# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1507
  
data_kf24a 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C24 H26 Cl2 P2 Pt' 
_chemical_formula_weight          642.38 
_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' 
 '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' 
  
_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    P2(1)2(1)2(1) 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
  
_cell_length_a                    11.2881(2) 
_cell_length_b                    13.4782(3) 
_cell_length_c                    15.8181(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      2406.62(9) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
  
_exptl_crystal_description        'Rectangular crystal fragment' 
_exptl_crystal_colour             Colourless 
_exptl_crystal_size_max           0.20 
_exptl_crystal_size_mid           0.14 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.773 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1248 
_exptl_absorpt_coefficient_mu     6.194 
_exptl_absorpt_correction_type    'Sadabs (Sheldrick, 1996)' 
_exptl_absorpt_correction_T_min   0.665 
_exptl_absorpt_correction_T_max   0.928 
  
_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        'Siemens P4' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             14581 
_diffrn_reflns_av_R_equivalents   0.0272 
_diffrn_reflns_av_sigmaI/netI     0.0434 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -20 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          1.99 
_diffrn_reflns_theta_max          27.06 
_reflns_number_total              5275 
_reflns_number_observed           4951 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Siemens XSCANS' 
_computing_cell_refinement        'Siemens XSCANS' 
_computing_data_reduction         'Siemens SHELXTL' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 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^)+(0.0000P)^2^+0.0000P] 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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.009(4) 
_refine_ls_number_reflns          5275 
_refine_ls_number_parameters      262 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0228 
_refine_ls_R_factor_obs           0.0199 
_refine_ls_wR_factor_all          0.0443 
_refine_ls_wR_factor_obs          0.0434 
_refine_ls_goodness_of_fit_all    0.960 
_refine_ls_goodness_of_fit_obs    0.972 
_refine_ls_restrained_S_all       0.960 
_refine_ls_restrained_S_obs       0.972 
_refine_ls_shift/esd_max          -0.001 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Pt Pt 1.211905(12) 0.646013(10) 0.408564(9) 0.02424(4) Uani 1 d . . 
Cl1 Cl 1.02827(9) 0.70888(8) 0.35744(8) 0.0380(2) Uani 1 d . . 
Cl2 Cl 1.31701(9) 0.77913(9) 0.34581(8) 0.0469(3) Uani 1 d . . 
P1 P 1.36948(9) 0.56752(7) 0.45825(6) 0.0254(2) Uani 1 d . . 
P2 P 1.11677(9) 0.53078(8) 0.48256(7) 0.0263(2) Uani 1 d . . 
C1 C 1.3951(3) 0.5453(3) 0.5746(2) 0.0285(9) Uani 1 d . . 
