# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/1736
 
data_pr9613a 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 'Compound 4'

 'Synthesis and characterisation of new platinum acetylide complexes
 containing di-imine ligands'

 'Christopher J. Adams, Stuart L. James, Xiaoming Liu, Paul R.
 Raithby and Lesley J. Yellowlees'

 'Submitted to J. Chem. Soc., Dalton Trans.'
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C39 H41 Cl9 N2 Pt' 
_chemical_formula_weight          1051.88 
 
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' 
 '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            Triclinic 
_symmetry_space_group_name_H-M    P(-1) 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    11.115(3) 
_cell_length_b                    19.187(4) 
_cell_length_c                    10.573(3) 
_cell_angle_alpha                 103.58(2) 
_cell_angle_beta                  93.90(2) 
_cell_angle_gamma                 75.67(2) 
_cell_volume                      2123.5(9) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     290(2) 
_cell_measurement_reflns_used     25 
_cell_measurement_theta_min       20
_cell_measurement_theta_max       25
 
_exptl_crystal_description        Needle 
_exptl_crystal_colour             Orange
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.25 
_exptl_crystal_size_min           0.25 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.645 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1040 
_exptl_absorpt_coefficient_mu     3.901 
_exptl_absorpt_correction_type    'Semi empirical - psi scans' 
_exptl_absorpt_correction_T_min   0.3045 
_exptl_absorpt_correction_T_max   0.4422 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       290(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_type   'Rigaku AFC7R' 
_diffrn_measurement_method        'omega/2 theta scans '
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          3
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             4607 
_diffrn_reflns_av_R_equivalents   0.1580 
_diffrn_reflns_av_sigmaI/netI     0.0835 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -10 
_diffrn_reflns_limit_l_max        11 
_diffrn_reflns_theta_min          2.57 
_diffrn_reflns_theta_max          22.49 
_reflns_number_total              4382 
_reflns_number_gt                 3539 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Rigaku control software' 
_computing_cell_refinement        'Rigaku control software' 
_computing_data_reduction         Texsan 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'SHELXTL-PLUS (Sheldrick, 1989)' 
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)' 
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness 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 threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) 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  
_refine_ls_weighting_details 
 'calc w=1/[\s^2^(Fo^2^)+(0.1300P)^2^+20.4947P] 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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4382 
_refine_ls_number_parameters      264 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0969 
_refine_ls_R_factor_gt            0.0683 
_refine_ls_wR_factor_ref          0.2262 
_refine_ls_wR_factor_gt           0.1958 
_refine_ls_goodness_of_fit_ref    1.185 
_refine_ls_restrained_S_all       1.185 
_refine_ls_shift/su_max           0.327 
_refine_ls_shift/su_mean          0.011 
 
