# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_3a
_database_code_depnum_ccdc_archive 'CCDC 1036686'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2015-07-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H32 N P2 Pt, Cl'
_chemical_formula_sum            'C37 H32 Cl N P2 Pt'
_chemical_formula_weight         783.11

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

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

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

_cell_length_a                   18.4708(5)
_cell_length_b                   20.6154(5)
_cell_length_c                   16.8454(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6414.4(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    8997
_cell_measurement_theta_min      2.9583
_cell_measurement_theta_max      28.9617

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_F_000             3088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    4.585
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.34376
_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            31589
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.123
_diffrn_reflns_theta_max         24.999
_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             5644
_reflns_number_gt                4289
_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 (Oxford Diffraction (2009))'
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_molecular_graphics    
; 
SHELXTL (Sheldrick, 2008), Mercury (Macrae et al., 2008)
;
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2008)'

_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)+(0.0722P)²+2.3256P] 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         5644
_refine_ls_number_parameters     380
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0416
_refine_ls_wR_factor_ref         0.1248
_refine_ls_wR_factor_gt          0.1100
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.70888(2) 0.04767(2) 0.54930(2) 0.03901(13) Uani 1 1 d . . . . .
N1 N 0.6273(3) 0.0222(3) 0.4704(3) 0.0492(13) Uani 1 1 d . . . . .
C2 C 0.6092(4) 0.0548(3) 0.4025(4) 0.0573(19) Uani 1 1 d . . . . .
H2A H 0.6332 0.0933 0.3908 0.069 Uiso 1 1 calc R U . . .
C3 C 0.5573(4) 0.0333(4) 0.3511(4) 0.068(2) Uani 1 1 d . . . . .
H3A H 0.5461 0.0570 0.3058 0.081 Uiso 1 1 calc R U . . .
C4 C 0.5216(4) -0.0240(4) 0.3671(5) 0.069(2) Uani 1 1 d . . . . .
H4A H 0.4865 -0.0396 0.3325 0.083 Uiso 1 1 calc R U . . .
C5 C 0.5390(4) -0.0573(4) 0.4344(5) 0.061(2) Uani 1 1 d . . . . .
H5A H 0.5152 -0.0959 0.4460 0.073 Uiso 1 1 calc R U . . .
C6 C 0.5920(3) -0.0341(4) 0.4863(4) 0.0487(16) Uani 1 1 d . . . . .
C7 C 0.6179(3) -0.0674(4) 0.5577(4) 0.0479(16) Uani 1 1 d . . . . .
C8 C 0.5865(4) -0.1254(4) 0.5857(5) 0.067(2) Uani 1 1 d . . . . .
H8A H 0.5481 -0.1438 0.5581 0.081 Uiso 1 1 calc R U . . .
C9 C 0.6117(4) -0.1549(4) 0.6529(5) 0.072(2) Uani 1 1 d . . . . .
H9A H 0.5915 -0.1937 0.6702 0.087 Uiso 1 1 calc R U . . .
C10 C 0.6673(4) -0.1266(4) 0.6945(4) 0.071(2) Uani 1 1 d . . . . .
H10A H 0.6847 -0.1459 0.7406 0.085 Uiso 1 1 calc R U . . .
C11 C 0.6974(4) -0.0689(4) 0.6674(4) 0.0558(18) Uani 1 1 d . . . . .
H11A H 0.7343 -0.0499 0.6969 0.067 Uiso 1 1 calc R U . . .
C12 C 0.6749(3) -0.0385(3) 0.5989(3) 0.0430(15) Uani 1 1 d . . . . .
P13 P 0.73071(9) 0.15136(8) 0.50443(9) 0.0444(4) Uani 1 1 d . . . . .
C14 C 0.7829(3) 0.1618(4) 0.4143(4) 0.0519(17) Uani 1 1 d . . . . .
C15 C 0.8094(4) 0.2218(4) 0.3915(4) 0.067(2) Uani 1 1 d . . . . .
H15A H 0.7981 0.2585 0.4211 0.080 Uiso 1 1 calc R U . . .
C16 C 0.8532(5) 0.2271(5) 0.3237(5) 0.087(3) Uani 1 1 d . . . . .
H16A H 0.8708 0.2674 0.3081 0.105 Uiso 1 1 calc R U . . .
C17 C 0.8698(4) 0.1733(6) 0.2814(5) 0.086(3) Uani 1 1 d . . . . .
H17A H 0.8991 0.1769 0.2367 0.103 Uiso 1 1 calc R U . . .
C18 C 0.8440(4) 0.1137(5) 0.3033(4) 0.076(2) Uani 1 1 d . . . . .
H18A H 0.8556 0.0771 0.2735 0.091 Uiso 1 1 calc R U . . .
C19 C 0.8012(3) 0.1078(4) 0.3692(4) 0.0555(18) Uani 1 1 d . . . . .
H19A H 0.7841 0.0672 0.3840 0.067 Uiso 1 1 calc R U . . .
C20 C 0.6485(3) 0.1992(3) 0.4974(3) 0.0466(15) Uani 1 1 d . . . . .
C21 C 0.6251(4) 0.2308(4) 0.4292(4) 0.0614(19) Uani 1 1 d . . . . .
H21A H 0.6545 0.2320 0.3844 0.074 Uiso 1 1 calc R U . . .
C22 C 0.5566(5) 0.2610(4) 0.4280(6) 0.081(3) Uani 1 1 d . . . . .
H22A H 0.5404 0.2819 0.3824 0.097 Uiso 1 1 calc R U . . .
C23 C 0.5145(5) 0.2593(4) 0.4941(6) 0.076(2) Uani 1 1 d . . . . .
H23A H 0.4689 0.2785 0.4929 0.091 Uiso 1 1 calc R U . . .
C24 C 0.5369(4) 0.2308(4) 0.5606(5) 0.067(2) Uani 1 1 d . . . . .
H24A H 0.5078 0.2319 0.6056 0.080 Uiso 1 1 calc R U . . .
C25 C 0.6031(4) 0.1996(4) 0.5632(4) 0.0592(19) Uani 1 1 d . . . . .
H25A H 0.6175 0.1787 0.6095 0.071 Uiso 1 1 calc R U . . .
C26 C 0.7870(3) 0.1908(3) 0.5799(4) 0.0495(16) Uani 1 1 d . . . . .
H26A H 0.8079 0.2304 0.5591 0.059 Uiso 1 1 calc R U . . .
H26B H 0.7583 0.2014 0.6263 0.059 Uiso 1 1 calc R U . . .
C27 C 0.8461(3) 0.1432(3) 0.6015(4) 0.0468(15) Uani 1 1 d . . . . .
H27A H 0.8740 0.1597 0.6458 0.056 Uiso 1 1 calc R U . . .
H27B H 0.8785 0.1372 0.5568 0.056 Uiso 1 1 calc R U . . .
P28 P 0.80459(8) 0.06559(9) 0.62826(9) 0.0400(4) Uani 1 1 d . . . . .
C29 C 0.7833(3) 0.0756(3) 0.7325(3) 0.0419(14) Uani 1 1 d . . . . .
C30 C 0.8369(4) 0.0778(4) 0.7899(4) 0.0585(18) Uani 1 1 d . . . . .
H30A H 0.8849 0.0709 0.7755 0.070 Uiso 1 1 calc R U . . .
C31 C 0.8198(4) 0.0903(4) 0.8680(4) 0.069(2) Uani 1 1 d . . . . .
H31A H 0.8562 0.0919 0.9061 0.083 Uiso 1 1 calc R U . . .
C32 C 0.7494(5) 0.1002(4) 0.8896(4) 0.068(2) Uani 1 1 d . . . . .
H32A H 0.7379 0.1077 0.9426 0.082 Uiso 1 1 calc R U . . .
C33 C 0.6955(4) 0.0994(4) 0.8337(4) 0.067(2) Uani 1 1 d . . . . .
H33A H 0.6477 0.1075 0.8481 0.081 Uiso 1 1 calc R U . . .
C34 C 0.7130(3) 0.0863(3) 0.7557(4) 0.0514(17) Uani 1 1 d . . . . .
H34A H 0.6763 0.0846 0.7179 0.062 Uiso 1 1 calc R U . . .
C35 C 0.8771(3) 0.0078(3) 0.6169(3) 0.0440(15) Uani 1 1 d . . . . .
C36 C 0.8634(4) -0.0522(3) 0.5845(4) 0.0551(18) Uani 1 1 d . . . . .
H36A H 0.8162 -0.0623 0.5695 0.066 Uiso 1 1 calc R U . . .
C37 C 0.9167(4) -0.0978(4) 0.5732(4) 0.070(2) Uani 1 1 d . . . . .
H37A H 0.9057 -0.1385 0.5528 0.084 Uiso 1 1 calc R U . . .
C38 C 0.9875(4) -0.0816(5) 0.5932(5) 0.086(3) Uani 1 1 d . . . . .
H38A H 1.0247 -0.1112 0.5846 0.103 Uiso 1 1 calc R U . . .
C39 C 1.0023(4) -0.0234(5) 0.6247(5) 0.088(3) Uani 1 1 d . . . . .
H39A H 1.0496 -0.0133 0.6388 0.105 Uiso 1 1 calc R U . . .
C40 C 0.9478(4) 0.0221(4) 0.6365(5) 0.071(2) Uani 1 1 d . . . . .
H40A H 0.9591 0.0624 0.6579 0.085 Uiso 1 1 calc R U . . .
Cl1 Cl 1.0000 0.16861(15) 0.7500 0.0676(7) Uani 1 2 d S T P . .
Cl2 Cl 1.0000 0.33974(16) 0.2500 0.0907(9) Uani 1 2 d S T P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C12 2.060(6) . ?
Pt1 N1 2.078(5) . ?
Pt1 P28 2.2430(15) . ?
Pt1 P13 2.3030(17) . ?
N1 C6 1.357(9) . ?
N1 C2 1.369(9) . ?
C2 C3 1.365(9) . ?
C3 C4 1.378(11) . ?
C4 C5 1.364(11) . ?
C5 C6 1.397(9) . ?
C6 C7 1.466(9) . ?
C7 C12 1.395(9) . ?
C7 C8 1.409(10) . ?
C8 C9 1.367(10) . ?
C9 C10 1.373(10) . ?
C10 C11 1.390(10) . ?
C11 C12 1.377(9) . ?
P13 C14 1.812(7) . ?
P13 C20 1.815(6) . ?
P13 C26 1.832(6) . ?
C14 C15 1.384(10) . ?
C14 C19 1.388(10) . ?
C15 C16 1.404(10) . ?
C16 C17 1.354(12) . ?
C17 C18 1.370(12) . ?
C18 C19 1.369(10) . ?
C20 C25 1.389(9) . ?
C20 C21 1.390(9) . ?
C21 C22 1.410(11) . ?
C22 C23 1.360(12) . ?
C23 C24 1.330(11) . ?
C24 C25 1.383(10) . ?
C26 C27 1.512(9) . ?
C27 P28 1.830(6) . ?
P28 C35 1.802(6) . ?
P28 C29 1.811(6) . ?
C29 C34 1.374(8) . ?
C29 C30 1.384(8) . ?
C30 C31 1.378(9) . ?
C31 C32 1.367(11) . ?
C32 C33 1.371(10) . ?
C33 C34 1.379(9) . ?
C35 C36 1.376(9) . ?
C35 C40 1.379(9) . ?
C36 C37 1.375(10) . ?
C37 C38 1.391(10) . ?
C38 C39 1.341(12) . ?
C39 C40 1.389(10) . ?

