8) . . . . ?
C6 C5 C14 N1 179.5(5) . . . . ?
C4 C5 C14 C13 -179.6(5) . . . . ?
C6 C5 C14 C13 -0.3(8) . . . . ?
C12 C13 C14 N1 1.7(7) . . . . ?
C8 C13 C14 N1 -178.0(5) . . . . ?
C12 C13 C14 C5 -178.5(5) . . . . ?
C8 C13 C14 C5 1.8(8) . . . . ?
C21 C15 C16 C17 -0.3(8) . . . . ?
Pt1 C15 C16 C17 179.4(5) . . . . ?
C15 C16 C17 C18 -1.1(11) . . . . ?
C16 C17 C18 C22 2.2(12) . . . . ?
C16 C17 C18 C19 -175.6(6) . . . . ?
C16 C15 C21 C22 0.6(8) . . . . ?
Pt1 C15 C21 C22 -179.1(4) . . . . ?
C17 C18 C22 C21 -1.8(10) . . . . ?
C19 C18 C22 C21 175.9(6) . . . . ?
C15 C21 C22 C18 0.4(9) . . . . ?
C29 P1 C23 C24 23.9(5) . . . . ?
C35 P1 C23 C24 135.5(4) . . . . ?
Pt1 P1 C23 C24 -102.4(4) . . . . ?
C29 P1 C23 C28 -164.4(4) . . . . ?
C35 P1 C23 C28 -52.8(4) . . . . ?
Pt1 P1 C23 C28 69.3(4) . . . . ?
C28 C23 C24 C25 0.2(7) . . . . ?
P1 C23 C24 C25 171.8(4) . . . . ?
C23 C24 C25 C26 0.8(8) . . . . ?
C24 C25 C26 C27 -0.2(9) . . . . ?
C25 C26 C27 C28 -1.4(8) . . . . ?
C26 C27 C28 C23 2.4(7) . . . . ?
C24 C23 C28 C27 -1.8(7) . . . . ?
P1 C23 C28 C27 -174.0(4) . . . . ?
C23 P1 C29 C34 38.5(5) . . . . ?
C35 P1 C29 C34 -74.6(5) . . . . ?
Pt1 P1 C29 C34 160.8(4) . . . . ?
C23 P1 C29 C30 -144.0(4) . . . . ?
C35 P1 C29 C30 103.0(4) . . . . ?
Pt1 P1 C29 C30 -21.6(5) . . . . ?
C34 C29 C30 C31 0.4(9) . . . . ?
P1 C29 C30 C31 -177.3(5) . . . . ?
C29 C30 C31 C32 -0.9(10) . . . . ?
C30 C31 C32 C33 -0.1(11) . . . . ?
C31 C32 C33 C34 1.6(11) . . . . ?
C30 C29 C34 C33 1.1(8) . . . . ?
P1 C29 C34 C33 178.6(4) . . . . ?
C32 C33 C34 C29 -2.1(10) . . . . ?
C23 P1 C35 P2 -48.0(4) . . . . ?
C29 P1 C35 P2 65.3(4) . . . . ?
Pt1 P1 C35 P2 -168.0(3) . . . . ?
C51 P2 C35 P1 -75.2(4) . . . . ?
C57 P2 C35 P1 -178.1(3) . . . . ?
Pt2 P2 C35 P1 57.9(4) . . . . ?
C50 N37 C38 C39 -2.7(7) . . . . ?
Pt2 N37 C38 C39 177.2(4) . . . . ?
N37 C38 C39 C40 0.5(8) . . . . ?
C38 C39 C40 C41 1.0(9) . . . . ?
C39 C40 C41 C50 -0.2(8) . . . . ?
C39 C40 C41 C42 178.6(5) . . . . ?
C40 C41 C42 C43 -178.4(6) . . . . ?
C50 C41 C42 C43 0.3(8) . . . . ?
C41 C42 C43 C44 0.7(9) . . . . ?
C42 C43 C44 C45 179.1(6) . . . . ?
C42 C43 C44 C49 -1.4(8) . . . . ?
C49 C44 C45 C46 -0.3(8) . . . . ?
C43 C44 C45 C46 179.2(5) . . . . ?
C44 C45 C46 C47 0.2(8) . . . . ?
C45 C46 C47 C48 0.9(8) . . . . ?
C46 C47 C48 C49 -1.7(7) . . . . ?
C46 C47 C48 Pt2 -173.9(4) . . . . ?
C45 C44 C49 C50 -179.5(4) . . . . ?
C43 C44 C49 C50 1.0(7) . . . . ?
C45 C44 C49 C48 -0.7(7) . . . . ?
C43 C44 C49 C48 179.7(5) . . . . ?
C47 C48 C49 C44 1.7(7) . . . . ?
Pt2 C48 C49 C44 175.6(4) . . . . ?
C47 C48 C49 C50 -179.6(4) . . . . ?
Pt2 C48 C49 C50 -5.7(5) . . . . ?
C38 N37 C50 C41 3.6(7) . . . . ?
Pt2 N37 C50 C41 -176.3(4) . . . . ?
C38 N37 C50 C49 -176.7(4) . . . . ?
Pt2 N37 C50 C49 3.4(5) . . . . ?
C40 C41 C50 N37 -2.2(7) . . . . ?
C42 C41 C50 N37 179.0(5) . . . . ?
C40 C41 C50 C49 178.2(5) . . . . ?
C42 C41 C50 C49 -0.7(8) . . . . ?
C44 C49 C50 N37 -179.7(4) . . . . ?
C48 C49 C50 N37 1.5(6) . . . . ?
C44 C49 C50 C41 0.0(7) . . . . ?
C48 C49 C50 C41 -178.8(4) . . . . ?
C57 P2 C51 C52 76.6(5) . . . . ?
C35 P2 C51 C52 -30.4(5) . . . . ?
Pt2 P2 C51 C52 -159.2(4) . . . . ?
C57 P2 C51 C56 -98.2(4) . . . . ?
C35 P2 C51 C56 154.9(4) . . . . ?
Pt2 P2 C51 C56 26.0(5) . . . . ?
C56 C51 C52 C53 -1.7(9) . . . . ?
