# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/1932 data_1 _audit_creation_method SHELXL _chemical_name_systematic ; ? ; _chemical_name_common 'C25 H21 Cl N2 O P2 Pd S2' _chemical_formula_moiety 'C25 H21 Cl N2 O P2 Pd S2' _chemical_formula_structural 'C25 H21 Cl N2 O P2 Pd S2' _chemical_formula_analytical 'C25 H21 Cl N2 O P2 Pd S2' _chemical_formula_sum 'C25 H21 Cl N2 O P2 Pd S2' _chemical_formula_weight 633.35 _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' 'O' 'O' 0.0106 0.0060 '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' 'S' 'S' 0.1246 0.1234 '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' 'Pd' 'Pd' -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbca 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' '-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 12.2320(2) _cell_length_b 18.5402(3) _cell_length_c 24.4688(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 5549.13(14) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 67 _cell_measurement_theta_min 12 _cell_measurement_theta_max 168 _exptl_crystal_description plate _exptl_crystal_colour orange _exptl_crystal_size_max .02 _exptl_crystal_size_mid .13 _exptl_crystal_size_min .18 _exptl_crystal_density_meas - _exptl_crystal_density_diffrn 1.516 _exptl_crystal_density_method - _exptl_crystal_F_000 2544 _exptl_absorpt_coefficient_mu 1.052 _exptl_absorpt_correction_type sadabs _exptl_absorpt_correction_T_min 0.700714 _exptl_absorpt_correction_T_max 1.00000 _exptl_special_details ; 1 idealised phenyl ring ; _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 25983 _diffrn_reflns_av_R_equivalents 0.0834 _diffrn_reflns_av_sigmaI/netI 0.0503 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_theta_min 1.66 _diffrn_reflns_theta_max 23.26 _reflns_number_total 3982 _reflns_number_observed 2568 _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^)+(0.0402P)^2^+12.7192P] 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 0.00002(6) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3932 _refine_ls_number_parameters 300 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0967 _refine_ls_R_factor_obs 0.0504 _refine_ls_wR_factor_all 0.1304 _refine_ls_wR_factor_obs 0.1015 _refine_ls_goodness_of_fit_all 1.070 _refine_ls_goodness_of_fit_obs 1.131 _refine_ls_restrained_S_all 1.149 _refine_ls_restrained_S_obs 1.130 _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 Pd1 Pd 0.76918(4) 0.12777(3) 0.87460(2) 0.0539(2) Uani 1 d . . Cl1 Cl 0.9214(2) 0.18923(11) 0.84552(8) 0.0755(6) Uani 1 d . . S1 S 0.8549(2) 0.11331(10) 0.95867(7) 0.0640(5) Uani 1 d . . P1 P 0.77098(15) 0.02802(10) 0.98486(7) 0.0534(5) Uani 1 d . . N1 N 0.6364(4) 0.0391(3) 0.9823(2) 0.0563(15) Uani 1 d D . H1N H 0.5985(46) 0.0147(31) 1.0122(17) 0.076(22) Uiso 1 d D . C25 C 0.5734(6) 0.0499(4) 0.9357(3) 0.057(2) