#Supplementary Material (ESI) for Dalton Transactions
#This journal is (c) The Royal Society of Chemistry 2001

data_3 
_database_code_CSD            159100
_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Aucott, Stephen M.'
'Slawin, A.'
'Woollins, J.'

_publ_contact_author_name     	'Prof J Woollins'  
_publ_contact_author_address 
;
Prof J Woollins
Department of Chemistry
University of St Andrews
St Andrews
Fife
KY16 9ST
UNITED KINGDOM
;

_publ_contact_author_email       'J.D.WOOLLINS@ST-ANDREWS.AC.UK'

_publ_section_title
;
Synthesis of chelate complexes and the dichalcogen derivatives of
the unsymmetrical diphosphine ligand Ph2PNHC6H4PPh2. Molecular structure of
[PtCl2(Ph2PNHC6H4PPh2)].0.75dmso.0.75CHCl3
;
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
;
_chemical_name_common             ? 
_chemical_formula_moiety          
'C30 H25 Cl3 N  P2 Pt.[C H Cl3]0.75.[C2 H6 O S]0.75' 
_chemical_formula_structural      'C32.25 H30.25 Cl4.25 N O0.75 P2 Pt S0.75' 
_chemical_formula_analytical      'C32.25 H30.25 Cl4.25 N O0.75 P2 Pt S0.75' 
_chemical_formula_sum             'C32.25 H30.25 Cl4.25 N O0.75 P2 Pt S0.75' 
_chemical_formula_weight          875.56 
_chemical_melting_point           ? 
_chemical_compound_source         ?  

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' 
'O'  'O'   0.0106   0.0060 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'S'  'S'   0.1246   0.1234 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 

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

_cell_length_a                    12.2267(2) 
_cell_length_b                    21.7198(3) 
_cell_length_c                    14.1548(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  98.8060(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      3714.66(10) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     71 
_cell_measurement_theta_min       12 
_cell_measurement_theta_max       168 

_exptl_crystal_description        prism 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           .2 
_exptl_crystal_size_mid           .3 
_exptl_crystal_size_min           .4 
_exptl_crystal_density_meas       - 
_exptl_crystal_density_diffrn     1.566 
_exptl_crystal_density_method     - 
_exptl_crystal_F_000              1716 
_exptl_absorpt_coefficient_mu     4.236 
_exptl_absorpt_correction_type    sadabs 
_exptl_absorpt_correction_T_min   0.649616 
_exptl_absorpt_correction_T_max   1.000000 

_exptl_special_details 
; 
- 
; 

_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        SMART 
_diffrn_measurement_method        CCD 
_diffrn_standards_number          - 
_diffrn_standards_interval_count  - 
_diffrn_standards_interval_time   - 
_diffrn_standards_decay_%         - 
_diffrn_reflns_number             16141 
_diffrn_reflns_av_R_equivalents   0.0217 
_diffrn_reflns_av_sigmaI/netI     0.0244 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -24 
_diffrn_reflns_limit_k_max        23 
_diffrn_reflns_limit_l_min        -9 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          1.73 
_diffrn_reflns_theta_max          23.22 
_reflns_number_total              5310 
_reflns_number_observed           4656 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        SMART 
_computing_cell_refinement        SMART/SAINT 
_computing_data_reduction         SAINT 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     SHELXTL 
_computing_publication_material   SHELXTL 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 50 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses of fit S are based on F^2^, conventional R-factors R 
are based on F, with F set to zero for negative F^2^. The observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is 
not relevant to the choice of reflections for refinement.  R-factors based 
on F^2^ are statistically about twice as large as those based on F, and R- 
factors based on ALL data will be even larger. 
; 