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_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Pt1 Pt 0.29563(7) 0.01071(4) 0.36820(7) 0.0217(3) Uani 1 1 d . . . 
N1 N 0.2762(13) -0.0955(8) 0.2934(14) 0.021(4) Uiso 1 1 d . . . 
N2 N 0.3485(13) -0.0362(8) 0.5238(15) 0.026(4) Uiso 1 1 d . . . 
C1 C 0.2286(16) -0.1186(10) 0.1779(19) 0.025(5) Uiso 1 1 d . . . 
H1A H 0.2055 -0.0859 0.1232 0.030 Uiso 1 1 calc R . . 
C2 C 0.2116(16) -0.1900(10) 0.1344(19) 0.023(4) Uiso 1 1 d . . . 
H2A H 0.1774 -0.2043 0.0525 0.028 Uiso 1 1 calc R . . 
C3 C 0.2464(16) -0.2394(10) 0.2149(18) 0.025(4) Uiso 1 1 d . . . 
C4 C 0.2960(16) -0.2151(10) 0.3348(18) 0.025(4) Uiso 1 1 d . . . 
H4A H 0.3219 -0.2474 0.3900 0.030 Uiso 1 1 calc R . . 
C5 C 0.3081(16) -0.1421(10) 0.3748(19) 0.026(5) Uiso 1 1 d . . . 
C6 C 0.3492(17) -0.1082(10) 0.5013(19) 0.027(5) Uiso 1 1 d . . . 
C7 C 0.3903(16) -0.1480(10) 0.6022(18) 0.023(4) Uiso 1 1 d . . . 
H7A H 0.3943 -0.1983 0.5850 0.027 Uiso 1 1 calc R . . 
C8 C 0.4242(16) -0.1124(10) 0.7250(18) 0.021(4) Uiso 1 1 d . . . 
C9 C 0.4205(17) -0.0391(11) 0.743(2) 0.033(5) Uiso 1 1 d . . . 
H9A H 0.4415 -0.0125 0.8229 0.040 Uiso 1 1 calc R . . 
C10 C 0.3855(16) -0.0046(11) 0.6406(18) 0.026(5) Uiso 1 1 d . . . 
H10A H 0.3880 0.0448 0.6548 0.032 Uiso 1 1 calc R . . 
C11 C 0.2246(17) -0.3181(10) 0.1678(19) 0.029(5) Uiso 1 1 d . . . 
C12 C 0.283(2) -0.3514(14) 0.035(2) 0.058(7) Uiso 1 1 d . . . 
H12A H 0.3664 -0.3455 0.0380 0.087 Uiso 1 1 calc R . . 
H12B H 0.2353 -0.3267 -0.0280 0.087 Uiso 1 1 calc R . . 
H12C H 0.2838 -0.4029 0.0108 0.087 Uiso 1 1 calc R . . 
C13 C 0.289(2) -0.3683(14) 0.259(3) 0.059(7) Uiso 1 1 d . . . 
H13A H 0.2621 -0.3455 0.3467 0.088 Uiso 1 1 calc R . . 
H13B H 0.3773 -0.3755 0.2548 0.088 Uiso 1 1 calc R . . 
H13C H 0.2676 -0.4152 0.2326 0.088 Uiso 1 1 calc R . . 
C14 C 0.0862(19) -0.3128(13) 0.161(2) 0.048(6) Uiso 1 1 d . . . 
H14A H 0.0497 -0.2864 0.2431 0.072 Uiso 1 1 calc R . . 
H14B H 0.0718 -0.3615 0.1393 0.072 Uiso 1 1 calc R . . 
H14C H 0.0494 -0.2869 0.0946 0.072 Uiso 1 1 calc R . . 
C15 C 0.4702(17) -0.1561(11) 0.8324(19) 0.030(5) Uiso 1 1 d . . . 
C16 C 0.3737(18) -0.1969(11) 0.848(2) 0.037(5) Uiso 1 1 d . . . 
H16A H 0.3899 -0.2141 0.9274 0.056 Uiso 1 1 calc R . . 
H16B H 0.3774 -0.2382 0.7757 0.056 Uiso 1 1 calc R . . 
H16C H 0.2926 -0.1641 0.8517 0.056 Uiso 1 1 calc R . . 
C17 C 0.5924(18) -0.2077(11) 0.786(2) 0.037(5) Uiso 1 1 d . . . 
H17A H 0.6273 -0.2349 0.8501 0.056 Uiso 1 1 calc R . . 
H17B H 0.6484 -0.1796 0.7706 0.056 Uiso 1 1 calc R . . 
H17C H 0.5794 -0.2414 0.7059 0.056 Uiso 1 1 calc R . . 
C18 C 0.4882(18) -0.1049(11) 0.959(2) 0.035(5) Uiso 1 1 d . . . 
H18A H 0.5181 -0.1330 1.0237 0.052 Uiso 1 1 calc R . . 
H18B H 0.4105 -0.0709 0.9862 0.052 Uiso 1 1 calc R . . 
H18C H 0.5476 -0.0781 0.9482 0.052 Uiso 1 1 calc R . . 
C19 C 0.2442(15) 0.0444(9) 0.2087(17) 0.016(4) Uiso 1 1 d . . . 
C20 C 0.2069(15) 0.0579(10) 0.1011(18) 0.020(4) Uiso 1 1 d . . . 
C21 C 0.1677(15) 0.0662(10) -0.0226(18) 0.020(4) Uiso 1 1 d . . . 