H1A H 1.4227(3) 0.6029(3) 0.6068(2) 0.034 Uiso 1 calc R . 
C2 C 1.4826(4) 0.4594(3) 0.5682(3) 0.0333(10) Uani 1 d . . 
C3 C 1.4466(4) 0.3951(3) 0.5085(3) 0.0348(10) Uani 1 d . . 
C4 C 1.3364(3) 0.4332(3) 0.4638(3) 0.0269(8) Uani 1 d . . 
H4A H 1.3195(3) 0.4017(3) 0.4093(3) 0.032 Uiso 1 calc R . 
C5 C 1.2278(3) 0.4423(3) 0.5245(2) 0.0273(8) Uani 1 d . . 
H5A H 1.1928(3) 0.3775(3) 0.5375(2) 0.033 Uiso 1 calc R . 
C6 C 1.2733(3) 0.4970(3) 0.6065(2) 0.0277(8) Uani 1 d . . 
C7 C 1.1802(3) 0.5724(3) 0.6340(3) 0.0293(9) Uani 1 d . . 
C8 C 1.0878(3) 0.5869(3) 0.5831(3) 0.0323(9) Uani 1 d . . 
H8A H 1.0189(3) 0.6208(3) 0.5975(3) 0.039 Uiso 1 calc R . 
C9 C 1.1979(4) 0.6276(3) 0.7155(3) 0.0451(11) Uani 1 d . . 
H9A H 1.2699(4) 0.6056(3) 0.7419(3) 0.068 Uiso 1 calc R . 
H9B H 1.1323(4) 0.6151(3) 0.7525(3) 0.068 Uiso 1 calc R . 
H9C H 1.2030(4) 0.6975(3) 0.7041(3) 0.068 Uiso 1 calc R . 
C10 C 1.2922(5) 0.4232(3) 0.6795(3) 0.0401(10) Uani 1 d . . 
H10A H 1.3507(5) 0.3751(3) 0.6634(3) 0.060 Uiso 1 calc R . 
H10B H 1.2189(5) 0.3902(3) 0.6918(3) 0.060 Uiso 1 calc R . 
H10C H 1.3188(5) 0.4583(3) 0.7287(3) 0.060 Uiso 1 calc R . 
C11 C 1.5842(4) 0.4511(4) 0.6281(3) 0.0539(14) Uani 1 d . . 
H11A H 1.5873(4) 0.5091(4) 0.6632(3) 0.081 Uiso 1 calc R . 
H11B H 1.6567(4) 0.4454(4) 0.5967(3) 0.081 Uiso 1 calc R . 
H11C H 1.5741(4) 0.3933(4) 0.6628(3) 0.081 Uiso 1 calc R . 
C12 C 1.4998(4) 0.2975(3) 0.4823(4) 0.0490(13) Uani 1 d . . 
H12A H 1.4533(4) 0.2691(3) 0.4377(4) 0.073 Uiso 1 calc R . 
H12B H 1.5007(4) 0.2532(3) 0.5298(4) 0.073 Uiso 1 calc R . 
H12C H 1.5793(4) 0.3080(3) 0.4628(4) 0.073 Uiso 1 calc R . 
C13 C 1.5107(3) 0.5875(3) 0.4083(3) 0.0312(8) Uani 1 d . . 
C14 C 1.5267(4) 0.5536(4) 0.3254(3) 0.0480(13) Uani 1 d . . 
H14A H 1.4655(4) 0.5212(4) 0.2974(3) 0.058 Uiso 1 calc R . 
C15 C 1.6354(4) 0.5690(4) 0.2852(3) 0.0571(14) Uani 1 d . . 
H15A H 1.6465(4) 0.5459(4) 0.2304(3) 0.069 Uiso 1 calc R . 
C16 C 1.7254(4) 0.6176(3) 0.3254(3) 0.0489(13) Uani 1 d . . 
H16A H 1.7975(4) 0.6271(3) 0.2981(3) 0.059 Uiso 1 calc R . 
C17 C 1.7096(4) 0.6527(3) 0.4071(3) 0.0474(10) Uani 1 d . . 
H17A H 1.7706(4) 0.6863(3) 0.4344(3) 0.057 Uiso 1 calc R . 
C18 C 1.6028(3) 0.6377(3) 0.4478(3) 0.0370(10) Uani 1 d . . 
H18A H 1.5924(3) 0.6615(3) 0.5025(3) 0.044 Uiso 1 calc R . 
C19 C 0.9914(3) 0.4659(3) 0.4387(3) 0.0280(9) Uani 1 d . . 
C20 C 1.0031(4) 0.4173(4) 0.3625(3) 0.0453(13) Uani 1 d . . 
H20A H 1.0751(4) 0.4193(4) 0.3339(3) 0.054 Uiso 1 calc R . 
C21 C 0.9077(5) 0.3650(4) 0.3276(3) 0.0528(13) Uani 1 d . . 
H21A H 0.9166(5) 0.3312(4) 0.2767(3) 0.063 Uiso 1 calc R . 
C22 C 0.8019(4) 0.3640(4) 0.3690(3) 0.0491(12) Uani 1 d . . 
H22A H 0.7381(4) 0.3298(4) 0.3459(3) 0.059 Uiso 1 calc R . 
C23 C 0.7888(5) 0.4133(3) 0.4448(3) 0.0505(12) Uani 1 d . . 
H23A H 0.7159(5) 0.4123(3) 0.4723(3) 0.061 Uiso 1 calc R . 
C24 C 0.8835(4) 0.4648(3) 0.4810(3) 0.0391(11) Uani 1 d . . 
H24A H 0.8745(4) 0.4976(3) 0.5323(3) 0.047 Uiso 1 calc R . 
  