_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
'calc w=1/[\s^2^(Fo^2^)+(0.0622P)^2^+4.1325P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     riding 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00094(14) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          5260 
_refine_ls_number_parameters      382 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0396 
_refine_ls_R_factor_obs           0.0330 
_refine_ls_wR_factor_all          0.1088 
_refine_ls_wR_factor_obs          0.0893 
_refine_ls_goodness_of_fit_all    1.040 
_refine_ls_goodness_of_fit_obs    1.081 
_refine_ls_restrained_S_all       1.236 
_refine_ls_restrained_S_obs       1.081 
_refine_ls_shift/esd_max          -0.390 
_refine_ls_shift/esd_mean         0.010 

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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Pt1 Pt 0.17755(2) 0.132722(9) 0.643896(14) 0.03719(12) Uani 1 d . . 
Cl1 Cl 0.03978(13) 0.18880(7) 0.70762(12) 0.0592(4) Uani 1 d . . 
Cl2 Cl 0.1210(2) 0.17996(9) 0.49439(13) 0.0752(5) Uani 1 d . . 
P1 P 0.20963(11) 0.08314(6) 0.78192(9) 0.0365(3) Uani 1 d . . 
N1 N 0.3019(4) 0.0251(2) 0.7840(3) 0.0403(10) Uani 1 d D . 
H1N H 0.2821(46) -0.0063(19) 0.8280(32) 0.051(16) Uiso 1 d D . 
C1 C 0.4102(4) 0.0363(2) 0.7659(4) 0.0402(12) Uani 1 d . . 
C2 C 0.4282(4) 0.0608(2) 0.6777(4) 0.0388(12) Uani 1 d . . 
C3 C 0.5372(5) 0.0681(3) 0.6603(4) 0.0479(14) Uani 1 d . . 
H3A H 0.5501(5) 0.0836(3) 0.6017(4) 0.058 Uiso 1 calc R . 
C4 C 0.6266(5) 0.0524(3) 0.7292(5) 0.056(2) Uani 1 d . . 
H4A H 0.6985(5) 0.0573(3) 0.7167(5) 0.067 Uiso 1 calc R . 
C5 C 0.6081(5) 0.0297(3) 0.8154(5) 0.058(2) Uani 1 d . . 
H5A H 0.6680(5) 0.0193(3) 0.8614(5) 0.070 Uiso 1 calc R . 
C6 C 0.5019(5) 0.0219(3) 0.8350(4) 0.0488(14) Uani 1 d . . 
H6A H 0.4908(5) 0.0071(3) 0.8945(4) 0.059 Uiso 1 calc R . 
C7 C 0.2576(5) 0.1298(3) 0.8857(4) 0.0457(14) Uani 1 d . . 
C8 C 0.2834(6) 0.1914(3) 0.8748(5) 0.064(2) Uani 1 d . . 
H8A H 0.2653(6) 0.2102(3) 0.8154(5) 0.076 Uiso 1 calc R . 
C9 C 0.3364(7) 0.2253(4) 0.9526(6) 0.087(2) Uani 1 d . . 
H9A H 0.3568(7) 0.2661(4) 0.9456(6) 0.104 Uiso 1 calc R . 
C10 C 0.3579(8) 0.1956(5) 1.0418(7) 0.104(3) Uani 1 d . . 
H10A H 0.3899(8) 0.2177(5) 1.0952(7) 0.125 Uiso 1 calc R . 
C11 C 0.3329(9) 0.1353(4) 1.0515(6) 0.100(3) Uani 1 d . . 
H11A H 0.3491(9) 0.1165(4) 1.1110(6) 0.120 Uiso 1 calc R . 
C12 C 0.2839(7) 0.1018(4) 0.9744(5) 0.074(2) Uani 1 d . . 
H12A H 0.2682(7) 0.0603(4) 0.9815(5) 0.089 Uiso 1 calc R . 
C13 C 0.0894(4) 0.0404(3) 0.8050(4) 0.0455(13) Uani 1 d . . 
C14 C 0.0216(6) 0.0598(4) 0.8682(6) 0.072(2) Uani 1 d . . 
H14A H 0.0369(6) 0.0963(4) 0.9022(6) 0.087 Uiso 1 calc R . 
C15 C -0.0707(6) 0.0242(5) 0.8811(7) 0.092(3) Uani 1 d . . 
H15A H -0.1151(6) 0.0366(5) 0.9254(7) 0.111 Uiso 1 calc R . 