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
C12 Pt1 N1 79.7(2) . . ?
C12 Pt1 P28 98.14(17) . . ?
N1 Pt1 P28 173.24(16) . . ?
C12 Pt1 P13 170.58(18) . . ?
N1 Pt1 P13 98.73(17) . . ?
P28 Pt1 P13 84.47(6) . . ?
C6 N1 C2 117.9(5) . . ?
C6 N1 Pt1 116.0(4) . . ?
C2 N1 Pt1 126.0(5) . . ?
C3 C2 N1 122.7(7) . . ?
C2 C3 C4 119.4(7) . . ?
C5 C4 C3 118.7(7) . . ?
C4 C5 C6 120.8(8) . . ?
N1 C6 C5 120.3(7) . . ?
N1 C6 C7 114.0(5) . . ?
C5 C6 C7 125.5(7) . . ?
C12 C7 C8 120.4(7) . . ?
C12 C7 C6 117.0(6) . . ?
C8 C7 C6 122.6(6) . . ?
C9 C8 C7 120.9(7) . . ?
C8 C9 C10 119.2(7) . . ?
C9 C10 C11 119.7(7) . . ?
C12 C11 C10 123.0(7) . . ?
C11 C12 C7 116.7(6) . . ?
C11 C12 Pt1 129.8(5) . . ?
C7 C12 Pt1 113.4(5) . . ?
C14 P13 C20 109.1(3) . . ?
C14 P13 C26 103.1(3) . . ?
C20 P13 C26 106.2(3) . . ?
C14 P13 Pt1 118.6(3) . . ?
C20 P13 Pt1 112.3(2) . . ?
C26 P13 Pt1 106.4(2) . . ?
C15 C14 C19 118.6(7) . . ?
C15 C14 P13 121.7(6) . . ?
C19 C14 P13 119.5(6) . . ?
C14 C15 C16 119.9(8) . . ?
C17 C16 C15 119.7(8) . . ?
C16 C17 C18 121.0(8) . . ?
C19 C18 C17 119.9(8) . . ?
C18 C19 C14 120.9(7) . . ?
C25 C20 C21 118.0(6) . . ?
C25 C20 P13 117.1(5) . . ?
C21 C20 P13 124.7(5) . . ?
C20 C21 C22 119.9(7) . . ?
C23 C22 C21 119.3(7) . . ?
C24 C23 C22 121.5(8) . . ?
C23 C24 C25 120.5(8) . . ?
C24 C25 C20 120.7(7) . . ?
C27 C26 P13 106.8(5) . . ?
C26 C27 P28 108.9(4) . . ?
C35 P28 C29 109.9(3) . . ?
C35 P28 C27 103.9(3) . . ?
C29 P28 C27 103.3(3) . . ?
C35 P28 Pt1 114.4(2) . . ?
C29 P28 Pt1 114.97(19) . . ?
C27 P28 Pt1 109.16(19) . . ?
C34 C29 C30 118.2(6) . . ?
C34 C29 P28 120.0(5) . . ?
C30 C29 P28 121.7(5) . . ?
C31 C30 C29 120.6(7) . . ?
C32 C31 C30 120.0(7) . . ?
C31 C32 C33 120.4(6) . . ?
C32 C33 C34 119.2(7) . . ?
C29 C34 C33 121.6(6) . . ?
C36 C35 C40 117.4(6) . . ?
C36 C35 P28 120.0(5) . . ?
C40 C35 P28 122.5(5) . . ?
C37 C36 C35 122.6(7) . . ?
C36 C37 C38 118.4(8) . . ?
C39 C38 C37 120.1(8) . . ?
C38 C39 C40 120.9(8) . . ?
C35 C40 C39 120.6(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N1 C2 C3 0.4(10) . . . . ?
Pt1 N1 C2 C3 176.4(6) . . . . ?
N1 C2 C3 C4 -0.6(12) . . . . ?
C2 C3 C4 C5 0.6(11) . . . . ?
C3 C4 C5 C6 -0.3(11) . . . . ?
C2 N1 C6 C5 0.0(9) . . . . ?
Pt1 N1 C6 C5 -176.5(5) . . . . ?
C2 N1 C6 C7 176.7(6) . . . . ?
Pt1 N1 C6 C7 0.2(7) . . . . ?
C4 C5 C6 N1 0.0(10) . . . . ?
C4 C5 C6 C7 -176.3(6) . . . . ?
N1 C6 C7 C12 -0.9(8) . . . . ?
C5 C6 C7 C12 175.6(6) . . . . ?
N1 C6 C7 C8 177.7(6) . . . . ?
C5 C6 C7 C8 -5.8(10) . . . . ?
C12 C7 C8 C9 -0.9(11) . . . . ?
C6 C7 C8 C9 -179.5(6) . . . . ?
C7 C8 C9 C10 1.6(11) . . . . ?
C8 C9 C10 C11 -0.6(11) . . . . ?
C9 C10 C11 C12 -1.3(12) . . . . ?
C10 C11 C12 C7 1.9(10) . . . . ?
C10 C11 C12 Pt1 177.9(6) . . . . ?
C8 C7 C12 C11 -0.9(10) . . . . ?
C6 C7 C12 C11 177.8(6) . . . . ?
C8 C7 C12 Pt1 -177.5(5) . . . . ?
C6 C7 C12 Pt1 1.2(7) . . . . ?
C20 P13 C14 C15 61.7(6) . . . . ?
C26 P13 C14 C15 -50.8(7) . . . . ?
Pt1 P13 C14 C15 -168.1(5) . . . . ?
C20 P13 C14 C19 -122.5(5) . . . . ?
C26 P13 C14 C19 124.9(5) . . . . ?
Pt1 P13 C14 C19 7.7(6) . . . . ?
C19 C14 C15 C16 0.4(11) . . . . ?
P13 C14 C15 C16 176.2(6) . . . . ?
C14 C15 C16 C17 -0.4(13) . . . . ?
C15 C16 C17 C18 0.4(14) . . . . ?
C16 C17 C18 C19 -0.3(13) . . . . ?
C17 C18 C19 C14 0.4(11) . . . . ?
C15 C14 C19 C18 -0.4(10) . . . . ?
P13 C14 C19 C18 -176.3(5) . . . . ?
C14 P13 C20 C25 -177.0(5) . . . . ?
C26 P13 C20 C25 -66.5(6) . . . . ?
Pt1 P13 C20 C25 49.5(6) . . . . ?
C14 P13 C20 C21 8.6(7) . . . . ?
C26 P13 C20 C21 119.1(6) . . . . ?
Pt1 P13 C20 C21 -124.9(5) . . . . ?
C25 C20 C21 C22 -1.0(10) . . . . ?
P13 C20 C21 C22 173.4(6) . . . . ?
C20 C21 C22 C23 0.6(12) . . . . ?
C21 C22 C23 C24 1.3(12) . . . . ?
C22 C23 C24 C25 -2.6(12) . . . . ?
C23 C24 C25 C20 2.1(11) . . . . ?
C21 C20 C25 C24 -0.3(10) . . . . ?
P13 C20 C25 C24 -175.1(6) . . . . ?
C14 P13 C26 C27 -79.4(5) . . . . ?
C20 P13 C26 C27 166.0(4) . . . . ?
Pt1 P13 C26 C27 46.1(5) . . . . ?
P13 C26 C27 P28 -52.8(5) . . . . ?
C26 C27 P28 C35 159.8(4) . . . . ?
C26 C27 P28 C29 -85.5(5) . . . . ?
C26 C27 P28 Pt1 37.3(5) . . . . ?
C35 P28 C29 C34 -145.2(5) . . . . ?
C27 P28 C29 C34 104.5(6) . . . . ?
Pt1 P28 C29 C34 -14.4(6) . . . . ?
C35 P28 C29 C30 40.0(7) . . . . ?
C27 P28 C29 C30 -70.4(6) . . . . ?
Pt1 P28 C29 C30 170.8(5) . . . . ?
C34 C29 C30 C31 0.2(11) . . . . ?
P28 C29 C30 C31 175.2(6) . . . . ?
C29 C30 C31 C32 0.3(12) . . . . ?
C30 C31 C32 C33 -1.4(12) . . . . ?
C31 C32 C33 C34 2.0(12) . . . . ?
C30 C29 C34 C33 0.4(11) . . . . ?
P28 C29 C34 C33 -174.6(6) . . . . ?
C32 C33 C34 C29 -1.5(12) . . . . ?
C29 P28 C35 C36 109.9(6) . . . . ?
C27 P28 C35 C36 -140.1(6) . . . . ?
Pt1 P28 C35 C36 -21.2(6) . . . . ?
C29 P28 C35 C40 -72.9(7) . . . . ?
C27 P28 C35 C40 37.2(6) . . . . ?
Pt1 P28 C35 C40 156.1(5) . . . . ?
C40 C35 C36 C37 1.6(11) . . . . ?
P28 C35 C36 C37 179.0(6) . . . . ?
C35 C36 C37 C38 -2.1(12) . . . . ?
C36 C37 C38 C39 1.9(14) . . . . ?
C37 C38 C39 C40 -1.3(16) . . . . ?
C36 C35 C40 C39 -0.9(12) . . . . ?
P28 C35 C40 C39 -178.2(7) . . . . ?
C38 C39 C40 C35 0.8(15) . . . . ?

_refine_diff_density_max         1.965
_refine_diff_density_min         -2.020
_refine_diff_density_rms         0.129

_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_3c
_database_code_depnum_ccdc_archive 'CCDC 1036687'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2015-07-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H34 N P2 Pt, Cl'
_chemical_formula_sum            'C38 H34 Cl N P2 Pt'
_chemical_formula_weight         797.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Pt Pt -4.5932 6.9264 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

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

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

_cell_length_a                   19.4057(4)
_cell_length_b                   20.2771(3)
_cell_length_c                   16.6972(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6570.20(18)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    3480
_cell_measurement_theta_min      2.2749
_cell_measurement_theta_max      41.3469

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_F_000             3152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    9.864
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.01938
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21t (release 14-08-2012 CrysAlis171 .NET)
(compiled Aug 14 2012,18:12:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_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            17829
_diffrn_reflns_av_unetI/netI     0.0230
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.152
_diffrn_reflns_theta_max         70.000
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6230
_reflns_number_gt                5600
_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 (Oxford Diffraction (2009))'
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_molecular_graphics    
; 
SHELXTL (Sheldrick, 2008), Mercury (Macrae et al., 2008)
;
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2008)'