P2 C51 C52 C53 -176.7(5) . . . . ?
C51 C52 C53 C54 0.5(10) . . . . ?
C52 C53 C54 C55 0.3(10) . . . . ?
C53 C54 C55 C56 0.2(10) . . . . ?
C52 C51 C56 C55 2.2(8) . . . . ?
P2 C51 C56 C55 177.1(4) . . . . ?
C54 C55 C56 C51 -1.5(9) . . . . ?
C51 P2 C57 C58 83.1(4) . . . . ?
C35 P2 C57 C58 -167.3(4) . . . . ?
Pt2 P2 C57 C58 -44.8(4) . . . . ?
C51 P2 C57 C62 -95.0(5) . . . . ?
C35 P2 C57 C62 14.6(5) . . . . ?
Pt2 P2 C57 C62 137.1(4) . . . . ?
C62 C57 C58 C59 -1.5(8) . . . . ?
P2 C57 C58 C59 -179.7(5) . . . . ?
C57 C58 C59 C60 0.0(9) . . . . ?
C58 C59 C60 C61 1.2(10) . . . . ?
C59 C60 C61 C62 -0.9(10) . . . . ?
C60 C61 C62 C57 -0.6(9) . . . . ?
C58 C57 C62 C61 1.7(8) . . . . ?
P2 C57 C62 C61 179.8(4) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C34 H34 Cl1 0.93 2.84 3.760(6) 170.2 .
C38 H38 Cl1 0.93 2.59 3.177(6) 121.4 .
C56 H56 Cl1 0.93 2.71 3.217(5) 114.9 .

_refine_diff_density_max         1.017
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.110

_shelxl_version_number           2013-4

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

data_5c
_database_code_depnum_ccdc_archive 'CCDC 1540275'
_audit_update_record             
;
2017-03-26 deposited with the CCDC.
2017-10-04 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         'C117 H90 Cl2 F6 N4 O4 P4 Pt4'
_chemical_formula_sum            'C117 H90 Cl2 F6 N4 O4 P4 Pt4'
_chemical_formula_weight         2705.06

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'
O O 0.0492 0.0322 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   33.7250(2)
_cell_length_b                   11.08820(10)
_cell_length_c                   26.5368(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.9670(10)
_cell_angle_gamma                90
_cell_volume                     9910.12(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    130(1)
_cell_measurement_reflns_used    74581
_cell_measurement_theta_min      2.6217
_cell_measurement_theta_max      73.7367

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_F_000             5248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    11.991
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.37887
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      130(1)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_detector_area_resol_mean 10.5357
_diffrn_measurement_method       '/w scan'
_diffrn_reflns_number            9968
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.624
_diffrn_reflns_theta_max         73.893
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9968
_reflns_number_gt                9957
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 _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       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies (2011))'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies (2011))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'Mercury (MacRae et al., 2009)'
_computing_publication_material  'SHELXL (Sheldrick, 2015)'

_refine_special_details          'Refined as a 2-component twin., Twin'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0912P)²+37.2297P] 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         9968
_refine_ls_number_parameters     665
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.1361
_refine_ls_wR_factor_gt          0.1361
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_restrained_S_all      1.299
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.03970(2) 0.19265(2) 0.54287(2) 0.01457(9) Uani 1 1 d . . . . .
N2 N 0.05107(14) 0.3138(4) 0.48140(17) 0.0232(9) Uani 1 1 d . . . . .
C3 C 0.08523(19) 0.3397(6) 0.4608(2) 0.0338(13) Uani 1 1 d . . . . .
H3B H 0.1089 0.3030 0.4743 0.041 Uiso 1 1 calc R U . . .
C4 C 0.0875(2) 0.4179(7) 0.4204(3) 0.0461(17) Uani 1 1 d . . . . .
H4B H 0.1125 0.4351 0.4070 0.055 Uiso 1 1 calc R U . . .
C5 C 0.0535(2) 0.4708(6) 0.3998(3) 0.0476(19) Uani 1 1 d . . . . .
H5B H 0.0546 0.5229 0.3715 0.057 Uiso 1 1 calc R U . . .
C6 C 0.0174(2) 0.4469(5) 0.4211(2) 0.0367(15) Uani 1 1 d . . . . .
C7 C -0.0203(3) 0.4995(6) 0.4039(3) 0.052(2) Uani 1 1 d . . . . .
H7B H -0.0209 0.5557 0.3769 0.063 Uiso 1 1 calc R U . . .
C8 C -0.0542(2) 0.4707(6) 0.4253(3) 0.0446(18) Uani 1 1 d . . . . .
H8B H -0.0784 0.5059 0.4127 0.054 Uiso 1 1 calc R U . . .
C9 C -0.0545(2) 0.3884(6) 0.4665(3) 0.0376(15) Uani 1 1 d . . . . .
C10 C -0.08988(19) 0.3544(7) 0.4896(3) 0.0468(19) Uani 1 1 d . . . . .
H10C H -0.1146 0.3868 0.4773 0.056 Uiso 1 1 calc R U . . .
C11 C -0.0888(2) 0.2751(7) 0.5296(3) 0.0446(17) Uani 1 1 d . . . . .
H11B H -0.1126 0.2539 0.5453 0.053 Uiso 1 1 calc R U . . .
C12 C -0.05192(16) 0.2254(6) 0.5471(2) 0.0314(12) Uani 1 1 d . . . . .
H12A H -0.0515 0.1712 0.5749 0.038 Uiso 1 1 calc R U . . .
C13 C -0.01659(16) 0.2523(5) 0.5256(2) 0.0265(11) Uani 1 1 d . . . . .
C14 C -0.01909(17) 0.3365(5) 0.4853(2) 0.0284(12) Uani 1 1 d . . . . .
C15 C 0.01728(19) 0.3668(5) 0.4619(2) 0.0289(13) Uani 1 1 d . . . . .
C16 C 0.01902(14) 0.0842(5) 0.59620(19) 0.0195(10) Uani 1 1 d . . . . .
C17 C 0.00852(16) -0.0355(5) 0.5846(2) 0.0238(10) Uani 1 1 d . . . . .