C16 C -0.0958(6) -0.0271(5) 0.8308(8) 0.096(3) Uani 1 d . . 
H16A H -0.1582(6) -0.0494(5) 0.8399(8) 0.116 Uiso 1 calc R . 
C17 C -0.0300(7) -0.0482(4) 0.7643(7) 0.086(2) Uani 1 d . . 
H17A H -0.0482(7) -0.0839(4) 0.7291(7) 0.103 Uiso 1 calc R . 
C18 C 0.0636(5) -0.0138(3) 0.7528(5) 0.063(2) Uani 1 d . . 
H18A H 0.1093(5) -0.0270(3) 0.7100(5) 0.076 Uiso 1 calc R . 
P2 P 0.30932(11) 0.07886(6) 0.58798(9) 0.0364(3) Uani 1 d . . 
C19 C 0.2577(4) 0.0052(2) 0.5405(4) 0.0403(12) Uani 1 d . . 
C20 C 0.3168(5) -0.0490(3) 0.5612(5) 0.0537(15) Uani 1 d . . 
H20A H 0.3847(5) -0.0480(3) 0.6012(5) 0.064 Uiso 1 calc R . 
C21 C 0.2753(6) -0.1046(3) 0.5228(5) 0.063(2) Uani 1 d . . 
H21A H 0.3165(6) -0.1405(3) 0.5357(5) 0.076 Uiso 1 calc R . 
C22 C 0.1735(6) -0.1070(3) 0.4657(5) 0.062(2) Uani 1 d . . 
H22A H 0.1445(6) -0.1443(3) 0.4413(5) 0.075 Uiso 1 calc R . 
C23 C 0.1151(6) -0.0526(3) 0.4454(5) 0.071(2) Uani 1 d . . 
H23A H 0.0467(6) -0.0535(3) 0.4061(5) 0.085 Uiso 1 calc R . 
C24 C 0.1557(5) 0.0016(3) 0.4816(5) 0.061(2) Uani 1 d . . 
H24A H 0.1147(5) 0.0373(3) 0.4670(5) 0.073 Uiso 1 calc R . 
C25 C 0.3676(5) 0.1176(3) 0.4932(4) 0.0437(13) Uani 1 d . . 
C26 C 0.3701(5) 0.0907(3) 0.4057(4) 0.058(2) Uani 1 d . . 
H26A H 0.3416(5) 0.0513(3) 0.3942(4) 0.070 Uiso 1 calc R . 
C27 C 0.4139(7) 0.1210(4) 0.3351(5) 0.081(2) Uani 1 d . . 
H27A H 0.4154(7) 0.1018(4) 0.2766(5) 0.097 Uiso 1 calc R . 
C28 C 0.4553(7) 0.1790(4) 0.3501(6) 0.084(2) Uani 1 d . . 
H28A H 0.4829(7) 0.1998(4) 0.3013(6) 0.100 Uiso 1 calc R . 
C29 C 0.4559(7) 0.2074(3) 0.4392(7) 0.082(2) Uani 1 d . . 
H29A H 0.4871(7) 0.2462(3) 0.4513(7) 0.099 Uiso 1 calc R . 
C30 C 0.4091(6) 0.1764(3) 0.5092(5) 0.069(2) Uani 1 d . . 
H30A H 0.4058(6) 0.1955(3) 0.5675(5) 0.082 Uiso 1 calc R . 
C40 C 0.6472(11) 0.2544(6) 0.7698(10) 0.113(5) Uani 0.75 d P . 
H40A H 0.6736(11) 0.2804(6) 0.8252(10) 0.136 Uiso 0.75 calc PR . 
Cl3 Cl 0.5320(3) 0.2121(2) 0.7913(3) 0.1280(15) Uani 0.75 d P . 
Cl4 Cl 0.7540(3) 0.2045(2) 0.7465(3) 0.1218(13) Uani 0.75 d P . 
Cl5 Cl 0.6102(5) 0.3011(2) 0.6664(5) 0.164(2) Uani 0.75 d P . 
O50 O 0.2943(5) -0.0577(3) 0.9403(4) 0.0631(15) Uiso 0.75 d P . 
S50 S 0.3262(3) -0.1236(2) 0.9487(3) 0.1118(11) Uiso 0.75 d P . 
C51 C 0.3153(18) -0.1544(12) 0.8321(17) 0.184(9) Uiso 0.75 d P . 
H51A H 0.3733(18) -0.1379(12) 0.8009(17) 0.277 Uiso 0.75 calc PR . 
H51B H 0.2448(18) -0.1436(12) 0.7963(17) 0.277 Uiso 0.75 calc PR . 
H51C H 0.3220(18) -0.1984(12) 0.8356(17) 0.277 Uiso 0.75 calc PR . 
C52 C 0.2255(23) -0.1550(13) 0.9759(21) 0.231(11) Uiso 0.75 d P . 
H52A H 0.2175(23) -0.1439(13) 1.0401(21) 0.347 Uiso 0.75 calc PR . 
H52B H 0.2340(23) -0.1989(13) 0.9719(21) 0.347 Uiso 0.75 calc PR . 
H52C H 0.1609(23) -0.1424(13) 0.9330(21) 0.347 Uiso 0.75 calc PR . 