_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)+(0.0530P)²+4.8890P] 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         6230
_refine_ls_number_parameters     389
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0322
_refine_ls_wR_factor_ref         0.0913
_refine_ls_wR_factor_gt          0.0890
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.21316(2) 0.04639(2) 0.56494(2) 0.04145(8) Uani 1 1 d . . . . .
N1 N 0.13235(15) 0.02001(15) 0.48768(19) 0.0451(7) Uani 1 1 d . . . . .
C2 C 0.1184(2) 0.0481(2) 0.4164(3) 0.0534(10) Uani 1 1 d . . . . .
H2 H 0.1429 0.0856 0.4017 0.064 Uiso 1 1 calc R U . . .
C3 C 0.0697(2) 0.0239(2) 0.3643(3) 0.0623(11) Uani 1 1 d . . . . .
H3 H 0.0612 0.0447 0.3157 0.075 Uiso 1 1 calc R U . . .
C4 C 0.0337(2) -0.0322(2) 0.3859(3) 0.0678(13) Uani 1 1 d . . . . .
H4 H 0.0004 -0.0497 0.3520 0.081 Uiso 1 1 calc R U . . .
C5 C 0.0478(2) -0.0615(2) 0.4577(3) 0.0613(11) Uani 1 1 d . . . . .
H5 H 0.0237 -0.0992 0.4727 0.074 Uiso 1 1 calc R U . . .
C6 C 0.09764(18) -0.03577(18) 0.5088(3) 0.0475(9) Uani 1 1 d . . . . .
C7 C 0.1202(2) -0.06586(19) 0.5837(3) 0.0490(9) Uani 1 1 d . . . . .
C8 C 0.0846(2) -0.1183(2) 0.6184(3) 0.0621(11) Uani 1 1 d . . . . .
H8 H 0.0443 -0.1336 0.5948 0.075 Uiso 1 1 calc R U . . .
C9 C 0.1087(3) -0.1475(2) 0.6876(3) 0.0663(12) Uani 1 1 d . . . . .
H9 H 0.0852 -0.1828 0.7104 0.080 Uiso 1 1 calc R U . . .
C10 C 0.1682(3) -0.1234(2) 0.7223(3) 0.0656(11) Uani 1 1 d . . . . .
H10 H 0.1853 -0.1431 0.7685 0.079 Uiso 1 1 calc R U . . .
C11 C 0.2028(2) -0.0703(2) 0.6893(3) 0.0572(10) Uani 1 1 d . . . . .
H11 H 0.2423 -0.0546 0.7143 0.069 Uiso 1 1 calc R U . . .
C12 C 0.1797(2) -0.03954(17) 0.6191(3) 0.0468(9) Uani 1 1 d . . . . .
P13 P 0.22599(5) 0.15396(5) 0.51957(6) 0.0461(2) Uani 1 1 d . . . . .
C14 C 0.1439(2) 0.19308(19) 0.4968(3) 0.0556(10) Uani 1 1 d . . . . .
C15 C 0.1317(3) 0.2263(2) 0.4255(3) 0.0786(16) Uani 1 1 d . . . . .
H15 H 0.1654 0.2285 0.3860 0.094 Uiso 1 1 calc R U . . .
C16 C 0.0676(4) 0.2565(3) 0.4144(5) 0.108(3) Uani 1 1 d . . . . .
H16 H 0.0584 0.2789 0.3670 0.130 Uiso 1 1 calc R U . . .
C17 C 0.0184(3) 0.2533(3) 0.4726(7) 0.121(3) Uani 1 1 d . . . . .
H17 H -0.0242 0.2732 0.4642 0.145 Uiso 1 1 calc R U . . .
C18 C 0.0305(3) 0.2213(3) 0.5429(5) 0.099(2) Uani 1 1 d . . . . .
H18 H -0.0030 0.2206 0.5827 0.119 Uiso 1 1 calc R U . . .
C19 C 0.0932(2) 0.1898(2) 0.5549(4) 0.0695(14) Uani 1 1 d . . . . .
H19 H 0.1011 0.1665 0.6020 0.083 Uiso 1 1 calc R U . . .
C20 C 0.2830(2) 0.1686(3) 0.4347(3) 0.0547(11) Uani 1 1 d . . . . .
C21 C 0.3026(2) 0.1158(2) 0.3876(3) 0.0596(11) Uani 1 1 d . . . . .
H21 H 0.2867 0.0737 0.3997 0.072 Uiso 1 1 calc R U . . .
C22 C 0.3455(3) 0.1250(3) 0.3227(3) 0.0766(14) Uani 1 1 d . . . . .
H22 H 0.3573 0.0893 0.2905 0.092 Uiso 1 1 calc R U . . .
C23 C 0.3707(3) 0.1863(3) 0.3055(4) 0.0888(17) Uani 1 1 d . . . . .
H23 H 0.4000 0.1922 0.2620 0.107 Uiso 1 1 calc R U . . .
C24 C 0.3530(3) 0.2392(3) 0.3524(4) 0.0945(18) Uani 1 1 d . . . . .
H24 H 0.3705 0.2808 0.3409 0.113 Uiso 1 1 calc R U . . .
C25 C 0.3089(3) 0.2306(3) 0.4170(4) 0.0795(15) Uani 1 1 d . . . . .
H25 H 0.2966 0.2666 0.4485 0.095 Uiso 1 1 calc R U . . .
C26 C 0.2550(2) 0.20831(19) 0.6006(3) 0.0557(10) Uani 1 1 d . . . . .
H26A H 0.2502 0.2536 0.5828 0.067 Uiso 1 1 calc R U . . .
H26B H 0.2244 0.2023 0.6460 0.067 Uiso 1 1 calc R U . . .
C27 C 0.3289(2) 0.1983(2) 0.6293(3) 0.0649(12) Uani 1 1 d . . . . .
H27A H 0.3301 0.2062 0.6866 0.078 Uiso 1 1 calc R U . . .
H27B H 0.3576 0.2315 0.6041 0.078 Uiso 1 1 calc R U . . .
C28 C 0.36103(19) 0.1309(2) 0.6133(3) 0.0540(10) Uani 1 1 d . . . . .
H28A H 0.4041 0.1283 0.6426 0.065 Uiso 1 1 calc R U . . .
H28B H 0.3720 0.1282 0.5567 0.065 Uiso 1 1 calc R U . . .
P29 P 0.30891(5) 0.05962(5) 0.63970(6) 0.0426(2) Uani 1 1 d . . . . .
C30 C 0.3717(2) -0.0067(2) 0.6286(3) 0.0549(10) Uani 1 1 d . . . . .
C31 C 0.3528(2) -0.0672(2) 0.5971(3) 0.0627(11) Uani 1 1 d . . . . .
H31 H 0.3074 -0.0744 0.5819 0.075 Uiso 1 1 calc R U . . .
C32 C 0.4005(3) -0.1171(3) 0.5881(3) 0.0740(14) Uani 1 1 d . . . . .
H32 H 0.3868 -0.1577 0.5675 0.089 Uiso 1 1 calc R U . . .
C33 C 0.4672(3) -0.1074(3) 0.6091(5) 0.106(2) Uani 1 1 d . . . . .
H33 H 0.4994 -0.1410 0.6025 0.127 Uiso 1 1 calc R U . . .
C34 C 0.4865(3) -0.0490(3) 0.6396(6) 0.143(4) Uani 1 1 d . . . . .
H34 H 0.5323 -0.0425 0.6541 0.172 Uiso 1 1 calc R U . . .
C35 C 0.4394(3) 0.0019(3) 0.6501(5) 0.102(2) Uani 1 1 d . . . . .
H35 H 0.4537 0.0418 0.6716 0.123 Uiso 1 1 calc R U . . .
C36 C 0.2916(2) 0.0710(2) 0.7459(3) 0.0496(9) Uani 1 1 d . . . . .
C37 C 0.3441(3) 0.0727(3) 0.8020(3) 0.0736(13) Uani 1 1 d . . . . .
H37 H 0.3894 0.0661 0.7860 0.088 Uiso 1 1 calc R U . . .
C38 C 0.3293(4) 0.0842(4) 0.8820(3) 0.0935(19) Uani 1 1 d . . . . .
H38 H 0.3645 0.0852 0.9198 0.112 Uiso 1 1 calc R U . . .
C39 C 0.2617(4) 0.0940(3) 0.9051(3) 0.0885(18) Uani 1 1 d . . . . .
H39 H 0.2515 0.1016 0.9587 0.106 Uiso 1 1 calc R U . . .
C40 C 0.2105(3) 0.0926(3) 0.8510(3) 0.0750(15) Uani 1 1 d . . . . .
H40 H 0.1652 0.0994 0.8674 0.090 Uiso 1 1 calc R U . . .
C41 C 0.2248(2) 0.0812(2) 0.7708(3) 0.0641(12) Uani 1 1 d . . . . .
H41 H 0.1891 0.0805 0.7337 0.077 Uiso 1 1 calc R U . . .
Cl1 Cl 0.0000 0.34323(10) 0.2500 0.0684(4) Uani 1 2 d S T P . .
Cl2 Cl 0.0000 0.16250(14) 0.7500 0.1689(17) Uani 1 2 d S T P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C12 2.068(4) . ?
Pt1 N1 2.100(3) . ?
Pt1 P29 2.2544(9) . ?
Pt1 P13 2.3225(10) . ?
N1 C2 1.347(5) . ?
N1 C6 1.363(5) . ?
C2 C3 1.376(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.382(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.458(6) . ?
C7 C8 1.394(6) . ?
C7 C12 1.403(6) . ?
C8 C9 1.380(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.383(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.383(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.401(6) . ?
C11 H11 0.9300 . ?
P13 C14 1.819(4) . ?
P13 C20 1.822(4) . ?
P13 C26 1.834(4) . ?
C14 C19 1.384(7) . ?
C14 C15 1.389(7) . ?
C15 C16 1.399(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.364(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.360(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.390(7) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.383(7) . ?
C20 C25 1.386(7) . ?
C21 C22 1.379(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.366(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.371(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.387(8) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.525(6) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.525(6) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 P29 1.819(4) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
P29 C36 1.820(4) . ?
P29 C30 1.824(4) . ?
C30 C35 1.372(6) . ?
C30 C31 1.385(6) . ?
C31 C32 1.379(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.356(7) . ?
C32 H32 0.9300 . ?
C33 C34 1.342(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.390(7) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C41 1.377(6) . ?
C36 C37 1.384(6) . ?
C37 C38 1.386(8) . ?
C37 H37 0.9300 . ?
C38 C39 1.382(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.344(8) . ?
C39 H39 0.9300 . ?
C40 C41 1.387(7) . ?
C40 H40 0.9300 . ?
C41 H41 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
C12 Pt1 N1 79.60(14) . . ?
C12 Pt1 P29 96.71(11) . . ?
N1 Pt1 P29 170.38(9) . . ?
C12 Pt1 P13 165.41(11) . . ?
N1 Pt1 P13 96.83(9) . . ?
P29 Pt1 P13 88.88(3) . . ?
C2 N1 C6 118.7(3) . . ?
C2 N1 Pt1 125.8(3) . . ?
C6 N1 Pt1 114.9(3) . . ?
N1 C2 C3 123.1(4) . . ?
N1 C2 H2 118.5 . . ?
C3 C2 H2 118.5 . . ?
C2 C3 C4 118.4(5) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 120.9(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
N1 C6 C5 119.7(4) . . ?
N1 C6 C7 114.9(3) . . ?
C5 C6 C7 125.3(4) . . ?
C8 C7 C12 121.5(4) . . ?
C8 C7 C6 121.8(4) . . ?
C12 C7 C6 116.7(4) . . ?
C9 C8 C7 120.6(4) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 118.8(4) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
C9 C10 C11 120.9(5) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
C10 C11 C12 121.7(4) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C7 116.5(4) . . ?
C11 C12 Pt1 129.8(3) . . ?
C7 C12 Pt1 113.2(3) . . ?
C14 P13 C20 107.3(2) . . ?
C14 P13 C26 99.29(19) . . ?
C20 P13 C26 106.8(2) . . ?
C14 P13 Pt1 112.58(14) . . ?
C20 P13 Pt1 118.15(17) . . ?
C26 P13 Pt1 110.90(15) . . ?
C19 C14 C15 120.2(4) . . ?
C19 C14 P13 117.0(4) . . ?
C15 C14 P13 122.7(4) . . ?
C14 C15 C16 118.6(7) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C17 C16 C15 120.5(7) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C18 C17 C16 121.1(6) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C17 C18 C19 119.7(7) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C14 C19 C18 119.9(6) . . ?
C14 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C21 C20 C25 118.8(4) . . ?
C21 C20 P13 118.9(4) . . ?
C25 C20 P13 122.3(4) . . ?
C22 C21 C20 120.6(5) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C23 C22 C21 120.3(5) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.1(5) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 C25 120.1(6) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 120.2(6) . . ?
C20 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C27 C26 P13 116.1(3) . . ?
C27 C26 H26A 108.3 . . ?
P13 C26 H26A 108.3 . . ?
C27 C26 H26B 108.3 . . ?
P13 C26 H26B 108.3 . . ?
H26A C26 H26B 107.4 . . ?
C26 C27 C28 116.7(3) . . ?
C26 C27 H27A 108.1 . . ?
C28 C27 H27A 108.1 . . ?
C26 C27 H27B 108.1 . . ?
C28 C27 H27B 108.1 . . ?
H27A C27 H27B 107.3 . . ?
C27 C28 P29 116.2(3) . . ?
C27 C28 H28A 108.2 . . ?
P29 C28 H28A 108.2 . . ?
C27 C28 H28B 108.2 . . ?
P29 C28 H28B 108.2 . . ?
H28A C28 H28B 107.4 . . ?
C28 P29 C36 103.80(19) . . ?
C28 P29 C30 100.9(2) . . ?
C36 P29 C30 108.4(2) . . ?
C28 P29 Pt1 114.74(13) . . ?
C36 P29 Pt1 113.74(13) . . ?
C30 P29 Pt1 113.99(13) . . ?
C35 C30 C31 117.6(4) . . ?
C35 C30 P29 121.3(4) . . ?
C31 C30 P29 121.1(3) . . ?
C32 C31 C30 121.0(4) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C33 C32 C31 120.4(5) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C34 C33 C32 119.5(5) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C34 C35 121.3(6) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C30 C35 C34 120.3(5) . . ?
C30 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C41 C36 C37 119.0(5) . . ?
C41 C36 P29 119.1(3) . . ?
C37 C36 P29 121.8(3) . . ?
C36 C37 C38 120.3(5) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C39 C38 C37 119.3(6) . . ?
C39 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
C40 C39 C38 120.8(5) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 H39 119.6 . . ?
C39 C40 C41 120.3(5) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C36 C41 C40 120.3(5) . . ?
C36 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?