H17B H 0.0142 -0.0685 0.5527 0.029 Uiso 1 1 calc R U . . .
C18 C -0.01017(19) -0.1060(6) 0.6197(3) 0.0353(13) Uani 1 1 d . . . . .
H18B H -0.0170 -0.1869 0.6113 0.042 Uiso 1 1 calc R U . . .
C19 C -0.0192(2) -0.0617(7) 0.6667(2) 0.0415(16) Uani 1 1 d . . . . .
C20 C -0.0424(3) -0.1387(9) 0.7038(3) 0.064(3) Uani 1 1 d . . . . .
H20B H -0.0476 -0.2187 0.6892 0.096 Uiso 1 1 calc R U . . .
H20C H -0.0267 -0.1470 0.7357 0.096 Uiso 1 1 calc R U . . .
H20D H -0.0677 -0.0990 0.7100 0.096 Uiso 1 1 calc R U . . .
C21 C -0.00820(18) 0.0541(7) 0.6781(2) 0.0357(14) Uani 1 1 d . . . . .
H21B H -0.0134 0.0858 0.7103 0.043 Uiso 1 1 calc R U . . .
C22 C 0.01021(18) 0.1260(5) 0.6442(2) 0.0293(12) Uani 1 1 d . . . . .
H22B H 0.0171 0.2063 0.6535 0.035 Uiso 1 1 calc R U . . .
P23 P 0.10395(3) 0.13301(10) 0.56139(4) 0.0125(2) Uani 1 1 d . . . . .
C24 C 0.12818(14) 0.0818(4) 0.50518(17) 0.0173(9) Uani 1 1 d . . . . .
C25 C 0.10194(17) 0.0492(6) 0.4653(2) 0.0298(12) Uani 1 1 d . . . . .
H25B H 0.0741 0.0532 0.4690 0.036 Uiso 1 1 calc R U . . .
C26 C 0.11654(19) 0.0106(7) 0.4199(2) 0.0406(16) Uani 1 1 d . . . . .
H26B H 0.0987 -0.0132 0.3929 0.049 Uiso 1 1 calc R U . . .
C27 C 0.1573(2) 0.0071(8) 0.4143(3) 0.0448(17) Uani 1 1 d . . . . .
H27B H 0.1672 -0.0178 0.3831 0.054 Uiso 1 1 calc R U . . .
C28 C 0.18361(16) 0.0400(6) 0.4542(2) 0.0301(12) Uani 1 1 d . . . . .
H28A H 0.2114 0.0374 0.4502 0.036 Uiso 1 1 calc R U . . .
C29 C 0.16926(15) 0.0764(5) 0.49950(19) 0.0217(10) Uani 1 1 d . . . . .
H29A H 0.1872 0.0978 0.5268 0.026 Uiso 1 1 calc R U . . .
C30 C 0.13025(14) 0.2623(4) 0.58907(17) 0.0169(9) Uani 1 1 d . . . . .
C31 C 0.15860(16) 0.3291(5) 0.5642(2) 0.0240(10) Uani 1 1 d . . . . .
H31A H 0.1684 0.3001 0.5336 0.029 Uiso 1 1 calc R U . . .
C32 C 0.17244(17) 0.4381(5) 0.5844(2) 0.0272(11) Uani 1 1 d . . . . .
H32B H 0.1914 0.4838 0.5673 0.033 Uiso 1 1 calc R U . . .
C33 C 0.15831(16) 0.4806(5) 0.6303(2) 0.0274(12) Uani 1 1 d . . . . .
H33B H 0.1676 0.5551 0.6441 0.033 Uiso 1 1 calc R U . . .
C34 C 0.13095(17) 0.4134(5) 0.6548(2) 0.0258(11) Uani 1 1 d . . . . .
H34A H 0.1218 0.4412 0.6860 0.031 Uiso 1 1 calc R U . . .
C35 C 0.11661(17) 0.3063(5) 0.6348(2) 0.0221(10) Uani 1 1 d . . . . .
H35B H 0.0974 0.2619 0.6519 0.027 Uiso 1 1 calc R U . . .
C36 C 0.10995(13) 0.0091(4) 0.60811(17) 0.0167(9) Uani 1 1 d . . . . .
H36B H 0.0871 -0.0374 0.6146 0.020 Uiso 1 1 calc R U . . .
P37 P 0.15657(3) -0.03033(10) 0.64272(4) 0.0123(2) Uani 1 1 d . . . . .
C38 C 0.14069(15) -0.1428(4) 0.68799(19) 0.0171(9) Uani 1 1 d . . . . .
C39 C 0.10696(15) -0.2141(5) 0.6786(2) 0.0218(10) Uani 1 1 d . . . . .
H39B H 0.0896 -0.1989 0.6499 0.026 Uiso 1 1 calc R U . . .
C40 C 0.09894(18) -0.3069(5) 0.7113(2) 0.0285(12) Uani 1 1 d . . . . .
H40B H 0.0762 -0.3562 0.7047 0.034 Uiso 1 1 calc R U . . .
C41 C 0.12361(19) -0.3288(5) 0.7537(2) 0.0320(13) Uani 1 1 d . . . . .
H41B H 0.1175 -0.3920 0.7762 0.038 Uiso 1 1 calc R U . . .
C42 C 0.15721(19) -0.2586(6) 0.7632(2) 0.0319(13) Uani 1 1 d . . . . .
H42B H 0.1743 -0.2739 0.7921 0.038 Uiso 1 1 calc R U . . .
C43 C 0.16572(17) -0.1664(5) 0.7306(2) 0.0262(11) Uani 1 1 d . . . . .
H43A H 0.1888 -0.1186 0.7370 0.031 Uiso 1 1 calc R U . . .
C44 C 0.18571(15) -0.1305(4) 0.60452(19) 0.0175(9) Uani 1 1 d . . . . .
C45 C 0.17168(16) -0.1829(5) 0.5589(2) 0.0229(10) Uani 1 1 d . . . . .
H45B H 0.1460 -0.1634 0.5449 0.028 Uiso 1 1 calc R U . . .
C46 C 0.19522(18) -0.2623(5) 0.5347(2) 0.0284(12) Uani 1 1 d . . . . .