loop_ 
_atom_site_aniso_label 
_atom_site_aniso_U_11 
_atom_site_aniso_U_22 
_atom_site_aniso_U_33 
_atom_site_aniso_U_23 
_atom_site_aniso_U_13 
_atom_site_aniso_U_12 
Pt1 0.0421(2) 0.0322(2) 0.0369(2) 0.00269(8) 0.00516(10) 0.00527(8) 
Cl1 0.0583(9) 0.0539(9) 0.0658(10) -0.0049(7) 0.0109(7) 0.0209(7) 
Cl2 0.0784(11) 0.0884(12) 0.0600(10) 0.0367(9) 0.0141(9) 0.0318(10) 
P1 0.0397(7) 0.0368(7) 0.0336(7) 0.0006(6) 0.0070(6) 0.0001(6) 
N1 0.045(3) 0.037(2) 0.039(2) 0.005(2) 0.007(2) 0.001(2) 
C1 0.041(3) 0.039(3) 0.040(3) -0.002(2) 0.004(2) 0.003(2) 
C2 0.041(3) 0.036(3) 0.039(3) -0.005(2) 0.004(2) 0.001(2) 
C3 0.047(3) 0.047(3) 0.051(3) -0.005(3) 0.010(3) -0.003(3) 
C4 0.037(3) 0.060(4) 0.068(4) -0.010(3) 0.003(3) 0.002(3) 
C5 0.046(4) 0.064(4) 0.059(4) -0.004(3) -0.010(3) 0.010(3) 
C6 0.052(3) 0.052(3) 0.041(3) 0.000(3) 0.001(3) 0.006(3) 
C7 0.043(3) 0.053(4) 0.041(3) -0.010(3) 0.008(3) -0.003(2) 
C8 0.076(4) 0.056(4) 0.058(4) -0.013(3) 0.009(3) -0.003(3) 
C9 0.107(6) 0.065(5) 0.086(6) -0.037(4) 0.008(5) -0.019(4) 
C10 0.120(7) 0.115(8) 0.069(6) -0.051(6) -0.011(5) -0.012(6) 
C11 0.150(9) 0.093(7) 0.048(5) -0.020(4) -0.018(5) -0.012(6) 
C12 0.107(6) 0.066(4) 0.046(4) -0.003(3) 0.001(4) -0.014(4) 
C13 0.043(3) 0.047(3) 0.046(3) 0.011(3) 0.005(3) -0.001(2) 
C14 0.053(4) 0.088(5) 0.079(5) -0.003(4) 0.021(4) -0.001(4) 
C15 0.058(5) 0.110(7) 0.117(7) 0.004(6) 0.038(5) -0.003(5) 
C16 0.051(4) 0.101(7) 0.139(8) 0.038(6) 0.018(5) -0.017(4) 
C17 0.076(5) 0.073(5) 0.107(7) 0.018(5) 0.004(5) -0.027(4) 
C18 0.061(4) 0.053(4) 0.075(5) 0.004(3) 0.009(3) -0.014(3) 
P2 0.0429(7) 0.0341(7) 0.0318(7) 0.0010(6) 0.0047(6) 0.0011(6) 
C19 0.041(3) 0.045(3) 0.035(3) -0.002(2) 0.004(2) -0.003(2) 
C20 0.052(3) 0.043(3) 0.062(4) -0.007(3) -0.003(3) 0.005(3) 
C21 0.070(4) 0.042(3) 0.076(5) -0.002(3) 0.008(4) 0.002(3) 
C22 0.069(4) 0.044(4) 0.071(4) -0.008(3) 0.001(3) -0.017(3) 
C23 0.063(4) 0.064(4) 0.075(5) -0.011(4) -0.022(4) -0.007(3) 
C24 0.056(4) 0.051(4) 0.069(4) 0.002(3) -0.014(3) 0.004(3) 
C25 0.046(3) 0.042(3) 0.045(3) 0.008(3) 0.012(3) 0.005(2) 
C26 0.068(4) 0.068(4) 0.041(3) 0.006(3) 0.014(3) 0.009(3) 
C27 0.105(6) 0.094(6) 0.048(4) 0.023(4) 0.024(4) 0.012(5) 
C28 0.092(6) 0.093(6) 0.073(5) 0.040(5) 0.038(4) 0.014(5) 
C29 0.094(6) 0.047(4) 0.113(7) 0.027(4) 0.039(5) -0.004(4) 
C30 0.087(5) 0.058(4) 0.065(4) 0.001(3) 0.027(4) -0.009(4) 
C40 0.118(10) 0.105(9) 0.129(11) -0.077(9) 0.060(9) -0.057(8) 
Cl3 0.112(2) 0.150(3) 0.139(3) -0.079(3) 0.074(2) -0.064(2) 
Cl4 0.107(2) 0.099(2) 0.170(4) -0.044(2) 0.058(2) -0.018(2) 
Cl5 0.200(5) 0.101(3) 0.204(5) -0.003(3) 0.071(4) -0.004(3) 