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
C6 N1 C2 C3 1.3(6) . . . . ?
Pt1 N1 C2 C3 172.4(3) . . . . ?
N1 C2 C3 C4 -0.5(7) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
C3 C4 C5 C6 -0.1(7) . . . . ?
C2 N1 C6 C5 -1.5(6) . . . . ?
Pt1 N1 C6 C5 -173.5(3) . . . . ?
C2 N1 C6 C7 174.9(4) . . . . ?
Pt1 N1 C6 C7 3.0(4) . . . . ?
C4 C5 C6 N1 1.0(7) . . . . ?
C4 C5 C6 C7 -175.1(4) . . . . ?
N1 C6 C7 C8 172.0(4) . . . . ?
C5 C6 C7 C8 -11.7(6) . . . . ?
N1 C6 C7 C12 -8.0(5) . . . . ?
C5 C6 C7 C12 168.2(4) . . . . ?
C12 C7 C8 C9 -2.6(6) . . . . ?
C6 C7 C8 C9 177.4(4) . . . . ?
C7 C8 C9 C10 0.8(7) . . . . ?
C8 C9 C10 C11 0.9(7) . . . . ?
C9 C10 C11 C12 -1.0(7) . . . . ?
C10 C11 C12 C7 -0.7(6) . . . . ?
C10 C11 C12 Pt1 171.4(3) . . . . ?
C8 C7 C12 C11 2.4(6) . . . . ?
C6 C7 C12 C11 -177.5(4) . . . . ?
C8 C7 C12 Pt1 -171.0(3) . . . . ?
C6 C7 C12 Pt1 9.0(5) . . . . ?
C20 P13 C14 C19 -178.0(3) . . . . ?
C26 P13 C14 C19 -67.0(4) . . . . ?
Pt1 P13 C14 C19 50.3(4) . . . . ?
C20 P13 C14 C15 0.7(4) . . . . ?
C26 P13 C14 C15 111.6(4) . . . . ?
Pt1 P13 C14 C15 -131.0(3) . . . . ?
C19 C14 C15 C16 0.5(7) . . . . ?
P13 C14 C15 C16 -178.1(4) . . . . ?
C14 C15 C16 C17 0.1(9) . . . . ?
C15 C16 C17 C18 0.6(10) . . . . ?
C16 C17 C18 C19 -1.9(9) . . . . ?
C15 C14 C19 C18 -1.7(7) . . . . ?
P13 C14 C19 C18 176.9(4) . . . . ?
C17 C18 C19 C14 2.4(8) . . . . ?
C14 P13 C20 C21 -112.2(4) . . . . ?
C26 P13 C20 C21 142.1(3) . . . . ?
Pt1 P13 C20 C21 16.4(4) . . . . ?
C14 P13 C20 C25 69.5(5) . . . . ?
C26 P13 C20 C25 -36.2(5) . . . . ?
Pt1 P13 C20 C25 -161.9(4) . . . . ?
C25 C20 C21 C22 -1.8(7) . . . . ?
P13 C20 C21 C22 179.8(3) . . . . ?
C20 C21 C22 C23 1.8(7) . . . . ?
C21 C22 C23 C24 -0.6(9) . . . . ?
C22 C23 C24 C25 -0.5(10) . . . . ?
C21 C20 C25 C24 0.7(8) . . . . ?
P13 C20 C25 C24 179.0(5) . . . . ?
C23 C24 C25 C20 0.5(10) . . . . ?
C14 P13 C26 C27 -171.2(4) . . . . ?
C20 P13 C26 C27 -59.8(4) . . . . ?
Pt1 P13 C26 C27 70.2(4) . . . . ?
P13 C26 C27 C28 -22.8(6) . . . . ?
C26 C27 C28 P29 -47.8(6) . . . . ?
C27 C28 P29 C36 -57.7(4) . . . . ?
C27 C28 P29 C30 -170.0(3) . . . . ?
C27 C28 P29 Pt1 67.0(4) . . . . ?
C28 P29 C30 C35 37.2(6) . . . . ?
C36 P29 C30 C35 -71.4(6) . . . . ?
Pt1 P29 C30 C35 160.8(5) . . . . ?
C28 P29 C30 C31 -141.9(4) . . . . ?
C36 P29 C30 C31 109.4(4) . . . . ?
Pt1 P29 C30 C31 -18.3(5) . . . . ?
C35 C30 C31 C32 0.2(9) . . . . ?
P29 C30 C31 C32 179.4(4) . . . . ?
C30 C31 C32 C33 -0.8(9) . . . . ?
C31 C32 C33 C34 0.7(12) . . . . ?
C32 C33 C34 C35 -0.1(15) . . . . ?
C31 C30 C35 C34 0.3(11) . . . . ?
P29 C30 C35 C34 -178.8(7) . . . . ?
C33 C34 C35 C30 -0.5(15) . . . . ?
C28 P29 C36 C41 115.2(4) . . . . ?
C30 P29 C36 C41 -138.1(4) . . . . ?
Pt1 P29 C36 C41 -10.2(4) . . . . ?
C28 P29 C36 C37 -61.8(4) . . . . ?
C30 P29 C36 C37 44.9(5) . . . . ?
Pt1 P29 C36 C37 172.9(4) . . . . ?
C41 C36 C37 C38 0.4(8) . . . . ?
P29 C36 C37 C38 177.3(5) . . . . ?
C36 C37 C38 C39 -0.1(10) . . . . ?
C37 C38 C39 C40 -0.1(10) . . . . ?
C38 C39 C40 C41 0.1(9) . . . . ?
C37 C36 C41 C40 -0.4(7) . . . . ?
P29 C36 C41 C40 -177.4(4) . . . . ?
C39 C40 C41 C36 0.2(8) . . . . ?

_refine_diff_density_max         0.835
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.106

_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_5b
_database_code_depnum_ccdc_archive 'CCDC 1036688'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2015-07-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H20 Cl2 F20 N2 P2 Pt2'
_chemical_formula_sum            'C48 H20 Cl2 F20 N2 P2 Pt2'
_chemical_formula_weight         1527.68

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'
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'
P P 0.2955 0.4335 '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'

_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                   17.2534(5)
_cell_length_b                   20.9469(6)
_cell_length_c                   14.8092(4)
_cell_angle_alpha                90
_cell_angle_beta                 119.410(2)
_cell_angle_gamma                90
_cell_volume                     4662.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    12438
_cell_measurement_theta_min      3.4230
_cell_measurement_theta_max      75.5671

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.176
_exptl_crystal_F_000             2888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    13.871
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.15895
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21t (release 14-08-2012 CrysAlis171 .NET)
(compiled Aug 14 2012,18:12:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_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            17640
_diffrn_reflns_av_unetI/netI     0.0137
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.619
_diffrn_reflns_theta_max         75.743
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4741
_reflns_number_gt                4478
_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 (Oxford Diffraction (2009))'
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_molecular_graphics    
; 
SHELXTL (Sheldrick, 2008), Mercury (Macrae et al., 2008)
;
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2008)'