C22 C 0.1053(17) 0.0154(11) -0.1098(19) 0.029(5) Uiso 1 1 d . . . 
H22A H 0.0938 -0.0252 -0.0826 0.035 Uiso 1 1 calc R . . 
C23 C 0.0640(16) 0.0247(10) -0.2266(19) 0.025(4) Uiso 1 1 d . . . 
H23A H 0.0243 -0.0097 -0.2775 0.030 Uiso 1 1 calc R . . 
C24 C 0.0768(18) 0.0838(11) -0.278(2) 0.032(5) Uiso 1 1 d . . . 
C25 C 0.1395(18) 0.1330(11) -0.195(2) 0.034(5) Uiso 1 1 d . . . 
H25A H 0.1520 0.1727 -0.2244 0.040 Uiso 1 1 calc R . . 
C26 C 0.1829(17) 0.1248(11) -0.0729(19) 0.028(5) Uiso 1 1 d . . . 
H26A H 0.2232 0.1591 -0.0226 0.034 Uiso 1 1 calc R . . 
C27 C 0.0271(19) 0.0959(12) -0.404(2) 0.040(6) Uiso 1 1 d . . . 
H27A H -0.0383 0.0707 -0.4299 0.061 Uiso 1 1 calc R . . 
H27B H 0.0919 0.0772 -0.4673 0.061 Uiso 1 1 calc R . . 
H27C H -0.0053 0.1478 -0.3979 0.061 Uiso 1 1 calc R . . 
C28 C 0.3158(16) 0.1076(10) 0.4588(18) 0.024(4) Uiso 1 1 d . . . 
C29 C 0.3277(15) 0.1650(10) 0.5262(17) 0.019(4) Uiso 1 1 d . . . 
C30 C 0.3421(17) 0.2304(10) 0.6222(19) 0.030(5) Uiso 1 1 d . . . 
C31 C 0.3207(17) 0.3001(10) 0.593(2) 0.032(5) Uiso 1 1 d . . . 
H31A H 0.3018 0.3043 0.5074 0.038 Uiso 1 1 calc R . . 
C32 C 0.3269(19) 0.3624(12) 0.686(2) 0.043(6) Uiso 1 1 d . . . 
H32A H 0.3136 0.4075 0.6630 0.052 Uiso 1 1 calc R . . 
C33 C 0.353(2) 0.3590(12) 0.815(2) 0.043(6) Uiso 1 1 d . . . 
C34 C 0.3790(18) 0.2905(11) 0.843(2) 0.039(5) Uiso 1 1 d . . . 
H34A H 0.4000 0.2872 0.9283 0.046 Uiso 1 1 calc R . . 
C35 C 0.3764(17) 0.2265(11) 0.753(2) 0.032(5) Uiso 1 1 d . . . 
H35A H 0.3966 0.1813 0.7769 0.039 Uiso 1 1 calc R . . 
C36 C 0.350(2) 0.4296(14) 0.918(3) 0.066(8) Uiso 1 1 d . . . 
H36A H 0.2813 0.4680 0.9010 0.099 Uiso 1 1 calc R . . 
H36B H 0.4260 0.4444 0.9162 0.099 Uiso 1 1 calc R . . 
H36C H 0.3404 0.4211 1.0025 0.099 Uiso 1 1 calc R . . 
C100 C 0.035(2) 0.2134(13) 0.332(2) 0.048(6) Uiso 1 1 d . . . 
H10B H 0.1120 0.1763 0.3336 0.080 Uiso 1 1 d . . . 
Cl1 Cl 0.0339(8) 0.2547(4) 0.2004(7) 0.083(2) Uani 1 1 d . . . 
Cl2 Cl -0.0910(6) 0.1745(4) 0.3221(8) 0.072(2) Uani 1 1 d . . . 
Cl3 Cl 0.0255(6) 0.2827(4) 0.4770(7) 0.071(2) Uani 1 1 d . . . 
C101 C 0.619(4) 0.395(3) 0.324(6) 0.049(9) Uiso 0.55(5) 1 d P A 1 
H10C H 0.6578 0.3494 0.2615 0.080 Uiso 0.55 1 d P A 1 
C111 C 0.596(5) 0.428(4) 0.387(7) 0.049(9) Uiso 0.45(5) 1 d P A 2 
H11A H 0.5954 0.4692 0.4503 0.080 Uiso 0.45 1 d P A 2 
Cl4 Cl 0.5282(7) 0.3728(4) 0.4484(7) 0.0667(19) Uani 1 1 d . . . 
Cl5 Cl 0.5190(8) 0.4531(5) 0.2521(9) 0.097(3) Uani 1 1 d . . . 
Cl6 Cl 0.7387(15) 0.4350(10) 0.4120(17) 0.082(3) Uiso 0.497(13) 1 d P A 1 
Cl6A Cl 0.7473(15) 0.3834(10) 0.3552(17) 0.082(3) Uiso 0.503(13) 1 d P A 2 
C102 C 0.060(3) 0.4470(15) 0.276(3) 0.069(8) Uiso 1 1 d . . . 
H10D H 0.0157 0.4150 0.3066 0.080 Uiso 1 1 d . . . 
Cl7 Cl 0.102(4) 0.406(2) 0.098(4) 0.123(5) Uiso 0.34(2) 1 d P B 3 
Cl7A Cl 0.027(2) 0.4356(11) 0.1192(18) 0.123(5) Uiso 0.66(2) 1 d P B 4 
Cl8 Cl 0.0025(14) 0.5405(8) 0.365(2) 0.098(4) Uiso 0.69(2) 1 d P B 3 
Cl8A Cl -0.030(3) 0.5277(18) 0.288(4) 0.098(4) Uiso 0.31(2) 1 d P B 4 
Cl9 Cl 0.2144(8) 0.4234(5) 0.3227(11) 0.109(3) Uani 1 1 d . B . 
 
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 0.0266(5) 0.0264(5) 0.0134(5) 0.0020(3) 0.0055(3) -0.0094(3) 
Cl1 0.125(6) 0.059(4) 0.062(5) 0.023(4) 0.042(5) 0.002(4) 
Cl2 0.071(4) 0.071(5) 0.089(6) 0.030(4) -0.028(4) -0.040(4) 
Cl3 0.077(5) 0.066(4) 0.051(4) -0.015(3) -0.011(4) -0.013(4) 
Cl4 0.095(5) 0.056(4) 0.057(5) 0.021(3) -0.008(4) -0.029(4) 
Cl5 0.096(6) 0.126(7) 0.079(6) 0.059(6) 0.011(5) -0.008(5) 
Cl9 0.087(6) 0.102(7) 0.137(9) 0.044(6) 0.002(6) -0.006(5) 
 
_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 C28 1.940(19) . ? 
Pt1 C19 1.947(17) . ? 
Pt1 N2 2.040(15) . ? 
Pt1 N1 2.065(14) . ? 
N1 C5 1.35(2) . ? 
N1 C1 1.32(2) . ? 
N2 C10 1.33(2) . ? 
N2 C6 1.34(2) . ? 
C1 C2 1.39(3) . ? 
C2 C3 1.39(3) . ? 
C3 C4 1.37(3) . ? 
C3 C11 1.55(3) . ? 
C4 C5 1.40(3) . ? 
C5 C6 1.44(3) . ? 
C6 C7 1.44(3) . ? 
C7 C8 1.39(3) . ? 
C8 C9 1.37(3) . ? 
C8 C15 1.55(3) . ? 
C9 C10 1.38(3) . ? 
C11 C13 1.54(3) . ? 
C11 C14 1.51(3) . ? 
C11 C12 1.52(3) . ? 
C15 C18 1.50(3) . ? 
C15 C17 1.51(3) . ? 
C15 C16 1.51(3) . ? 
C19 C20 1.25(2) . ? 
C20 C21 1.38(2) . ? 
C21 C26 1.40(3) . ? 
C21 C22 1.45(3) . ? 
C22 C23 1.32(3) . ? 
C23 C24 1.41(3) . ? 
C24 C25 1.41(3) . ? 
C24 C27 1.45(3) . ? 
C25 C26 1.38(3) . ? 
C28 C29 1.20(2) . ? 
C29 C30 1.45(3) . ? 
C30 C35 1.42(3) . ? 
C30 C31 1.40(3) . ? 
C31 C32 1.37(3) . ? 
C32 C33 1.38(3) . ? 
C33 C34 1.37(3) . ? 
C33 C36 1.52(3) . ? 
C34 C35 1.37(3) . ? 
C100 Cl2 1.73(2) . ? 
C100 Cl3 1.77(2) . ? 
C100 Cl1 1.76(2) . ? 
C101 Cl5 1.65(5) . ? 
C101 Cl6 1.79(5) . ? 
C101 Cl4 1.90(5) . ? 
C111 Cl4 1.70(5) . ? 
C111 Cl6A 1.70(6) . ? 
C111 Cl5 1.72(6) . ? 
C102 Cl8A 1.60(4) . ? 
C102 Cl7A 1.65(3) . ? 
C102 Cl9 1.73(3) . ? 
C102 Cl8 1.80(3) . ? 
C102 Cl7 1.91(5) . ? 
Cl7A Cl8A 2.20(4) . ? 
 