_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 P1 2.2126(13) . ? 
Pt1 P2 2.2319(13) . ? 
Pt1 Cl2 2.358(2) . ? 
Pt1 Cl1 2.3664(14) . ? 
P1 N1 1.689(4) . ? 
P1 C7 1.806(6) . ? 
P1 C13 1.810(5) . ? 
N1 C1 1.407(7) . ? 
C1 C2 1.404(8) . ? 
C1 C6 1.406(8) . ? 
C2 C3 1.401(8) . ? 
C2 P2 1.821(5) . ? 
C3 C4 1.391(8) . ? 
C4 C5 1.366(9) . ? 
C5 C6 1.380(9) . ? 
C7 C12 1.388(9) . ? 
C7 C8 1.389(8) . ? 
C8 C9 1.399(10) . ? 
C9 C10 1.407(13) . ? 
C10 C11 1.356(12) . ? 
C11 C12 1.371(11) . ? 
C13 C14 1.375(9) . ? 
C13 C18 1.400(9) . ? 
C14 C15 1.403(11) . ? 
C15 C16 1.333(13) . ? 
C16 C17 1.405(13) . ? 
C17 C18 1.397(10) . ? 
P2 C19 1.810(5) . ? 
P2 C25 1.818(6) . ? 
C19 C20 1.389(8) . ? 
C19 C24 1.392(8) . ? 
C20 C21 1.389(9) . ? 
C21 C22 1.378(9) . ? 
C22 C23 1.389(10) . ? 
C23 C24 1.347(9) . ? 
C25 C26 1.374(8) . ? 
C25 C30 1.380(9) . ? 
C26 C27 1.372(10) . ? 
C27 C28 1.362(12) . ? 
C28 C29 1.404(12) . ? 
C29 C30 1.392(10) . ? 
C40 Cl3 1.746(11) . ? 
C40 Cl4 1.766(14) . ? 
C40 Cl5 1.78(2) . ? 
O50 S50 1.485(7) . ? 
S50 C52 1.51(3) . ? 
S50 C51 1.77(2) . ? 