_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)+(0.0394P)²+2.3379P] 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         4741
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0201
_refine_ls_R_factor_gt           0.0188
_refine_ls_wR_factor_ref         0.0573
_refine_ls_wR_factor_gt          0.0561
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_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 0.94618(2) 0.18623(2) 0.06211(2) 0.04251(5) Uani 1 1 d . . . . .
Cl1 Cl 0.82148(5) 0.24484(4) -0.06586(6) 0.0682(2) Uani 1 1 d . . . . .
N1 N 0.87830(16) 0.10016(11) 0.01868(17) 0.0499(5) Uani 1 1 d . . . . .
C2 C 0.7908(2) 0.09386(16) -0.0493(2) 0.0603(7) Uani 1 1 d . . . . .
H2 H 0.7562 0.1303 -0.0762 0.072 Uiso 1 1 calc R U . . .
C3 C 0.7514(2) 0.03502(18) -0.0799(3) 0.0707(9) Uani 1 1 d . . . . .
H3 H 0.6907 0.0316 -0.1259 0.085 Uiso 1 1 calc R U . . .
C4 C 0.8025(3) -0.01829(19) -0.0418(3) 0.0806(11) Uani 1 1 d . . . . .
H4 H 0.7773 -0.0585 -0.0636 0.097 Uiso 1 1 calc R U . . .
C5 C 0.8915(3) -0.01259(16) 0.0287(3) 0.0723(9) Uani 1 1 d . . . . .
H5 H 0.9266 -0.0489 0.0549 0.087 Uiso 1 1 calc R U . . .
C6 C 0.9287(2) 0.04767(14) 0.0609(2) 0.0535(6) Uani 1 1 d . . . . .
C7 C 1.02019(19) 0.06194(13) 0.1406(2) 0.0511(6) Uani 1 1 d . . . . .
C8 C 1.0809(2) 0.01426(16) 0.1981(3) 0.0684(8) Uani 1 1 d . . . . .
H8 H 1.0649 -0.0284 0.1825 0.082 Uiso 1 1 calc R U . . .
C9 C 1.1640(2) 0.02954(17) 0.2771(3) 0.0702(9) Uani 1 1 d . . . . .
H9 H 1.2045 -0.0025 0.3145 0.084 Uiso 1 1 calc R U . . .
C10 C 1.1868(2) 0.09294(15) 0.3008(2) 0.0596(7) Uani 1 1 d . . . . .
H10 H 1.2425 0.1037 0.3555 0.072 Uiso 1 1 calc R U . . .
C11 C 1.12732(18) 0.14062(14) 0.2436(2) 0.0497(6) Uani 1 1 d . . . . .
H11 H 1.1442 0.1830 0.2607 0.060 Uiso 1 1 calc R U . . .
C12 C 1.04268(17) 0.12717(12) 0.1610(2) 0.0446(5) Uani 1 1 d . . . . .
P13 P 1.02641(4) 0.27394(3) 0.11845(5) 0.04177(13) Uani 1 1 d . . . . .
C14 C 1.13859(17) 0.27367(12) 0.13237(19) 0.0457(5) Uani 1 1 d . . . . .
C15 C 1.17010(19) 0.22565(13) 0.0937(2) 0.0496(6) Uani 1 1 d . . . . .
F15 F 1.11693(13) 0.17862(8) 0.03504(15) 0.0620(4) Uani 1 1 d . . . . .
C16 C 1.2561(2) 0.22493(15) 0.1105(2) 0.0565(7) Uani 1 1 d . . . . .
F16 F 1.28230(15) 0.17765(9) 0.07102(18) 0.0717(5) Uani 1 1 d . . . . .
C17 C 1.3137(2) 0.27342(17) 0.1659(3) 0.0614(7) Uani 1 1 d . . . . .
F17 F 1.39622(13) 0.27262(12) 0.1808(2) 0.0890(6) Uani 1 1 d . . . . .
C18 C 1.2843(2) 0.32298(15) 0.2015(3) 0.0616(8) Uani 1 1 d . . . . .
F18 F 1.33919(14) 0.37082(11) 0.2537(2) 0.0871(6) Uani 1 1 d . . . . .
C19 C 1.1980(2) 0.32287(13) 0.1836(2) 0.0505(6) Uani 1 1 d . . . . .
F19 F 1.17209(12) 0.37336(8) 0.21808(15) 0.0635(4) Uani 1 1 d . . . . .
C20 C 0.98184(17) 0.34395(13) 0.0321(2) 0.0481(6) Uani 1 1 d . . . . .
C21 C 0.9703(2) 0.33767(16) -0.0667(2) 0.0596(7) Uani 1 1 d . . . . .
F21 F 0.99446(16) 0.28315(10) -0.09381(14) 0.0765(5) Uani 1 1 d . . . . .
C22 C 0.9340(2) 0.38512(19) -0.1404(2) 0.0681(9) Uani 1 1 d . . . . .
F22 F 0.92248(18) 0.37600(14) -0.23574(15) 0.0998(8) Uani 1 1 d . . . . .
C23 C 0.9094(2) 0.44167(16) -0.1153(3) 0.0655(8) Uani 1 1 d . . . . .
F23 F 0.87641(15) 0.48866(11) -0.18487(18) 0.0945(7) Uani 1 1 d . . . . .
C24 C 0.91955(19) 0.45040(14) -0.0190(3) 0.0585(7) Uani 1 1 d . . . . .
F24 F 0.89587(14) 0.50554(9) 0.00614(19) 0.0787(6) Uani 1 1 d . . . . .
C25 C 0.95644(18) 0.40207(14) 0.0541(2) 0.0507(6) Uani 1 1 d . . . . .
F25 F 0.96621(13) 0.41445(8) 0.14744(14) 0.0645(4) Uani 1 1 d . . . . .
C26 C 1.04351(17) 0.29510(13) 0.24775(19) 0.0453(5) Uani 1 1 d . . . . .
H26A H 1.0846 0.2649 0.2982 0.054 Uiso 1 1 calc R U . . .
H26B H 1.0704 0.3371 0.2665 0.054 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 C12 2.013(3) . ?
Pt1 N1 2.073(2) . ?
Pt1 P13 2.2029(6) . ?
Pt1 Cl1 2.3923(7) . ?
N1 C2 1.349(4) . ?
N1 C6 1.350(4) . ?
C2 C3 1.372(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.362(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.374(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.464(4) . ?
C7 C8 1.394(4) . ?
C7 C12 1.412(4) . ?
C8 C9 1.371(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.381(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.384(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.398(4) . ?
C11 H11 0.9300 . ?
P13 C26 1.843(3) . ?
P13 C14 1.843(3) . ?
P13 C20 1.847(3) . ?
C14 C19 1.387(4) . ?
C14 C15 1.393(4) . ?
C15 F15 1.336(3) . ?
C15 C16 1.378(4) . ?
C16 F16 1.337(3) . ?
C16 C17 1.375(5) . ?
C17 F17 1.330(3) . ?
C17 C18 1.370(5) . ?
C18 F18 1.334(4) . ?
C18 C19 1.378(4) . ?
C19 F19 1.343(3) . ?
C20 C21 1.382(4) . ?
C20 C25 1.386(4) . ?
C21 F21 1.343(4) . ?
C21 C22 1.379(4) . ?
C22 F22 1.339(4) . ?
C22 C23 1.369(5) . ?
C23 F23 1.333(3) . ?
C23 C24 1.362(5) . ?
C24 F24 1.337(4) . ?
C24 C25 1.388(4) . ?
C25 F25 1.333(3) . ?
C26 C26 1.536(5) 2_755 ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?

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
C12 Pt1 N1 80.24(10) . . ?
C12 Pt1 P13 95.49(8) . . ?
N1 Pt1 P13 175.66(7) . . ?
C12 Pt1 Cl1 172.95(8) . . ?
N1 Pt1 Cl1 92.82(7) . . ?
P13 Pt1 Cl1 91.46(2) . . ?
C2 N1 C6 119.8(3) . . ?
C2 N1 Pt1 124.9(2) . . ?
C6 N1 Pt1 115.30(18) . . ?
N1 C2 C3 121.7(3) . . ?
N1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 119.0(3) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 119.7(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
N1 C6 C5 119.8(3) . . ?
N1 C6 C7 113.7(2) . . ?
C5 C6 C7 126.5(3) . . ?
C8 C7 C12 121.2(3) . . ?
C8 C7 C6 122.3(3) . . ?
C12 C7 C6 116.4(2) . . ?
C9 C8 C7 120.7(3) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 119.3(3) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C9 C10 C11 120.3(3) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 122.2(3) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C7 116.2(2) . . ?
C11 C12 Pt1 130.4(2) . . ?
C7 C12 Pt1 113.40(19) . . ?
C26 P13 C14 105.13(12) . . ?
C26 P13 C20 109.17(12) . . ?
C14 P13 C20 97.88(12) . . ?
C26 P13 Pt1 110.14(9) . . ?
C14 P13 Pt1 118.03(8) . . ?
C20 P13 Pt1 115.43(9) . . ?
C19 C14 C15 115.4(2) . . ?
C19 C14 P13 120.8(2) . . ?
C15 C14 P13 123.8(2) . . ?
F15 C15 C16 116.4(3) . . ?
F15 C15 C14 121.2(2) . . ?
C16 C15 C14 122.4(3) . . ?
F16 C16 C17 120.5(3) . . ?
F16 C16 C15 119.6(3) . . ?
C17 C16 C15 119.9(3) . . ?
F17 C17 C18 121.0(3) . . ?
F17 C17 C16 119.4(3) . . ?
C18 C17 C16 119.6(3) . . ?
F18 C18 C17 120.0(3) . . ?
F18 C18 C19 120.4(3) . . ?
C17 C18 C19 119.6(3) . . ?
F19 C19 C18 117.1(3) . . ?
F19 C19 C14 119.9(3) . . ?
C18 C19 C14 123.0(3) . . ?
C21 C20 C25 115.8(3) . . ?
C21 C20 P13 116.9(2) . . ?
C25 C20 P13 127.3(2) . . ?
F21 C21 C22 117.6(3) . . ?
F21 C21 C20 119.5(3) . . ?
C22 C21 C20 122.9(3) . . ?
F22 C22 C23 120.3(3) . . ?
F22 C22 C21 120.4(4) . . ?
C23 C22 C21 119.3(3) . . ?
F23 C23 C24 119.8(3) . . ?
F23 C23 C22 120.0(3) . . ?
C24 C23 C22 120.2(3) . . ?
F24 C24 C23 120.5(3) . . ?
F24 C24 C25 119.9(3) . . ?
C23 C24 C25 119.6(3) . . ?
F25 C25 C20 121.4(2) . . ?
F25 C25 C24 116.3(3) . . ?
C20 C25 C24 122.3(3) . . ?
C26 C26 P13 112.6(2) 2_755 . ?
C26 C26 H26A 109.1 2_755 . ?
P13 C26 H26A 109.1 . . ?
C26 C26 H26B 109.1 2_755 . ?
P13 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 N1 C2 C3 -2.2(5) . . . . ?
Pt1 N1 C2 C3 175.4(2) . . . . ?
N1 C2 C3 C4 -1.2(5) . . . . ?
C2 C3 C4 C5 2.2(6) . . . . ?
C3 C4 C5 C6 0.0(6) . . . . ?
C2 N1 C6 C5 4.4(4) . . . . ?
Pt1 N1 C6 C5 -173.4(2) . . . . ?
C2 N1 C6 C7 -174.4(3) . . . . ?
Pt1 N1 C6 C7 7.8(3) . . . . ?
C4 C5 C6 N1 -3.4(5) . . . . ?
C4 C5 C6 C7 175.2(3) . . . . ?
N1 C6 C7 C8 175.7(3) . . . . ?
C5 C6 C7 C8 -2.9(5) . . . . ?
N1 C6 C7 C12 -0.7(4) . . . . ?
C5 C6 C7 C12 -179.3(3) . . . . ?
C12 C7 C8 C9 1.0(5) . . . . ?
C6 C7 C8 C9 -175.3(3) . . . . ?
C7 C8 C9 C10 1.0(5) . . . . ?
C8 C9 C10 C11 -1.6(5) . . . . ?
C9 C10 C11 C12 0.3(5) . . . . ?
C10 C11 C12 C7 1.6(4) . . . . ?
C10 C11 C12 Pt1 -177.0(2) . . . . ?
C8 C7 C12 C11 -2.2(4) . . . . ?
C6 C7 C12 C11 174.3(2) . . . . ?
C8 C7 C12 Pt1 176.6(2) . . . . ?
C6 C7 C12 Pt1 -6.9(3) . . . . ?
C26 P13 C14 C19 -45.7(2) . . . . ?
C20 P13 C14 C19 66.7(2) . . . . ?
Pt1 P13 C14 C19 -168.97(18) . . . . ?
C26 P13 C14 C15 134.3(2) . . . . ?
C20 P13 C14 C15 -113.3(2) . . . . ?
Pt1 P13 C14 C15 11.1(2) . . . . ?
C19 C14 C15 F15 -174.0(2) . . . . ?
P13 C14 C15 F15 6.0(4) . . . . ?
C19 C14 C15 C16 3.8(4) . . . . ?
P13 C14 C15 C16 -176.2(2) . . . . ?
F15 C15 C16 F16 -1.8(4) . . . . ?
C14 C15 C16 F16 -179.8(2) . . . . ?
F15 C15 C16 C17 176.9(3) . . . . ?
C14 C15 C16 C17 -1.1(4) . . . . ?
F16 C16 C17 F17 -0.7(4) . . . . ?
C15 C16 C17 F17 -179.3(3) . . . . ?
F16 C16 C17 C18 176.9(3) . . . . ?
C15 C16 C17 C18 -1.7(5) . . . . ?
F17 C17 C18 F18 -1.2(5) . . . . ?
C16 C17 C18 F18 -178.8(3) . . . . ?
F17 C17 C18 C19 179.1(3) . . . . ?
C16 C17 C18 C19 1.5(5) . . . . ?
F18 C18 C19 F19 1.8(4) . . . . ?
C17 C18 C19 F19 -178.5(3) . . . . ?
F18 C18 C19 C14 -178.2(3) . . . . ?
C17 C18 C19 C14 1.5(5) . . . . ?
C15 C14 C19 F19 175.9(2) . . . . ?
P13 C14 C19 F19 -4.1(4) . . . . ?
C15 C14 C19 C18 -4.1(4) . . . . ?
P13 C14 C19 C18 175.9(2) . . . . ?
C26 P13 C20 C21 176.0(2) . . . . ?
C14 P13 C20 C21 67.0(3) . . . . ?
Pt1 P13 C20 C21 -59.3(3) . . . . ?
C26 P13 C20 C25 -5.6(3) . . . . ?
C14 P13 C20 C25 -114.7(3) . . . . ?
Pt1 P13 C20 C25 119.0(2) . . . . ?
C25 C20 C21 F21 179.0(3) . . . . ?
P13 C20 C21 F21 -2.5(4) . . . . ?
C25 C20 C21 C22 -1.5(5) . . . . ?
P13 C20 C21 C22 177.1(3) . . . . ?
F21 C21 C22 F22 1.0(5) . . . . ?
C20 C21 C22 F22 -178.6(3) . . . . ?
F21 C21 C22 C23 -179.2(3) . . . . ?
C20 C21 C22 C23 1.2(5) . . . . ?
F22 C22 C23 F23 -2.0(5) . . . . ?
C21 C22 C23 F23 178.2(3) . . . . ?
F22 C22 C23 C24 178.7(3) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
F23 C23 C24 F24 0.6(4) . . . . ?
C22 C23 C24 F24 179.9(3) . . . . ?
F23 C23 C24 C25 -178.1(3) . . . . ?
C22 C23 C24 C25 1.2(5) . . . . ?
C21 C20 C25 F25 -178.5(3) . . . . ?
P13 C20 C25 F25 3.2(4) . . . . ?
C21 C20 C25 C24 1.6(4) . . . . ?
P13 C20 C25 C24 -176.7(2) . . . . ?
F24 C24 C25 F25 -0.2(4) . . . . ?
C23 C24 C25 F25 178.5(3) . . . . ?
F24 C24 C25 C20 179.8(3) . . . . ?
C23 C24 C25 C20 -1.6(4) . . . . ?
C14 P13 C26 C26 -177.73(10) . . . 2_755 ?
C20 P13 C26 C26 78.13(12) . . . 2_755 ?
Pt1 P13 C26 C26 -49.59(10) . . . 2_755 ?