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 
Pt 0.02542(7) 0.02464(7) 0.02265(6) 0.00245(7) -0.00103(7) -0.00183(6) 
Cl1 0.0305(5) 0.0396(6) 0.0439(6) 0.0064(5) -0.0060(5) 0.0020(4) 
Cl2 0.0403(7) 0.0440(6) 0.0565(7) 0.0238(6) -0.0076(6) -0.0148(5) 
P1 0.0253(5) 0.0271(5) 0.0239(5) 0.0028(4) -0.0001(4) -0.0004(4) 
P2 0.0264(5) 0.0279(5) 0.0247(5) 0.0017(4) 0.0021(5) -0.0023(4) 
C1 0.031(2) 0.033(2) 0.021(2) 0.000(2) -0.002(2) -0.002(2) 
C2 0.033(2) 0.037(2) 0.030(2) 0.009(2) -0.002(2) 0.001(2) 
C3 0.034(2) 0.035(2) 0.036(2) 0.009(2) 0.006(2) 0.005(2) 
C4 0.030(2) 0.026(2) 0.025(2) -0.001(2) 0.001(2) 0.002(2) 
C5 0.030(2) 0.025(2) 0.027(2) 0.000(2) 0.000(2) -0.002(2) 
C6 0.033(2) 0.030(2) 0.020(2) 0.0036(15) -0.001(2) -0.004(2) 
C7 0.032(2) 0.032(2) 0.024(2) 0.002(2) 0.008(2) -0.005(2) 
C8 0.030(2) 0.036(2) 0.032(2) -0.003(2) 0.005(2) -0.003(2) 
C9 0.061(3) 0.050(3) 0.024(2) -0.009(2) 0.003(2) -0.005(3) 
C10 0.049(3) 0.041(2) 0.030(2) 0.010(2) -0.005(3) -0.001(2) 
C11 0.047(3) 0.072(4) 0.042(3) 0.005(3) -0.015(3) 0.017(3) 
C12 0.043(3) 0.032(3) 0.073(4) 0.003(3) 0.002(3) 0.005(2) 
C13 0.031(2) 0.030(2) 0.033(2) 0.005(2) -0.006(2) 0.002(2) 
C14 0.033(2) 0.079(4) 0.032(2) -0.007(3) 0.002(2) -0.011(2) 
C15 0.049(3) 0.087(4) 0.036(3) -0.010(3) 0.013(3) -0.005(3) 
C16 0.031(3) 0.058(3) 0.058(3) 0.003(2) 0.018(3) 0.000(2) 
C17 0.029(2) 0.047(2) 0.066(3) -0.003(3) 0.000(3) -0.003(2) 
C18 0.034(2) 0.035(2) 0.042(2) -0.002(2) 0.001(2) -0.004(2) 
C19 0.032(2) 0.027(2) 0.025(2) 0.004(2) -0.001(2) -0.001(2) 
C20 0.041(3) 0.054(3) 0.040(3) -0.013(2) 0.009(2) -0.013(2) 
C21 0.070(3) 0.052(3) 0.036(2) -0.011(3) -0.004(3) -0.013(3) 
C22 0.040(3) 0.043(3) 0.064(3) -0.003(3) -0.017(3) -0.006(3) 
C23 0.028(2) 0.054(3) 0.069(3) -0.012(3) 0.001(3) -0.009(2) 
C24 0.030(2) 0.043(3) 0.044(3) -0.009(2) 0.003(2) -0.006(2) 
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Pt P1 2.2137(10) . ? 
Pt P2 2.2216(10) . ? 
Pt Cl2 2.3689(10) . ? 
Pt Cl1 2.3809(10) . ? 
P1 C13 1.799(4) . ? 
P1 C4 1.850(4) . ? 
P1 C1 1.887(4) . ? 
P2 C8 1.791(4) . ? 
P2 C19 1.802(4) . ? 
P2 C5 1.854(4) . ? 
C1 C2 1.525(6) . ? 
C1 C6 1.602(5) . ? 
C2 C3 1.345(6) . ? 