loop_ 
_geom_angle_atom_site_label_1 
_geom_angle_atom_site_label_2 
_geom_angle_atom_site_label_3 
_geom_angle 
_geom_angle_site_symmetry_1 
_geom_angle_site_symmetry_3 
_geom_angle_publ_flag 
P1 Pt1 P2 91.03(5) . . ? 
P1 Pt1 Cl2 172.80(6) . . ? 
P2 Pt1 Cl2 92.18(6) . . ? 
P1 Pt1 Cl1 87.38(5) . . ? 
P2 Pt1 Cl1 178.37(5) . . ? 
Cl2 Pt1 Cl1 89.44(6) . . ? 
N1 P1 C7 105.8(2) . . ? 
N1 P1 C13 100.0(2) . . ? 
C7 P1 C13 108.2(3) . . ? 
N1 P1 Pt1 114.0(2) . . ? 
C7 P1 Pt1 115.9(2) . . ? 
C13 P1 Pt1 111.7(2) . . ? 
C1 N1 P1 120.8(4) . . ? 
C2 C1 N1 120.5(5) . . ? 
C2 C1 C6 119.0(5) . . ? 
N1 C1 C6 120.4(5) . . ? 
C3 C2 C1 118.9(5) . . ? 
C3 C2 P2 122.1(4) . . ? 
C1 C2 P2 118.9(4) . . ? 
C4 C3 C2 121.0(6) . . ? 
C5 C4 C3 119.7(6) . . ? 
C4 C5 C6 120.9(6) . . ? 
C5 C6 C1 120.5(6) . . ? 
C12 C7 C8 119.8(6) . . ? 
C12 C7 P1 119.4(5) . . ? 
C8 C7 P1 120.1(5) . . ? 
C7 C8 C9 120.3(7) . . ? 
C8 C9 C10 117.8(7) . . ? 
C11 C10 C9 121.3(7) . . ? 
C10 C11 C12 120.6(8) . . ? 
C11 C12 C7 120.1(7) . . ? 
C14 C13 C18 119.5(6) . . ? 
C14 C13 P1 123.2(5) . . ? 
C18 C13 P1 117.3(5) . . ? 
C13 C14 C15 119.5(8) . . ? 
C16 C15 C14 121.0(8) . . ? 
C15 C16 C17 121.5(7) . . ? 
C18 C17 C16 117.9(8) . . ? 
C17 C18 C13 120.7(7) . . ? 
C19 P2 C25 106.8(3) . . ? 
C19 P2 C2 105.3(2) . . ? 
C25 P2 C2 104.7(3) . . ? 
C19 P2 Pt1 111.4(2) . . ? 
C25 P2 Pt1 113.8(2) . . ? 
C2 P2 Pt1 114.1(2) . . ? 
C20 C19 C24 117.9(5) . . ? 
C20 C19 P2 122.0(4) . . ? 
C24 C19 P2 120.1(4) . . ? 
C19 C20 C21 120.5(6) . . ? 
C22 C21 C20 120.4(6) . . ? 
C21 C22 C23 118.7(6) . . ? 
C24 C23 C22 121.1(6) . . ? 
C23 C24 C19 121.5(6) . . ? 
C26 C25 C30 118.9(6) . . ? 
C26 C25 P2 122.2(5) . . ? 
C30 C25 P2 118.9(5) . . ? 
C27 C26 C25 121.2(7) . . ? 
C28 C27 C26 120.5(8) . . ? 
C27 C28 C29 119.8(7) . . ? 
C30 C29 C28 118.7(7) . . ? 
C25 C30 C29 120.8(7) . . ? 
Cl3 C40 Cl4 110.4(7) . . ? 
Cl3 C40 Cl5 109.4(8) . . ? 
Cl4 C40 Cl5 107.3(7) . . ? 
O50 S50 C52 104.0(11) . . ? 
O50 S50 C51 108.0(9) . . ? 
C52 S50 C51 96.9(14) . . ? 