_refine_diff_density_max         0.741
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.062

_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_5d
_database_code_depnum_ccdc_archive 'CCDC 1036689'
_audit_update_record             
;
2015-07-24 deposited with the CCDC.
2015-07-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H38 Cl2 N2 P2 Pt2, C H2 Cl2'
_chemical_formula_sum            'C48 H40 Cl4 N2 P2 Pt2'
_chemical_formula_weight         1238.74


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'
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'
P P 0.2955 0.4335 '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                   11.6207(8)
_cell_length_b                   18.9657(12)
_cell_length_c                   20.2375(15)
_cell_angle_alpha                90
_cell_angle_beta                 96.179(7)
_cell_angle_gamma                90
_cell_volume                     4434.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    13306
_cell_measurement_theta_min      2.3180
_cell_measurement_theta_max      75.5480

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_F_000             2384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    14.812
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.223
_exptl_absorpt_correction_T_max  0.447
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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_special_details           
;
 ?
;

_diffrn_ambient_temperature      295(2)
_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            18000
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.202
_diffrn_reflns_theta_max         75.744
_diffrn_reflns_theta_full        70.000
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8977
_reflns_number_gt                8358
_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 (Oxford Diffraction (2009))'
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
_computing_molecular_graphics    
; 
SHELXTL (Sheldrick, 2008), Mercury (Macrae et al., 2008)
;
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2008)'

_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)+(0.0756P)²+1.2230P] 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         8977
_refine_ls_number_parameters     523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0371
_refine_ls_wR_factor_ref         0.1059
_refine_ls_wR_factor_gt          0.1034
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_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
Pt1A Pt 0.93584(2) 0.08664(2) 0.34616(2) 0.03229(8) Uani 1 1 d . . . . .
Cl1A Cl 0.80164(13) 0.15333(9) 0.40386(6) 0.0518(3) Uani 1 1 d . . . . .
N1A N 0.9323(5) 0.0008(2) 0.4106(2) 0.0483(12) Uani 1 1 d . . . . .
C2A C 0.8517(7) -0.0096(4) 0.4520(3) 0.0601(18) Uani 1 1 d . . . . .
H2A H 0.7971 0.0253 0.4570 0.072 Uiso 1 1 calc R U . . .
C3A C 0.8485(10) -0.0725(5) 0.4880(4) 0.083(3) Uani 1 1 d . . . . .
H3A H 0.7918 -0.0797 0.5164 0.100 Uiso 1 1 calc R U . . .
C4A C 0.9296(12) -0.1230(4) 0.4809(4) 0.091(4) Uani 1 1 d . . . . .
H4A H 0.9293 -0.1644 0.5054 0.109 Uiso 1 1 calc R U . . .
C5A C 1.0121(10) -0.1132(4) 0.4376(4) 0.080(3) Uani 1 1 d . . . . .
H5A H 1.0667 -0.1479 0.4320 0.096 Uiso 1 1 calc R U . . .
C6A C 1.0119(7) -0.0495(3) 0.4022(3) 0.0566(18) Uani 1 1 d . . . . .
C7A C 1.0959(6) -0.0299(3) 0.3574(3) 0.0498(14) Uani 1 1 d . . . . .
C8A C 1.1957(7) -0.0696(3) 0.3499(4) 0.070(2) Uani 1 1 d . . . . .
H8A H 1.2070 -0.1125 0.3719 0.084 Uiso 1 1 calc R U . . .
C9A C 1.2764(7) -0.0459(4) 0.3106(5) 0.080(3) Uani 1 1 d . . . . .
H9A H 1.3416 -0.0731 0.3056 0.096 Uiso 1 1 calc R U . . .
C10A C 1.2614(6) 0.0180(4) 0.2784(4) 0.068(2) Uani 1 1 d . . . . .
H10A H 1.3171 0.0345 0.2525 0.082 Uiso 1 1 calc R U . . .
C11A C 1.1615(5) 0.0579(3) 0.2848(3) 0.0497(13) Uani 1 1 d . . . . .
H11A H 1.1528 0.1012 0.2633 0.060 Uiso 1 1 calc R U . . .
C12A C 1.0750(5) 0.0348(3) 0.3223(3) 0.0420(11) Uani 1 1 d . . . . .
P13A P 0.92308(9) 0.16890(5) 0.26675(5) 0.0259(2) Uani 1 1 d . . . . .
C14A C 0.9692(4) 0.1474(3) 0.1854(2) 0.0316(8) Uani 1 1 d . . . . .
C15A C 1.0039(5) 0.1984(3) 0.1424(3) 0.0411(11) Uani 1 1 d . . . . .
H15A H 1.0097 0.2451 0.1563 0.049 Uiso 1 1 calc R U . . .
C16A C 1.0296(6) 0.1809(4) 0.0800(3) 0.0575(15) Uani 1 1 d . . . . .
H16A H 1.0520 0.2159 0.0518 0.069 Uiso 1 1 calc R U . . .
C17A C 1.0227(6) 0.1118(4) 0.0585(3) 0.0575(15) Uani 1 1 d . . . . .
H17A H 1.0410 0.1001 0.0163 0.069 Uiso 1 1 calc R U . . .
C18A C 0.9880(5) 0.0600(4) 0.1005(3) 0.0538(14) Uani 1 1 d . . . . .
H18A H 0.9817 0.0134 0.0863 0.065 Uiso 1 1 calc R U . . .
C19A C 0.9627(4) 0.0778(3) 0.1635(3) 0.0400(10) Uani 1 1 d . . . . .
H19A H 0.9410 0.0427 0.1917 0.048 Uiso 1 1 calc R U . . .
C20A C 1.0008(4) 0.2490(2) 0.2940(2) 0.0289(8) Uani 1 1 d . . . . .
C21A C 0.9760(4) 0.3150(3) 0.2655(2) 0.0355(9) Uani 1 1 d . . . . .
H21A H 0.9176 0.3196 0.2306 0.043 Uiso 1 1 calc R U . . .
C22A C 1.0391(5) 0.3741(3) 0.2894(3) 0.0438(12) Uani 1 1 d . . . . .
H22A H 1.0230 0.4180 0.2700 0.053 Uiso 1 1 calc R U . . .
C23A C 1.1259(6) 0.3677(3) 0.3422(3) 0.0505(14) Uani 1 1 d . . . . .
H23A H 1.1682 0.4070 0.3578 0.061 Uiso 1 1 calc R U . . .
C24A C 1.1488(5) 0.3023(3) 0.3712(3) 0.0496(13) Uani 1 1 d . . . . .
H24A H 1.2053 0.2981 0.4071 0.060 Uiso 1 1 calc R U . . .
C25A C 1.0879(5) 0.2429(3) 0.3469(3) 0.0406(11) Uani 1 1 d . . . . .
H25A H 1.1053 0.1991 0.3659 0.049 Uiso 1 1 calc R U . . .
C1 C 0.7736(3) 0.2003(2) 0.2475(2) 0.0279(8) Uani 1 1 d . . . . .
H1A H 0.7768 0.2429 0.2212 0.033 Uiso 1 1 calc R U . . .
H1B H 0.7462 0.2140 0.2892 0.033 Uiso 1 1 calc R U . . .
Pt1B Pt 0.68678(2) 0.12739(2) 0.09710(2) 0.02601(7) Uani 1 1 d . . . . .
Cl1B Cl 0.72469(14) 0.25151(6) 0.09327(6) 0.0470(3) Uani 1 1 d . . . . .
N1B N 0.7274(4) 0.1125(2) 0.0004(2) 0.0354(8) Uani 1 1 d . . . . .
C2B C 0.7675(5) 0.1626(3) -0.0382(3) 0.0470(12) Uani 1 1 d . . . . .
H2B H 0.7720 0.2088 -0.0228 0.056 Uiso 1 1 calc R U . . .
C3B C 0.8022(6) 0.1476(5) -0.1001(3) 0.0623(17) Uani 1 1 d . . . . .
H3B H 0.8287 0.1832 -0.1262 0.075 Uiso 1 1 calc R U . . .
C4B C 0.7966(7) 0.0803(4) -0.1214(4) 0.0667(19) Uani 1 1 d . . . . .
H4B H 0.8205 0.0691 -0.1625 0.080 Uiso 1 1 calc R U . . .
C5B C 0.7555(6) 0.0277(4) -0.0824(3) 0.0545(14) Uani 1 1 d . . . . .
H5B H 0.7516 -0.0188 -0.0972 0.065 Uiso 1 1 calc R U . . .
C6B C 0.7203(4) 0.0455(3) -0.0211(2) 0.0383(10) Uani 1 1 d . . . . .
C7B C 0.6688(4) -0.0028(3) 0.0234(3) 0.0382(10) Uani 1 1 d . . . . .
C8B C 0.6421(6) -0.0727(3) 0.0064(3) 0.0518(14) Uani 1 1 d . . . . .
H8B H 0.6682 -0.0922 -0.0315 0.062 Uiso 1 1 calc R U . . .
C9B C 0.5774(6) -0.1132(3) 0.0453(4) 0.0563(17) Uani 1 1 d . . . . .
H9B H 0.5590 -0.1596 0.0335 0.068 Uiso 1 1 calc R U . . .
C10B C 0.5399(6) -0.0838(3) 0.1025(4) 0.0557(17) Uani 1 1 d . . . . .
H10B H 0.4943 -0.1102 0.1284 0.067 Uiso 1 1 calc R U . . .
C11B C 0.5705(4) -0.0156(3) 0.1207(3) 0.0409(11) Uani 1 1 d . . . . .
H11B H 0.5453 0.0029 0.1592 0.049 Uiso 1 1 calc R U . . .
C12B C 0.6379(4) 0.0268(2) 0.0834(2) 0.0315(9) Uani 1 1 d . . . . .
P13B P 0.66203(9) 0.14324(6) 0.20397(5) 0.0255(2) Uani 1 1 d . . . . .
C14B C 0.5280(4) 0.1909(2) 0.2110(2) 0.0337(9) Uani 1 1 d . . . . .
C15B C 0.4330(6) 0.1702(5) 0.1682(4) 0.081(3) Uani 1 1 d . . . . .
H15B H 0.4414 0.1360 0.1362 0.097 Uiso 1 1 calc R U . . .
C16B C 0.3262(6) 0.2001(6) 0.1728(5) 0.093(3) Uani 1 1 d . . . . .
H16B H 0.2629 0.1853 0.1441 0.111 Uiso 1 1 calc R U . . .
C17B C 0.3115(5) 0.2512(4) 0.2187(4) 0.070(2) Uani 1 1 d . . . . .
H17B H 0.2393 0.2717 0.2207 0.084 Uiso 1 1 calc R U . . .
C18B C 0.4011(6) 0.2710(4) 0.2602(5) 0.078(3) Uani 1 1 d . . . . .
H18B H 0.3912 0.3054 0.2919 0.094 Uiso 1 1 calc R U . . .
C19B C 0.5107(6) 0.2413(4) 0.2574(4) 0.069(2) Uani 1 1 d . . . . .
H19B H 0.5724 0.2559 0.2874 0.083 Uiso 1 1 calc R U . . .
C20B C 0.6515(4) 0.0673(3) 0.2581(2) 0.0312(9) Uani 1 1 d . . . . .
C21B C 0.5738(5) 0.0661(3) 0.3061(3) 0.0440(11) Uani 1 1 d . . . . .
H21B H 0.5263 0.1047 0.3114 0.053 Uiso 1 1 calc R U . . .
C22B C 0.5683(6) 0.0071(4) 0.3454(3) 0.0570(15) Uani 1 1 d . . . . .
H22B H 0.5164 0.0063 0.3773 0.068 Uiso 1 1 calc R U . . .
C23B C 0.6367(6) -0.0498(3) 0.3386(3) 0.0565(15) Uani 1 1 d . . . . .
H23B H 0.6309 -0.0893 0.3653 0.068 Uiso 1 1 calc R U . . .
C24B C 0.7156(5) -0.0490(3) 0.2917(3) 0.0501(13) Uani 1 1 d . . . . .
H24B H 0.7629 -0.0879 0.2870 0.060 Uiso 1 1 calc R U . . .
C25B C 0.7235(4) 0.0095(3) 0.2522(2) 0.0361(9) Uani 1 1 d . . . . .
H25B H 0.7773 0.0104 0.2214 0.043 Uiso 1 1 calc R U . . .
C1S C 0.5248(11) 0.1690(7) 0.4758(6) 0.112(4) Uani 1 1 d . . . . .
H1S1 H 0.5290 0.2064 0.5086 0.134 Uiso 1 1 calc R U . . .
H1S2 H 0.5893 0.1749 0.4496 0.134 Uiso 1 1 calc R U . . .
Cl1S Cl 0.5385(5) 0.0893(2) 0.5161(2) 0.1608(19) Uani 1 1 d . . . . .
Cl2S Cl 0.3992(4) 0.1771(3) 0.4251(3) 0.1549(16) 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
Pt1A C12A 1.996(6) . ?
Pt1A N1A 2.090(4) . ?
Pt1A P13A 2.2333(10) . ?
Pt1A Cl1A 2.4055(15) . ?
N1A C2A 1.337(9) . ?
N1A C6A 1.352(9) . ?
C2A C3A 1.399(9) . ?
C2A H2A 0.9300 . ?
C3A C4A 1.362(17) . ?
C3A H3A 0.9300 . ?
C4A C5A 1.378(17) . ?
C4A H4A 0.9300 . ?
C5A C6A 1.405(9) . ?
C5A H5A 0.9300 . ?
C6A C7A 1.450(11) . ?
C7A C8A 1.404(10) . ?
C7A C12A 1.427(7) . ?
C8A C9A 1.369(14) . ?
C8A H8A 0.9300 . ?
C9A C10A 1.379(13) . ?
C9A H9A 0.9300 . ?
C10A C11A 1.404(8) . ?
C10A H10A 0.9300 . ?
C11A C12A 1.393(9) . ?
C11A H11A 0.9300 . ?
P13A C20A 1.823(4) . ?
P13A C14A 1.831(5) . ?
P13A C1 1.838(4) . ?
C14A C15A 1.388(7) . ?
C14A C19A 1.393(7) . ?
C15A C16A 1.371(8) . ?
C15A H15A 0.9300 . ?
C16A C17A 1.379(11) . ?
C16A H16A 0.9300 . ?
C17A C18A 1.387(10) . ?
C17A H17A 0.9300 . ?
C18A C19A 1.379(8) . ?
C18A H18A 0.9300 . ?
C19A H19A 0.9300 . ?
C20A C21A 1.394(7) . ?
C20A C25A 1.397(6) . ?
C21A C22A 1.397(7) . ?
C21A H21A 0.9300 . ?
C22A C23A 1.394(9) . ?
C22A H22A 0.9300 . ?
C23A C24A 1.385(9) . ?
C23A H23A 0.9300 . ?
C24A C25A 1.391(8) . ?
C24A H24A 0.9300 . ?
C25A H25A 0.9300 . ?
C1 P13B 1.839(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
Pt1B C12B 2.001(4) . ?
Pt1B N1B 2.081(4) . ?
Pt1B P13B 2.2325(10) . ?
Pt1B Cl1B 2.3976(12) . ?
N1B C6B 1.343(7) . ?
N1B C2B 1.344(7) . ?
C2B C3B 1.387(8) . ?
C2B H2B 0.9300 . ?
C3B C4B 1.346(12) . ?
C3B H3B 0.9300 . ?
C4B C5B 1.389(11) . ?
C4B H4B 0.9300 . ?
C5B C6B 1.390(7) . ?
C5B H5B 0.9300 . ?
C6B C7B 1.456(8) . ?
C7B C8B 1.398(8) . ?
C7B C12B 1.419(7) . ?
C8B C9B 1.379(11) . ?
C8B H8B 0.9300 . ?
C9B C10B 1.397(11) . ?
C9B H9B 0.9300 . ?
C10B C11B 1.383(8) . ?
C10B H10B 0.9300 . ?
C11B C12B 1.399(7) . ?
C11B H11B 0.9300 . ?
P13B C14B 1.820(5) . ?
P13B C20B 1.823(5) . ?
C14B C19B 1.371(8) . ?
C14B C15B 1.384(7) . ?
C15B C16B 1.377(9) . ?
C15B H15B 0.9300 . ?
C16B C17B 1.365(12) . ?
C16B H16B 0.9300 . ?
C17B C18B 1.321(10) . ?
C17B H17B 0.9300 . ?
C18B C19B 1.400(9) . ?
C18B H18B 0.9300 . ?
C19B H19B 0.9300 . ?
C20B C25B 1.392(7) . ?
C20B C21B 1.394(7) . ?
C21B C22B 1.378(9) . ?
C21B H21B 0.9300 . ?
C22B C23B 1.357(10) . ?
C22B H22B 0.9300 . ?
C23B C24B 1.389(10) . ?
C23B H23B 0.9300 . ?
C24B C25B 1.376(8) . ?
C24B H24B 0.9300 . ?
C25B H25B 0.9300 . ?
C1S Cl2S 1.698(12) . ?
C1S Cl1S 1.716(12) . ?
C1S H1S1 0.9700 . ?
C1S H1S2 0.9700 . ?