H46B H 0.1860 -0.2961 0.5034 0.034 Uiso 1 1 calc R U . . .
C47 C 0.23184(18) -0.2941(5) 0.5549(2) 0.0304(13) Uani 1 1 d . . . . .
H47B H 0.2474 -0.3515 0.5381 0.036 Uiso 1 1 calc R U . . .
C48 C 0.24643(16) -0.2429(5) 0.5997(2) 0.0280(12) Uani 1 1 d . . . . .
H48B H 0.2722 -0.2636 0.6131 0.034 Uiso 1 1 calc R U . . .
C49 C 0.22346(15) -0.1619(5) 0.6247(2) 0.0209(10) Uani 1 1 d . . . . .
H49B H 0.2333 -0.1274 0.6557 0.025 Uiso 1 1 calc R U . . .
Pt50 Pt 0.19146(2) 0.13076(2) 0.66965(2) 0.01282(9) Uani 1 1 d . . . . .
N51 N 0.22018(12) 0.2908(4) 0.69113(16) 0.0182(8) Uani 1 1 d . . . . .
C52 C 0.24589(16) 0.3507(5) 0.6632(2) 0.0257(11) Uani 1 1 d . . . . .
H52A H 0.2551 0.3133 0.6338 0.031 Uiso 1 1 calc R U . . .
C53 C 0.25929(18) 0.4654(5) 0.6760(2) 0.0315(12) Uani 1 1 d . . . . .
H53A H 0.2772 0.5062 0.6554 0.038 Uiso 1 1 calc R U . . .
C54 C 0.24645(17) 0.5198(5) 0.7189(2) 0.0307(12) Uani 1 1 d . . . . .
H54D H 0.2554 0.5983 0.7283 0.037 Uiso 1 1 calc R U . . .
C55 C 0.22021(17) 0.4582(5) 0.7481(2) 0.0277(12) Uani 1 1 d . . . . .
H55A H 0.2114 0.4933 0.7782 0.033 Uiso 1 1 calc R U . . .
C56 C 0.20682(15) 0.3436(5) 0.73280(18) 0.0189(9) Uani 1 1 d . . . . .
C57 C 0.17603(16) 0.2746(5) 0.75735(19) 0.0210(10) Uani 1 1 d . . . . .
C58 C 0.16156(15) 0.1696(5) 0.73124(17) 0.0167(9) Uani 1 1 d . . . . .
C59 C 0.12919(17) 0.1104(5) 0.75057(19) 0.0223(10) Uani 1 1 d . . . . .
H59A H 0.1184 0.0412 0.7338 0.027 Uiso 1 1 calc R U . . .
C60 C 0.11242(18) 0.1523(6) 0.7948(2) 0.0300(12) Uani 1 1 d . . . . .
H60A H 0.0900 0.1123 0.8071 0.036 Uiso 1 1 calc R U . . .
C61 C 0.1281(2) 0.2499(6) 0.8203(2) 0.0356(14) Uani 1 1 d . . . . .
H61B H 0.1172 0.2753 0.8509 0.043 Uiso 1 1 calc R U . . .
C62 C 0.15948(19) 0.3112(5) 0.8019(2) 0.0290(12) Uani 1 1 d . . . . .
H62A H 0.1701 0.3793 0.8197 0.035 Uiso 1 1 calc R U . . .
O63 O 0.22703(10) 0.1138(3) 0.60516(12) 0.0174(7) Uani 1 1 d . . . . .
O64 O 0.28576(12) 0.0800(4) 0.64737(15) 0.0305(9) Uani 1 1 d . . . . .
C65 C 0.26404(15) 0.0923(5) 0.60989(19) 0.0214(10) Uani 1 1 d . . . . .
C66 C 0.28394(13) 0.0808(4) 0.55863(17) 0.0418(14) Uani 1 1 d D U . . .
F67 F 0.26171(19) 0.0662(11) 0.5186(2) 0.083(4) Uani 0.599(11) 1 d D U P A 1
F68 F 0.3091(2) 0.1691(6) 0.5544(3) 0.058(3) Uani 0.599(11) 1 d D U P A 1
F69 F 0.3083(2) -0.0139(6) 0.5615(3) 0.063(2) Uani 0.599(11) 1 d D U P A 1
F67' F 0.2737(4) 0.1792(7) 0.5327(4) 0.070(4) Uani 0.401(11) 1 d D U P A 2
F68' F 0.32164(16) 0.0684(15) 0.5567(4) 0.090(5) Uani 0.401(11) 1 d D U P A 2
F69' F 0.2660(3) -0.0036(8) 0.5313(4) 0.044(3) Uani 0.401(11) 1 d D U P A 2
C1A C 0.0000 0.4873(13) 0.7500 0.070(4) Uani 1 2 d S T P . .
H1A1 H -0.0016 0.5397 0.7800 0.084 Uiso 0.5 1 calc R U P . .
H1A2 H 0.0016 0.5397 0.7200 0.084 Uiso 0.5 1 calc R U P . .
Cl1A Cl 0.04306(7) 0.3973(3) 0.75654(10) 0.0687(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C16 2.010(5) . ?
Pt1 C13 2.040(5) . ?
Pt1 N2 2.162(4) . ?
Pt1 P23 2.2943(11) . ?
N2 C3 1.332(8) . ?
N2 C15 1.361(7) . ?
C3 C4 1.384(8) . ?
C3 H3B 0.9500 . ?
C4 C5 1.378(10) . ?
C4 H4B 0.9500 . ?
C5 C6 1.394(11) . ?
C5 H5B 0.9500 . ?
C6 C15 1.400(8) . ?
C6 C7 1.448(10) . ?
C7 C8 1.341(13) . ?
C7 H7B 0.9500 . ?
C8 C9 1.425(10) . ?
C8 H8B 0.9500 . ?
C9 C14 1.395(8) . ?
C9 C10 1.420(11) . ?
C10 C11 1.377(12) . ?
C10 H10C 0.9500 . ?
C11 C12 1.418(8) . ?
C11 H11B 0.9500 . ?
C12 C13 1.380(9) . ?
C12 H12A 0.9500 . ?
C13 C14 1.419(9) . ?