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 
P2 Pt1 P1 N1 -5.8(2) . . . . ? 
Cl2 Pt1 P1 N1 110.7(5) . . . . ? 
Cl1 Pt1 P1 N1 174.6(2) . . . . ? 
P2 Pt1 P1 C7 117.3(2) . . . . ? 
Cl2 Pt1 P1 C7 -126.2(5) . . . . ? 
Cl1 Pt1 P1 C7 -62.4(2) . . . . ? 
P2 Pt1 P1 C13 -118.2(2) . . . . ? 
Cl2 Pt1 P1 C13 -1.7(5) . . . . ? 
Cl1 Pt1 P1 C13 62.2(2) . . . . ? 
C7 P1 N1 C1 -69.8(4) . . . . ? 
C13 P1 N1 C1 177.9(4) . . . . ? 
Pt1 P1 N1 C1 58.6(4) . . . . ? 
P1 N1 C1 C2 -60.7(6) . . . . ? 
P1 N1 C1 C6 120.7(5) . . . . ? 
N1 C1 C2 C3 -176.4(5) . . . . ? 
C6 C1 C2 C3 2.2(8) . . . . ? 
N1 C1 C2 P2 0.9(7) . . . . ? 
C6 C1 C2 P2 179.5(4) . . . . ? 
C1 C2 C3 C4 -1.0(8) . . . . ? 
P2 C2 C3 C4 -178.3(4) . . . . ? 
C2 C3 C4 C5 -0.1(9) . . . . ? 
C3 C4 C5 C6 0.1(10) . . . . ? 
C4 C5 C6 C1 1.1(9) . . . . ? 
C2 C1 C6 C5 -2.3(8) . . . . ? 
N1 C1 C6 C5 176.3(5) . . . . ? 
N1 P1 C7 C12 -50.2(6) . . . . ? 
C13 P1 C7 C12 56.2(6) . . . . ? 
Pt1 P1 C7 C12 -177.4(5) . . . . ? 
N1 P1 C7 C8 120.5(5) . . . . ? 
C13 P1 C7 C8 -133.1(5) . . . . ? 
Pt1 P1 C7 C8 -6.8(6) . . . . ? 
C12 C7 C8 C9 0.5(11) . . . . ? 
P1 C7 C8 C9 -170.1(6) . . . . ? 
C7 C8 C9 C10 -2.7(12) . . . . ? 
C8 C9 C10 C11 3.0(15) . . . . ? 
C9 C10 C11 C12 -1.2(17) . . . . ? 
C10 C11 C12 C7 -1.1(15) . . . . ? 
C8 C7 C12 C11 1.4(12) . . . . ? 
P1 C7 C12 C11 172.1(7) . . . . ? 
N1 P1 C13 C14 135.7(5) . . . . ? 
C7 P1 C13 C14 25.3(6) . . . . ? 
Pt1 P1 C13 C14 -103.4(5) . . . . ? 
N1 P1 C13 C18 -46.5(5) . . . . ? 
C7 P1 C13 C18 -156.9(5) . . . . ? 
Pt1 P1 C13 C18 74.4(5) . . . . ? 
C18 C13 C14 C15 1.6(10) . . . . ? 
P1 C13 C14 C15 179.3(6) . . . . ? 
C13 C14 C15 C16 -2.2(13) . . . . ? 
C14 C15 C16 C17 1.1(15) . . . . ? 
C15 C16 C17 C18 0.4(13) . . . . ? 