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 
C28 Pt1 C19 91.7(7) . . ? 
C28 Pt1 N2 94.7(7) . . ? 
C19 Pt1 N2 173.6(6) . . ? 
C28 Pt1 N1 173.1(7) . . ? 
C19 Pt1 N1 95.0(6) . . ? 
N2 Pt1 N1 78.6(6) . . ? 
C5 N1 C1 119.2(16) . . ? 
C5 N1 Pt1 115.7(12) . . ? 
C1 N1 Pt1 124.9(13) . . ? 
C10 N2 C6 117.6(16) . . ? 
C10 N2 Pt1 127.7(13) . . ? 
C6 N2 Pt1 114.7(13) . . ? 
N1 C1 C2 122.7(18) . . ? 
C3 C2 C1 119.1(18) . . ? 
C4 C3 C2 117.9(17) . . ? 
C4 C3 C11 123.0(17) . . ? 
C2 C3 C11 119.1(17) . . ? 
C3 C4 C5 120.5(18) . . ? 
N1 C5 C4 120.4(17) . . ? 
N1 C5 C6 113.6(16) . . ? 
C4 C5 C6 125.9(18) . . ? 
N2 C6 C7 119.6(17) . . ? 
N2 C6 C5 117.4(17) . . ? 
C7 C6 C5 123.0(17) . . ? 
C8 C7 C6 121.1(17) . . ? 
C9 C8 C7 116.6(17) . . ? 
C9 C8 C15 122.7(17) . . ? 
C7 C8 C15 120.7(16) . . ? 
C8 C9 C10 119.7(19) . . ? 
N2 C10 C9 125.2(18) . . ? 
C13 C11 C14 110.7(18) . . ? 
C13 C11 C3 111.2(17) . . ? 
C14 C11 C3 108.8(16) . . ? 
C13 C11 C12 107.2(18) . . ? 
C14 C11 C12 110.8(18) . . ? 
C3 C11 C12 108.1(16) . . ? 
C18 C15 C17 110.1(16) . . ? 
C18 C15 C16 109.5(17) . . ? 
C17 C15 C16 112.5(17) . . ? 
C18 C15 C8 110.7(16) . . ? 
C17 C15 C8 105.7(15) . . ? 
C16 C15 C8 108.3(16) . . ? 
C20 C19 Pt1 172.1(15) . . ? 
C19 C20 C21 175.0(18) . . ? 
C26 C21 C20 122.9(16) . . ? 
C26 C21 C22 114.7(17) . . ? 
C20 C21 C22 122.4(16) . . ? 
C23 C22 C21 122.5(18) . . ? 
C22 C23 C24 123.6(18) . . ? 
C23 C24 C25 114.5(18) . . ? 
C23 C24 C27 123.8(18) . . ? 
C25 C24 C27 121.6(19) . . ? 
C26 C25 C24 123.0(19) . . ? 
C25 C26 C21 121.6(18) . . ? 
C29 C28 Pt1 173.3(17) . . ? 
C28 C29 C30 173(2) . . ? 
C35 C30 C31 116.8(18) . . ? 
C35 C30 C29 120.6(17) . . ? 
C31 C30 C29 122.6(18) . . ? 
C32 C31 C30 122(2) . . ? 
C33 C32 C31 121(2) . . ? 
C32 C33 C34 117(2) . . ? 
C32 C33 C36 120(2) . . ? 
C34 C33 C36 123(2) . . ? 
C35 C34 C33 124(2) . . ? 
C34 C35 C30 118.8(19) . . ? 
Cl2 C100 Cl3 109.3(13) . . ? 
Cl2 C100 Cl1 110.4(13) . . ? 
Cl3 C100 Cl1 108.1(13) . . ? 
Cl5 C101 Cl6 113(3) . . ? 
Cl5 C101 Cl4 106(3) . . ? 
Cl6 C101 Cl4 107(3) . . ? 
Cl4 C111 Cl6A 108(3) . . ? 
Cl4 C111 Cl5 113(3) . . ? 
Cl6A C111 Cl5 112(4) . . ? 
C111 Cl4 C101 25(2) . . ? 
C101 Cl5 C111 27(2) . . ? 
Cl8A C102 Cl7A 85(2) . . ? 
Cl8A C102 Cl9 129(2) . . ? 
Cl7A C102 Cl9 118.0(18) . . ? 
Cl8A C102 Cl8 29.1(14) . . ? 
Cl7A C102 Cl8 112.7(18) . . ? 
Cl9 C102 Cl8 105.1(16) . . ? 
Cl8A C102 Cl7 108(3) . . ? 
Cl7A C102 Cl7 28.0(12) . . ? 
Cl9 C102 Cl7 91.0(18) . . ? 
Cl8 C102 Cl7 132(2) . . ? 
C102 Cl7A Cl8A 46.6(15) . . ? 
C102 Cl8A Cl7A 48.5(15) . . ? 
 
_diffrn_measured_fraction_theta_max    0.792 
_diffrn_reflns_theta_full              22.49 
_diffrn_measured_fraction_theta_full   0.792 
_refine_diff_density_max    2.670 
_refine_diff_density_min   -2.359 
_refine_diff_density_rms    0.338