C14 C15 1.443(9) . ?
C16 C22 1.401(7) . ?
C16 C17 1.404(8) . ?
C17 C18 1.392(8) . ?
C17 H17B 0.9500 . ?
C18 C19 1.388(10) . ?
C18 H18B 0.9500 . ?
C19 C21 1.366(11) . ?
C19 C20 1.548(9) . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 H20D 0.9800 . ?
C21 C22 1.375(9) . ?
C21 H21B 0.9500 . ?
C22 H22B 0.9500 . ?
P23 C30 1.820(5) . ?
P23 C24 1.828(5) . ?
P23 C36 1.855(5) . ?
C24 C25 1.392(7) . ?
C24 C29 1.403(7) . ?
C25 C26 1.390(8) . ?
C25 H25B 0.9500 . ?
C26 C27 1.391(9) . ?
C26 H26B 0.9500 . ?
C27 C28 1.395(9) . ?
C27 H27B 0.9500 . ?
C28 C29 1.379(7) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C31 1.401(7) . ?
C30 C35 1.406(7) . ?
C31 C32 1.392(8) . ?
C31 H31A 0.9500 . ?
C32 C33 1.411(9) . ?
C32 H32B 0.9500 . ?
C33 C34 1.376(9) . ?
C33 H33B 0.9500 . ?
C34 C35 1.379(8) . ?
C34 H34A 0.9500 . ?
C35 H35B 0.9500 . ?
C36 P37 1.832(5) . ?
C36 H36B 0.9500 . ?
P37 C44 1.824(5) . ?
P37 C38 1.831(5) . ?
P37 Pt50 2.2357(11) . ?
C38 C39 1.397(7) . ?
C38 C43 1.400(7) . ?
C39 C40 1.382(7) . ?
C39 H39B 0.9500 . ?
C40 C41 1.385(9) . ?
C40 H40B 0.9500 . ?
C41 C42 1.387(9) . ?
C41 H41B 0.9500 . ?
C42 C43 1.379(8) . ?
C42 H42B 0.9500 . ?
C43 H43A 0.9500 . ?
C44 C49 1.399(7) . ?
C44 C45 1.403(7) . ?
C45 C46 1.367(8) . ?
C45 H45B 0.9500 . ?
C46 C47 1.366(9) . ?
C46 H46B 0.9500 . ?
C47 C48 1.383(9) . ?
C47 H47B 0.9500 . ?
C48 C49 1.380(8) . ?
C48 H48B 0.9500 . ?
C49 H49B 0.9500 . ?
Pt50 C58 2.011(5) . ?
Pt50 N51 2.087(4) . ?
Pt50 O63 2.148(3) . ?
N51 C52 1.345(7) . ?
N51 C56 1.349(7) . ?
C52 C53 1.386(8) . ?
C52 H52A 0.9500 . ?
C53 C54 1.377(9) . ?
C53 H53A 0.9500 . ?
C54 C55 1.386(9) . ?
C54 H54D 0.9500 . ?
C55 C56 1.402(8) . ?
C55 H55A 0.9500 . ?
C56 C57 1.469(8) . ?
C57 C62 1.395(8) . ?
C57 C58 1.428(7) . ?
C58 C59 1.394(7) . ?
C59 C60 1.409(7) . ?
C59 H59A 0.9500 . ?
C60 C61 1.369(10) . ?
C60 H60A 0.9500 . ?
C61 C62 1.368(9) . ?
C61 H61B 0.9500 . ?
C62 H62A 0.9500 . ?
O63 C65 1.271(6) . ?
O64 C65 1.212(7) . ?
C65 C66 1.553(6) . ?
C66 F67 1.279(4) . ?
C66 F68' 1.282(4) . ?
C66 F68 1.305(4) . ?
C66 F69' 1.311(4) . ?
C66 F67' 1.326(4) . ?
C66 F69 1.333(4) . ?
C1A Cl1A 1.763(9) 2_556 ?
C1A Cl1A 1.763(9) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 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
C16 Pt1 C13 90.0(2) . . ?
C16 Pt1 N2 169.91(18) . . ?
C13 Pt1 N2 80.1(2) . . ?
C16 Pt1 P23 92.01(14) . . ?
C13 Pt1 P23 177.70(17) . . ?
N2 Pt1 P23 97.94(13) . . ?
C3 N2 C15 118.4(5) . . ?
C3 N2 Pt1 129.4(4) . . ?
C15 N2 Pt1 112.2(4) . . ?
N2 C3 C4 122.5(6) . . ?
N2 C3 H3B 118.8 . . ?
C4 C3 H3B 118.8 . . ?
C5 C4 C3 119.7(7) . . ?
C5 C4 H4B 120.1 . . ?
C3 C4 H4B 120.1 . . ?
C4 C5 C6 119.1(6) . . ?
C4 C5 H5B 120.5 . . ?
C6 C5 H5B 120.5 . . ?
C5 C6 C15 118.1(6) . . ?
C5 C6 C7 124.4(6) . . ?
C15 C6 C7 117.5(7) . . ?
C8 C7 C6 121.6(6) . . ?
C8 C7 H7B 119.2 . . ?
C6 C7 H7B 119.2 . . ?
C7 C8 C9 121.2(6) . . ?
C7 C8 H8B 119.4 . . ?
C9 C8 H8B 119.4 . . ?
C14 C9 C10 117.3(6) . . ?
C14 C9 C8 119.8(7) . . ?
C10 C9 C8 122.8(6) . . ?
C11 C10 C9 120.9(6) . . ?
C11 C10 H10C 119.5 . . ?
C9 C10 H10C 119.5 . . ?
C10 C11 C12 119.2(7) . . ?
C10 C11 H11B 120.4 . . ?
C12 C11 H11B 120.4 . . ?
C13 C12 C11 122.9(7) . . ?
C13 C12 H12A 118.6 . . ?
C11 C12 H12A 118.6 . . ?
C12 C13 C14 115.8(5) . . ?
C12 C13 Pt1 130.6(5) . . ?
C14 C13 Pt1 113.6(4) . . ?
C9 C14 C13 123.9(6) . . ?
C9 C14 C15 118.8(6) . . ?
C13 C14 C15 117.4(5) . . ?
N2 C15 C6 122.2(6) . . ?
N2 C15 C14 116.7(5) . . ?
C6 C15 C14 121.1(6) . . ?
C22 C16 C17 116.8(5) . . ?
C22 C16 Pt1 122.6(4) . . ?
C17 C16 Pt1 120.2(4) . . ?
C18 C17 C16 120.1(5) . . ?
C18 C17 H17B 120.0 . . ?
C16 C17 H17B 120.0 . . ?
C19 C18 C17 122.0(6) . . ?
C19 C18 H18B 119.0 . . ?
C17 C18 H18B 119.0 . . ?
C21 C19 C18 117.6(6) . . ?
C21 C19 C20 121.2(7) . . ?
C18 C19 C20 121.2(7) . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C20 H20D 109.5 . . ?
H20B C20 H20D 109.5 . . ?
H20C C20 H20D 109.5 . . ?
C19 C21 C22 121.7(6) . . ?
C19 C21 H21B 119.1 . . ?
C22 C21 H21B 119.1 . . ?
C21 C22 C16 121.8(6) . . ?
C21 C22 H22B 119.1 . . ?
C16 C22 H22B 119.1 . . ?
C30 P23 C24 110.2(2) . . ?
C30 P23 C36 106.2(2) . . ?
C24 P23 C36 106.1(2) . . ?
C30 P23 Pt1 107.13(15) . . ?
C24 P23 Pt1 111.83(16) . . ?
C36 P23 Pt1 115.21(15) . . ?
C25 C24 C29 120.0(5) . . ?
C25 C24 P23 114.1(4) . . ?
C29 C24 P23 125.9(4) . . ?
C26 C25 C24 119.9(5) . . ?
C26 C25 H25B 120.0 . . ?
C24 C25 H25B 120.0 . . ?
C25 C26 C27 119.9(6) . . ?
C25 C26 H26B 120.1 . . ?
C27 C26 H26B 120.1 . . ?
C26 C27 C28 120.2(5) . . ?
C26 C27 H27B 119.9 . . ?
C28 C27 H27B 119.9 . . ?
C29 C28 C27 120.0(5) . . ?
C29 C28 H28A 120.0 . . ?
C27 C28 H28A 120.0 . . ?
C28 C29 C24 120.0(5) . . ?
C28 C29 H29A 120.0 . . ?
C24 C29 H29A 120.0 . . ?
C31 C30 C35 118.9(5) . . ?
C31 C30 P23 123.8(4) . . ?
C35 C30 P23 116.5(4) . . ?
C32 C31 C30 120.1(5) . . ?
C32 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C31 C32 C33 120.1(5) . . ?
C31 C32 H32B 120.0 . . ?
C33 C32 H32B 120.0 . . ?
C34 C33 C32 119.5(5) . . ?
C34 C33 H33B 120.3 . . ?
C32 C33 H33B 120.3 . . ?
C33 C34 C35 120.9(5) . . ?
C33 C34 H34A 119.5 . . ?
C35 C34 H34A 119.5 . . ?
C34 C35 C30 120.5(5) . . ?
C34 C35 H35B 119.7 . . ?
C30 C35 H35B 119.7 . . ?
P37 C36 P23 125.0(3) . . ?
P37 C36 H36B 117.5 . . ?
P23 C36 H36B 117.5 . . ?
C44 P37 C38 97.7(2) . . ?
C44 P37 C36 109.9(2) . . ?
C38 P37 C36 102.6(2) . . ?
C44 P37 Pt50 111.97(16) . . ?
C38 P37 Pt50 120.10(17) . . ?
C36 P37 Pt50 113.16(16) . . ?
C39 C38 C43 119.3(5) . . ?
C39 C38 P37 122.1(4) . . ?
C43 C38 P37 118.2(4) . . ?
C40 C39 C38 119.6(5) . . ?
C40 C39 H39B 120.2 . . ?
C38 C39 H39B 120.2 . . ?
C39 C40 C41 120.8(6) . . ?
C39 C40 H40B 119.6 . . ?
C41 C40 H40B 119.6 . . ?
C40 C41 C42 120.0(5) . . ?
C40 C41 H41B 120.0 . . ?
C42 C41 H41B 120.0 . . ?
C43 C42 C41 119.7(5) . . ?
C43 C42 H42B 120.1 . . ?
C41 C42 H42B 120.1 . . ?
C42 C43 C38 120.6(5) . . ?
C42 C43 H43A 119.7 . . ?
C38 C43 H43A 119.7 . . ?
C49 C44 C45 119.1(5) . . ?
C49 C44 P37 116.4(4) . . ?
C45 C44 P37 124.4(4) . . ?
C46 C45 C44 119.6(5) . . ?
C46 C45 H45B 120.2 . . ?
C44 C45 H45B 120.2 . . ?
C47 C46 C45 121.2(5) . . ?
C47 C46 H46B 119.4 . . ?
C45 C46 H46B 119.4 . . ?
C46 C47 C48 120.3(5) . . ?
C46 C47 H47B 119.8 . . ?
C48 C47 H47B 119.8 . . ?
C49 C48 C47 119.8(5) . . ?
C49 C48 H48B 120.1 . . ?
C47 C48 H48B 120.1 . . ?
C48 C49 C44 120.0(5) . . ?
C48 C49 H49B 120.0 . . ?
C44 C49 H49B 120.0 . . ?
C58 Pt50 N51 80.86(19) . . ?
C58 Pt50 O63 172.02(17) . . ?
N51 Pt50 O63 91.25(15) . . ?
C58 Pt50 P37 98.81(15) . . ?
N51 Pt50 P37 174.75(11) . . ?
O63 Pt50 P37 88.94(9) . . ?
C52 N51 C56 119.3(5) . . ?
C52 N51 Pt50 124.9(4) . . ?
C56 N51 Pt50 115.0(3) . . ?
N51 C52 C53 122.0(6) . . ?
N51 C52 H52A 119.0 . . ?
C53 C52 H52A 119.0 . . ?
C54 C53 C52 119.5(6) . . ?
C54 C53 H53A 120.3 . . ?