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
C12A Pt1A N1A 80.7(2) . . ?
C12A Pt1A P13A 99.35(17) . . ?
N1A Pt1A P13A 171.62(12) . . ?
C12A Pt1A Cl1A 163.94(14) . . ?
N1A Pt1A Cl1A 92.83(17) . . ?
P13A Pt1A Cl1A 89.18(4) . . ?
C2A N1A C6A 120.7(6) . . ?
C2A N1A Pt1A 124.7(5) . . ?
C6A N1A Pt1A 114.2(4) . . ?
N1A C2A C3A 120.7(9) . . ?
N1A C2A H2A 119.6 . . ?
C3A C2A H2A 119.6 . . ?
C4A C3A C2A 119.1(10) . . ?
C4A C3A H3A 120.4 . . ?
C2A C3A H3A 120.4 . . ?
C3A C4A C5A 120.6(7) . . ?
C3A C4A H4A 119.7 . . ?
C5A C4A H4A 119.7 . . ?
C4A C5A C6A 118.5(9) . . ?
C4A C5A H5A 120.8 . . ?
C6A C5A H5A 120.8 . . ?
N1A C6A C5A 120.3(8) . . ?
N1A C6A C7A 114.5(5) . . ?
C5A C6A C7A 125.1(8) . . ?
C8A C7A C12A 120.4(7) . . ?
C8A C7A C6A 123.4(6) . . ?
C12A C7A C6A 116.2(6) . . ?
C9A C8A C7A 120.9(7) . . ?
C9A C8A H8A 119.6 . . ?
C7A C8A H8A 119.6 . . ?
C8A C9A C10A 120.2(7) . . ?
C8A C9A H9A 119.9 . . ?
C10A C9A H9A 119.9 . . ?
C9A C10A C11A 119.6(8) . . ?
C9A C10A H10A 120.2 . . ?
C11A C10A H10A 120.2 . . ?
C12A C11A C10A 122.2(6) . . ?
C12A C11A H11A 118.9 . . ?
C10A C11A H11A 118.9 . . ?
C11A C12A C7A 116.6(5) . . ?
C11A C12A Pt1A 128.9(4) . . ?
C7A C12A Pt1A 113.7(5) . . ?
C20A P13A C14A 105.9(2) . . ?
C20A P13A C1 102.7(2) . . ?
C14A P13A C1 104.1(2) . . ?
C20A P13A Pt1A 111.86(14) . . ?
C14A P13A Pt1A 119.23(16) . . ?
C1 P13A Pt1A 111.52(15) . . ?
C15A C14A C19A 118.0(5) . . ?
C15A C14A P13A 122.8(4) . . ?
C19A C14A P13A 119.1(4) . . ?
C16A C15A C14A 121.1(6) . . ?
C16A C15A H15A 119.5 . . ?
C14A C15A H15A 119.5 . . ?
C15A C16A C17A 120.6(6) . . ?
C15A C16A H16A 119.7 . . ?
C17A C16A H16A 119.7 . . ?
C16A C17A C18A 119.4(6) . . ?
C16A C17A H17A 120.3 . . ?
C18A C17A H17A 120.3 . . ?
C19A C18A C17A 119.9(6) . . ?
C19A C18A H18A 120.1 . . ?
C17A C18A H18A 120.1 . . ?
C18A C19A C14A 121.1(5) . . ?
C18A C19A H19A 119.5 . . ?
C14A C19A H19A 119.5 . . ?
C21A C20A C25A 119.5(4) . . ?
C21A C20A P13A 123.3(3) . . ?
C25A C20A P13A 117.2(4) . . ?
C20A C21A C22A 120.0(5) . . ?
C20A C21A H21A 120.0 . . ?
C22A C21A H21A 120.0 . . ?
C23A C22A C21A 120.3(5) . . ?
C23A C22A H22A 119.9 . . ?
C21A C22A H22A 119.9 . . ?
C24A C23A C22A 119.6(5) . . ?
C24A C23A H23A 120.2 . . ?
C22A C23A H23A 120.2 . . ?
C23A C24A C25A 120.5(5) . . ?
C23A C24A H24A 119.7 . . ?
C25A C24A H24A 119.7 . . ?
C24A C25A C20A 120.2(5) . . ?
C24A C25A H25A 119.9 . . ?
C20A C25A H25A 119.9 . . ?
P13A C1 P13B 120.8(2) . . ?
P13A C1 H1A 107.1 . . ?
P13B C1 H1A 107.1 . . ?
P13A C1 H1B 107.1 . . ?
P13B C1 H1B 107.1 . . ?
H1A C1 H1B 106.8 . . ?
C12B Pt1B N1B 80.23(19) . . ?
C12B Pt1B P13B 101.43(14) . . ?
N1B Pt1B P13B 174.32(12) . . ?
C12B Pt1B Cl1B 169.06(13) . . ?
N1B Pt1B Cl1B 92.38(13) . . ?
P13B Pt1B Cl1B 86.70(4) . . ?
C6B N1B C2B 119.6(5) . . ?
C6B N1B Pt1B 114.9(4) . . ?
C2B N1B Pt1B 125.4(4) . . ?
N1B C2B C3B 122.3(6) . . ?
N1B C2B H2B 118.9 . . ?
C3B C2B H2B 118.9 . . ?
C4B C3B C2B 118.3(7) . . ?
C4B C3B H3B 120.8 . . ?
C2B C3B H3B 120.8 . . ?
C3B C4B C5B 120.5(6) . . ?
C3B C4B H4B 119.7 . . ?
C5B C4B H4B 119.7 . . ?
C4B C5B C6B 119.0(6) . . ?
C4B C5B H5B 120.5 . . ?
C6B C5B H5B 120.5 . . ?
N1B C6B C5B 120.4(5) . . ?
N1B C6B C7B 114.2(4) . . ?
C5B C6B C7B 125.4(5) . . ?
C8B C7B C12B 121.1(5) . . ?
C8B C7B C6B 122.7(5) . . ?
C12B C7B C6B 116.0(4) . . ?
C9B C8B C7B 120.6(6) . . ?
C9B C8B H8B 119.7 . . ?
C7B C8B H8B 119.7 . . ?
C8B C9B C10B 119.3(5) . . ?
C8B C9B H9B 120.4 . . ?
C10B C9B H9B 120.4 . . ?
C11B C10B C9B 120.0(6) . . ?
C11B C10B H10B 120.0 . . ?
C9B C10B H10B 120.0 . . ?
C10B C11B C12B 122.5(6) . . ?
C10B C11B H11B 118.8 . . ?
C12B C11B H11B 118.8 . . ?
C11B C12B C7B 116.3(4) . . ?
C11B C12B Pt1B 129.8(4) . . ?
C7B C12B Pt1B 113.7(3) . . ?
C14B P13B C20B 103.5(2) . . ?
C14B P13B C1 103.6(2) . . ?
C20B P13B C1 105.4(2) . . ?
C14B P13B Pt1B 110.06(16) . . ?
C20B P13B Pt1B 120.02(16) . . ?
C1 P13B Pt1B 112.68(15) . . ?
C19B C14B C15B 117.5(5) . . ?
C19B C14B P13B 126.1(4) . . ?
C15B C14B P13B 116.2(4) . . ?
C16B C15B C14B 120.4(7) . . ?
C16B C15B H15B 119.8 . . ?
C14B C15B H15B 119.8 . . ?
C17B C16B C15B 121.1(7) . . ?
C17B C16B H16B 119.4 . . ?
C15B C16B H16B 119.4 . . ?
C18B C17B C16B 119.2(6) . . ?
C18B C17B H17B 120.4 . . ?
C16B C17B H17B 120.4 . . ?
C17B C18B C19B 121.3(6) . . ?
C17B C18B H18B 119.4 . . ?
C19B C18B H18B 119.4 . . ?
C14B C19B C18B 120.6(6) . . ?
C14B C19B H19B 119.7 . . ?
C18B C19B H19B 119.7 . . ?
C25B C20B C21B 119.2(5) . . ?
C25B C20B P13B 119.4(4) . . ?
C21B C20B P13B 121.4(4) . . ?
C22B C21B C20B 119.2(6) . . ?
C22B C21B H21B 120.4 . . ?
C20B C21B H21B 120.4 . . ?
C23B C22B C21B 121.5(6) . . ?
C23B C22B H22B 119.2 . . ?
C21B C22B H22B 119.2 . . ?
C22B C23B C24B 119.9(5) . . ?
C22B C23B H23B 120.1 . . ?
C24B C23B H23B 120.1 . . ?
C25B C24B C23B 119.7(6) . . ?
C25B C24B H24B 120.1 . . ?
C23B C24B H24B 120.1 . . ?
C24B C25B C20B 120.5(5) . . ?
C24B C25B H25B 119.8 . . ?
C20B C25B H25B 119.8 . . ?
Cl2S C1S Cl1S 113.3(7) . . ?
Cl2S C1S H1S1 108.9 . . ?
Cl1S C1S H1S1 108.9 . . ?
Cl2S C1S H1S2 108.9 . . ?
Cl1S C1S H1S2 108.9 . . ?
H1S1 C1S H1S2 107.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6A N1A C2A C3A 0.5(8) . . . . ?
Pt1A N1A C2A C3A 172.8(4) . . . . ?
N1A C2A C3A C4A 0.7(10) . . . . ?
C2A C3A C4A C5A -1.6(11) . . . . ?
C3A C4A C5A C6A 1.2(11) . . . . ?
C2A N1A C6A C5A -0.8(8) . . . . ?
Pt1A N1A C6A C5A -173.8(4) . . . . ?
C2A N1A C6A C7A -178.1(5) . . . . ?
Pt1A N1A C6A C7A 8.9(5) . . . . ?
C4A C5A C6A N1A 0.0(10) . . . . ?
C4A C5A C6A C7A 177.0(6) . . . . ?
N1A C6A C7A C8A 169.8(5) . . . . ?
C5A C6A C7A C8A -7.4(9) . . . . ?
N1A C6A C7A C12A -7.6(7) . . . . ?
C5A C6A C7A C12A 175.2(5) . . . . ?
C12A C7A C8A C9A 2.2(9) . . . . ?
C6A C7A C8A C9A -175.1(6) . . . . ?
C7A C8A C9A C10A 0.8(11) . . . . ?
C8A C9A C10A C11A -1.5(11) . . . . ?
C9A C10A C11A C12A -0.9(10) . . . . ?
C10A C11A C12A C7A 3.7(8) . . . . ?
C10A C11A C12A Pt1A 172.7(5) . . . . ?
C8A C7A C12A C11A -4.3(8) . . . . ?
C6A C7A C12A C11A 173.2(5) . . . . ?
C8A C7A C12A Pt1A -175.0(4) . . . . ?
C6A C7A C12A Pt1A 2.5(6) . . . . ?
C20A P13A C14A C15A -29.1(4) . . . . ?
C1 P13A C14A C15A 78.8(4) . . . . ?
Pt1A P13A C14A C15A -156.2(3) . . . . ?
C20A P13A C14A C19A 155.1(4) . . . . ?
C1 P13A C14A C19A -97.0(4) . . . . ?
Pt1A P13A C14A C19A 28.0(4) . . . . ?
C19A C14A C15A C16A 0.8(8) . . . . ?
P13A C14A C15A C16A -175.1(4) . . . . ?
C14A C15A C16A C17A -0.6(9) . . . . ?
C15A C16A C17A C18A 0.7(10) . . . . ?
C16A C17A C18A C19A -1.1(10) . . . . ?
C17A C18A C19A C14A 1.3(9) . . . . ?
C15A C14A C19A C18A -1.1(8) . . . . ?
P13A C14A C19A C18A 174.9(4) . . . . ?
C14A P13A C20A C21A 71.4(4) . . . . ?
C1 P13A C20A C21A -37.4(4) . . . . ?
Pt1A P13A C20A C21A -157.2(4) . . . . ?
C14A P13A C20A C25A -109.6(4) . . . . ?
C1 P13A C20A C25A 141.6(4) . . . . ?
Pt1A P13A C20A C25A 21.8(4) . . . . ?
C25A C20A C21A C22A 0.7(8) . . . . ?
P13A C20A C21A C22A 179.6(4) . . . . ?
C20A C21A C22A C23A -0.7(9) . . . . ?
C21A C22A C23A C24A -0.5(10) . . . . ?
C22A C23A C24A C25A 1.7(10) . . . . ?
C23A C24A C25A C20A -1.7(10) . . . . ?
C21A C20A C25A C24A 0.5(8) . . . . ?
P13A C20A C25A C24A -178.5(5) . . . . ?
C20A P13A C1 P13B 169.5(3) . . . . ?
C14A P13A C1 P13B 59.2(3) . . . . ?
Pt1A P13A C1 P13B -70.6(3) . . . . ?
C6B N1B C2B C3B 0.0(9) . . . . ?
Pt1B N1B C2B C3B 174.3(5) . . . . ?
N1B C2B C3B C4B -0.8(11) . . . . ?
C2B C3B C4B C5B 0.9(12) . . . . ?
C3B C4B C5B C6B 0.0(11) . . . . ?
C2B N1B C6B C5B 0.9(8) . . . . ?
Pt1B N1B C6B C5B -174.0(4) . . . . ?
C2B N1B C6B C7B -176.3(5) . . . . ?
Pt1B N1B C6B C7B 8.8(5) . . . . ?
C4B C5B C6B N1B -0.9(9) . . . . ?
C4B C5B C6B C7B 176.0(6) . . . . ?
N1B C6B C7B C8B 172.7(5) . . . . ?
C5B C6B C7B C8B -4.3(8) . . . . ?
N1B C6B C7B C12B -2.3(6) . . . . ?
C5B C6B C7B C12B -179.3(5) . . . . ?
C12B C7B C8B C9B 4.9(8) . . . . ?
C6B C7B C8B C9B -169.8(5) . . . . ?
C7B C8B C9B C10B -0.8(9) . . . . ?
C8B C9B C10B C11B -1.9(9) . . . . ?
C9B C10B C11B C12B 0.6(8) . . . . ?
C10B C11B C12B C7B 3.2(7) . . . . ?
C10B C11B C12B Pt1B 176.9(4) . . . . ?
C8B C7B C12B C11B -5.9(7) . . . . ?
C6B C7B C12B C11B 169.2(4) . . . . ?
C8B C7B C12B Pt1B 179.4(4) . . . . ?
C6B C7B C12B Pt1B -5.6(5) . . . . ?
P13A C1 P13B C14B 169.7(3) . . . . ?
P13A C1 P13B C20B 61.3(3) . . . . ?
P13A C1 P13B Pt1B -71.4(3) . . . . ?
C20B P13B C14B C19B 88.3(7) . . . . ?
C1 P13B C14B C19B -21.5(7) . . . . ?
Pt1B P13B C14B C19B -142.3(6) . . . . ?
C20B P13B C14B C15B -86.6(6) . . . . ?
C1 P13B C14B C15B 163.5(6) . . . . ?
Pt1B P13B C14B C15B 42.8(7) . . . . ?
C19B C14B C15B C16B 0.4(15) . . . . ?
P13B C14B C15B C16B 175.8(9) . . . . ?
C14B C15B C16B C17B 0.9(18) . . . . ?
C15B C16B C17B C18B -1.4(18) . . . . ?
C16B C17B C18B C19B 0.7(16) . . . . ?
C15B C14B C19B C18B -1.0(13) . . . . ?
P13B C14B C19B C18B -175.9(7) . . . . ?
C17B C18B C19B C14B 0.5(16) . . . . ?
C14B P13B C20B C25B 163.2(4) . . . . ?
C1 P13B C20B C25B -88.3(4) . . . . ?
Pt1B P13B C20B C25B 40.2(4) . . . . ?
C14B P13B C20B C21B -17.6(5) . . . . ?
C1 P13B C20B C21B 90.9(4) . . . . ?
Pt1B P13B C20B C21B -140.6(4) . . . . ?
C25B C20B C21B C22B -1.5(8) . . . . ?
P13B C20B C21B C22B 179.4(5) . . . . ?
C20B C21B C22B C23B 0.0(10) . . . . ?
C21B C22B C23B C24B 0.8(10) . . . . ?
C22B C23B C24B C25B -0.2(10) . . . . ?
C23B C24B C25B C20B -1.2(8) . . . . ?
C21B C20B C25B C24B 2.0(7) . . . . ?
P13B C20B C25B C24B -178.8(4) . . . . ?

_refine_diff_density_max         1.630
_refine_diff_density_min         -2.470
_refine_diff_density_rms         0.173

_shelxl_version_number           2013-4