C16 C17 C18 C13 -1.0(11) . . . . ? 
C14 C13 C18 C17 0.0(10) . . . . ? 
P1 C13 C18 C17 -177.9(5) . . . . ? 
C3 C2 P2 C19 102.8(5) . . . . ? 
C1 C2 P2 C19 -74.5(5) . . . . ? 
C3 C2 P2 C25 -9.7(5) . . . . ? 
C1 C2 P2 C25 173.1(4) . . . . ? 
C3 C2 P2 Pt1 -134.8(4) . . . . ? 
C1 C2 P2 Pt1 48.0(4) . . . . ? 
P1 Pt1 P2 C19 83.6(2) . . . . ? 
Cl2 Pt1 P2 C19 -90.0(2) . . . . ? 
Cl1 Pt1 P2 C19 96.8(19) . . . . ? 
P1 Pt1 P2 C25 -155.6(2) . . . . ? 
Cl2 Pt1 P2 C25 30.9(2) . . . . ? 
Cl1 Pt1 P2 C25 -142.4(19) . . . . ? 
P1 Pt1 P2 C2 -35.5(2) . . . . ? 
Cl2 Pt1 P2 C2 150.9(2) . . . . ? 
Cl1 Pt1 P2 C2 -22.3(19) . . . . ? 
C25 P2 C19 C20 100.3(5) . . . . ? 
C2 P2 C19 C20 -10.6(6) . . . . ? 
Pt1 P2 C19 C20 -134.8(5) . . . . ? 
C25 P2 C19 C24 -80.0(5) . . . . ? 
C2 P2 C19 C24 169.1(5) . . . . ? 
Pt1 P2 C19 C24 44.9(5) . . . . ? 
C24 C19 C20 C21 1.0(9) . . . . ? 
P2 C19 C20 C21 -179.3(5) . . . . ? 
C19 C20 C21 C22 -1.8(10) . . . . ? 
C20 C21 C22 C23 1.8(11) . . . . ? 
C21 C22 C23 C24 -1.0(12) . . . . ? 
C22 C23 C24 C19 0.2(12) . . . . ? 
C20 C19 C24 C23 -0.2(10) . . . . ? 
P2 C19 C24 C23 -179.9(6) . . . . ? 
C19 P2 C25 C26 -1.6(6) . . . . ? 
C2 P2 C25 C26 109.7(5) . . . . ? 
Pt1 P2 C25 C26 -125.0(5) . . . . ? 
C19 P2 C25 C30 177.4(5) . . . . ? 
C2 P2 C25 C30 -71.2(5) . . . . ? 
Pt1 P2 C25 C30 54.0(6) . . . . ? 
C30 C25 C26 C27 0.6(10) . . . . ? 
P2 C25 C26 C27 179.6(6) . . . . ? 
C25 C26 C27 C28 -0.6(12) . . . . ? 
C26 C27 C28 C29 1.8(13) . . . . ? 
C27 C28 C29 C30 -3.0(12) . . . . ? 
C26 C25 C30 C29 -1.9(11) . . . . ? 
P2 C25 C30 C29 179.0(6) . . . . ? 
C28 C29 C30 C25 3.1(12) . . . . ? 

_refine_diff_density_max    2.771 
_refine_diff_density_min   -1.435 
_refine_diff_density_rms    0.100