C2 C11 1.491(6) . ? 
C3 C12 1.504(6) . ? 
C3 C4 1.519(6) . ? 
C4 C5 1.562(5) . ? 
C5 C6 1.578(5) . ? 
C6 C7 1.526(5) . ? 
C6 C10 1.538(5) . ? 
C7 C8 1.332(5) . ? 
C7 C9 1.502(6) . ? 
C13 C18 1.389(6) . ? 
C13 C14 1.400(7) . ? 
C14 C15 1.398(6) . ? 
C15 C16 1.367(7) . ? 
C16 C17 1.388(7) . ? 
C17 C18 1.381(6) . ? 
C19 C20 1.379(6) . ? 
C19 C24 1.390(6) . ? 
C20 C21 1.400(6) . ? 
C21 C22 1.362(7) . ? 
C22 C23 1.380(7) . ? 
C23 C24 1.397(6) . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
P1 Pt P2 82.37(4) . . ? 
P1 Pt Cl2 96.22(4) . . ? 
P2 Pt Cl2 172.90(4) . . ? 
P1 Pt Cl1 171.97(4) . . ? 
P2 Pt Cl1 90.39(4) . . ? 
Cl2 Pt Cl1 91.38(4) . . ? 
C13 P1 C4 110.2(2) . . ? 
C13 P1 C1 108.4(2) . . ? 
C4 P1 C1 80.2(2) . . ? 
C13 P1 Pt 118.97(14) . . ? 
C4 P1 Pt 108.81(13) . . ? 
C1 P1 Pt 123.05(13) . . ? 
C8 P2 C19 113.8(2) . . ? 
C8 P2 C5 94.4(2) . . ? 
C19 P2 C5 110.9(2) . . ? 
C8 P2 Pt 105.14(13) . . ? 
C19 P2 Pt 121.08(13) . . ? 
C5 P2 Pt 108.16(13) . . ? 
C2 C1 C6 105.6(3) . . ? 
C2 C1 P1 98.9(3) . . ? 
C6 C1 P1 103.9(2) . . ? 
C3 C2 C11 129.0(4) . . ? 
C3 C2 C1 109.8(4) . . ? 
C11 C2 C1 120.9(4) . . ? 
C2 C3 C12 129.5(4) . . ? 
C2 C3 C4 110.9(4) . . ? 
C12 C3 C4 119.6(4) . . ? 
C3 C4 C5 112.5(3) . . ? 
C3 C4 P1 100.8(3) . . ? 
C5 C4 P1 96.4(2) . . ? 
C4 C5 C6 106.6(3) . . ? 
C4 C5 P2 111.2(3) . . ? 
C6 C5 P2 102.3(2) . . ? 
C7 C6 C10 108.2(3) . . ? 
C7 C6 C5 108.7(3) . . ? 
C10 C6 C5 111.1(3) . . ? 
C7 C6 C1 114.3(3) . . ? 
C10 C6 C1 112.4(3) . . ? 
C5 C6 C1 102.1(3) . . ? 
C8 C7 C9 123.4(4) . . ? 
C8 C7 C6 117.7(4) . . ? 
C9 C7 C6 118.8(4) . . ? 
C7 C8 P2 109.4(3) . . ? 
C18 C13 C14 118.9(4) . . ? 
C18 C13 P1 122.6(4) . . ? 
C14 C13 P1 118.5(3) . . ? 
C15 C14 C13 119.4(4) . . ? 
C16 C15 C14 120.8(5) . . ? 
C15 C16 C17 120.1(4) . . ? 
C18 C17 C16 119.7(5) . . ? 
C17 C18 C13 121.0(4) . . ? 
C20 C19 C24 120.0(4) . . ? 
C20 C19 P2 119.5(3) . . ? 
C24 C19 P2 120.6(3) . . ? 
C19 C20 C21 120.7(4) . . ? 
C22 C21 C20 119.4(4) . . ? 
C21 C22 C23 120.5(5) . . ? 
C22 C23 C24 120.8(5) . . ? 
C19 C24 C23 118.7(4) . . ? 
  
_refine_diff_density_max    0.763 
_refine_diff_density_min   -0.499 
_refine_diff_density_rms    0.082