C52 C53 H53A 120.3 . . ?
C53 C54 C55 118.9(5) . . ?
C53 C54 H54D 120.6 . . ?
C55 C54 H54D 120.6 . . ?
C54 C55 C56 119.4(5) . . ?
C54 C55 H55A 120.3 . . ?
C56 C55 H55A 120.3 . . ?
N51 C56 C55 120.9(5) . . ?
N51 C56 C57 114.3(4) . . ?
C55 C56 C57 124.6(5) . . ?
C62 C57 C58 120.5(5) . . ?
C62 C57 C56 123.3(5) . . ?
C58 C57 C56 116.2(4) . . ?
C59 C58 C57 117.4(4) . . ?
C59 C58 Pt50 129.3(4) . . ?
C57 C58 Pt50 113.3(4) . . ?
C58 C59 C60 120.5(5) . . ?
C58 C59 H59A 119.8 . . ?
C60 C59 H59A 119.8 . . ?
C61 C60 C59 120.7(6) . . ?
C61 C60 H60A 119.6 . . ?
C59 C60 H60A 119.6 . . ?
C62 C61 C60 120.2(5) . . ?
C62 C61 H61B 119.9 . . ?
C60 C61 H61B 119.9 . . ?
C61 C62 C57 120.6(5) . . ?
C61 C62 H62A 119.7 . . ?
C57 C62 H62A 119.7 . . ?
C65 O63 Pt50 121.6(3) . . ?
O64 C65 O63 130.6(5) . . ?
O64 C65 C66 116.1(5) . . ?
O63 C65 C66 113.3(4) . . ?
F67 C66 F68 112.4(6) . . ?
F68' C66 F69' 109.3(6) . . ?
F68' C66 F67' 107.4(6) . . ?
F69' C66 F67' 101.6(5) . . ?
F67 C66 F69 106.4(5) . . ?
F68 C66 F69 101.1(4) . . ?
F67 C66 C65 118.5(5) . . ?
F68' C66 C65 121.1(6) . . ?
F68 C66 C65 109.0(4) . . ?
F69' C66 C65 109.6(6) . . ?
F67' C66 C65 105.9(5) . . ?
F69 C66 C65 108.0(5) . . ?
Cl1A C1A Cl1A 111.1(8) 2_556 . ?
Cl1A C1A H1A1 109.4 2_556 . ?
Cl1A C1A H1A1 109.4 . . ?
Cl1A C1A H1A2 109.4 2_556 . ?
Cl1A C1A H1A2 109.4 . . ?
H1A1 C1A H1A2 108.0 . . ?

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
C15 N2 C3 C4 -0.1(10) . . . . ?
Pt1 N2 C3 C4 178.5(5) . . . . ?
N2 C3 C4 C5 -0.8(12) . . . . ?
C3 C4 C5 C6 1.8(12) . . . . ?
C4 C5 C6 C15 -1.7(10) . . . . ?
C4 C5 C6 C7 178.1(7) . . . . ?
C5 C6 C7 C8 178.5(7) . . . . ?
C15 C6 C7 C8 -1.6(10) . . . . ?
C6 C7 C8 C9 1.1(11) . . . . ?
C7 C8 C9 C14 0.1(10) . . . . ?
C7 C8 C9 C10 -179.0(7) . . . . ?
C14 C9 C10 C11 1.2(10) . . . . ?
C8 C9 C10 C11 -179.6(7) . . . . ?
C9 C10 C11 C12 -1.2(11) . . . . ?
C10 C11 C12 C13 -0.4(10) . . . . ?
C11 C12 C13 C14 1.8(9) . . . . ?
C11 C12 C13 Pt1 -179.3(5) . . . . ?
C10 C9 C14 C13 0.2(9) . . . . ?
C8 C9 C14 C13 -179.0(6) . . . . ?
C10 C9 C14 C15 178.5(6) . . . . ?
C8 C9 C14 C15 -0.7(9) . . . . ?
C12 C13 C14 C9 -1.7(8) . . . . ?
Pt1 C13 C14 C9 179.2(5) . . . . ?
C12 C13 C14 C15 -180.0(5) . . . . ?
Pt1 C13 C14 C15 0.9(6) . . . . ?
C3 N2 C15 C6 0.2(8) . . . . ?
Pt1 N2 C15 C6 -178.7(4) . . . . ?
C3 N2 C15 C14 -179.9(5) . . . . ?
Pt1 N2 C15 C14 1.2(6) . . . . ?
C5 C6 C15 N2 0.8(9) . . . . ?
C7 C6 C15 N2 -179.0(5) . . . . ?
C5 C6 C15 C14 -179.1(6) . . . . ?
C7 C6 C15 C14 1.0(9) . . . . ?
C9 C14 C15 N2 -179.8(5) . . . . ?
C13 C14 C15 N2 -1.4(7) . . . . ?
C9 C14 C15 C6 0.1(8) . . . . ?
C13 C14 C15 C6 178.5(5) . . . . ?
C22 C16 C17 C18 0.8(8) . . . . ?
Pt1 C16 C17 C18 -172.3(4) . . . . ?
C16 C17 C18 C19 0.2(9) . . . . ?
C17 C18 C19 C21 -1.4(10) . . . . ?
C17 C18 C19 C20 175.9(7) . . . . ?
C18 C19 C21 C22 1.6(10) . . . . ?
C20 C19 C21 C22 -175.7(7) . . . . ?
C19 C21 C22 C16 -0.5(10) . . . . ?
C17 C16 C22 C21 -0.7(8) . . . . ?
Pt1 C16 C22 C21 172.3(5) . . . . ?
C30 P23 C24 C25 -139.2(4) . . . . ?
C36 P23 C24 C25 106.3(4) . . . . ?
Pt1 P23 C24 C25 -20.1(5) . . . . ?
C30 P23 C24 C29 39.3(5) . . . . ?
C36 P23 C24 C29 -75.3(5) . . . . ?
Pt1 P23 C24 C29 158.3(4) . . . . ?
C29 C24 C25 C26 0.3(9) . . . . ?
P23 C24 C25 C26 178.8(6) . . . . ?
C24 C25 C26 C27 -1.3(11) . . . . ?
C25 C26 C27 C28 1.1(13) . . . . ?
C26 C27 C28 C29 -0.1(12) . . . . ?
C27 C28 C29 C24 -0.8(9) . . . . ?
C25 C24 C29 C28 0.7(8) . . . . ?
P23 C24 C29 C28 -177.6(4) . . . . ?
C24 P23 C30 C31 14.1(5) . . . . ?
C36 P23 C30 C31 128.6(4) . . . . ?
Pt1 P23 C30 C31 -107.8(4) . . . . ?
C24 P23 C30 C35 -175.6(3) . . . . ?
C36 P23 C30 C35 -61.1(4) . . . . ?
Pt1 P23 C30 C35 62.5(4) . . . . ?
C35 C30 C31 C32 -0.9(7) . . . . ?
P23 C30 C31 C32 169.2(4) . . . . ?
C30 C31 C32 C33 0.8(8) . . . . ?
C31 C32 C33 C34 0.3(8) . . . . ?
C32 C33 C34 C35 -1.2(8) . . . . ?
C33 C34 C35 C30 1.2(8) . . . . ?
C31 C30 C35 C34 -0.1(7) . . . . ?
P23 C30 C35 C34 -170.9(4) . . . . ?
C30 P23 C36 P37 -44.4(4) . . . . ?
C24 P23 C36 P37 72.8(4) . . . . ?
Pt1 P23 C36 P37 -162.9(2) . . . . ?
P23 C36 P37 C44 -84.6(3) . . . . ?
P23 C36 P37 C38 172.2(3) . . . . ?
P23 C36 P37 Pt50 41.3(3) . . . . ?
C44 P37 C38 C39 -86.1(4) . . . . ?
C36 P37 C38 C39 26.4(5) . . . . ?
Pt50 P37 C38 C39 152.9(4) . . . . ?
C44 P37 C38 C43 86.8(4) . . . . ?
C36 P37 C38 C43 -160.7(4) . . . . ?
Pt50 P37 C38 C43 -34.2(5) . . . . ?
C43 C38 C39 C40 -0.3(8) . . . . ?
P37 C38 C39 C40 172.5(4) . . . . ?
C38 C39 C40 C41 1.0(9) . . . . ?
C39 C40 C41 C42 -1.1(9) . . . . ?
C40 C41 C42 C43 0.5(9) . . . . ?
C41 C42 C43 C38 0.3(9) . . . . ?
C39 C38 C43 C42 -0.4(8) . . . . ?
P37 C38 C43 C42 -173.4(5) . . . . ?
C38 P37 C44 C49 -77.7(4) . . . . ?
C36 P37 C44 C49 175.8(4) . . . . ?
Pt50 P37 C44 C49 49.2(4) . . . . ?
C38 P37 C44 C45 97.8(5) . . . . ?
C36 P37 C44 C45 -8.7(5) . . . . ?
Pt50 P37 C44 C45 -135.3(4) . . . . ?
C49 C44 C45 C46 -0.8(8) . . . . ?
P37 C44 C45 C46 -176.2(4) . . . . ?
C44 C45 C46 C47 1.7(8) . . . . ?
C45 C46 C47 C48 -2.1(9) . . . . ?
C46 C47 C48 C49 1.7(9) . . . . ?
C47 C48 C49 C44 -0.8(8) . . . . ?
C45 C44 C49 C48 0.4(8) . . . . ?
P37 C44 C49 C48 176.1(4) . . . . ?
C56 N51 C52 C53 0.2(8) . . . . ?
Pt50 N51 C52 C53 170.0(4) . . . . ?
N51 C52 C53 C54 0.8(9) . . . . ?
C52 C53 C54 C55 -0.3(9) . . . . ?
C53 C54 C55 C56 -1.2(8) . . . . ?
C52 N51 C56 C55 -1.8(7) . . . . ?
Pt50 N51 C56 C55 -172.5(4) . . . . ?
C52 N51 C56 C57 174.3(4) . . . . ?
Pt50 N51 C56 C57 3.6(5) . . . . ?
C54 C55 C56 N51 2.3(8) . . . . ?
C54 C55 C56 C57 -173.4(5) . . . . ?
N51 C56 C57 C62 177.4(5) . . . . ?
C55 C56 C57 C62 -6.6(8) . . . . ?
N51 C56 C57 C58 -6.5(6) . . . . ?
C55 C56 C57 C58 169.5(5) . . . . ?
C62 C57 C58 C59 3.5(7) . . . . ?
C56 C57 C58 C59 -172.7(4) . . . . ?
C62 C57 C58 Pt50 -177.6(4) . . . . ?
C56 C57 C58 Pt50 6.2(5) . . . . ?
C57 C58 C59 C60 -1.4(7) . . . . ?
Pt50 C58 C59 C60 179.8(4) . . . . ?
C58 C59 C60 C61 -1.6(9) . . . . ?
C59 C60 C61 C62 2.6(9) . . . . ?
C60 C61 C62 C57 -0.5(9) . . . . ?
C58 C57 C62 C61 -2.6(8) . . . . ?
C56 C57 C62 C61 173.3(5) . . . . ?
Pt50 O63 C65 O64 -1.4(8) . . . . ?
Pt50 O63 C65 C66 178.8(3) . . . . ?
O64 C65 C66 F67 164.7(7) . . . . ?
O63 C65 C66 F67 -15.4(8) . . . . ?
O64 C65 C66 F68' -5.2(10) . . . . ?
O63 C65 C66 F68' 174.6(9) . . . . ?
O64 C65 C66 F68 -65.2(7) . . . . ?
O63 C65 C66 F68 114.7(6) . . . . ?
O64 C65 C66 F69' 123.5(7) . . . . ?
O63 C65 C66 F69' -56.7(7) . . . . ?
O64 C65 C66 F67' -127.6(7) . . . . ?
O63 C65 C66 F67' 52.2(8) . . . . ?
O64 C65 C66 F69 43.9(7) . . . . ?
O63 C65 C66 F69 -136.3(5) . . . . ?

_refine_diff_density_max         2.506
_refine_diff_density_min         -2.819
_refine_diff_density_rms         0.168

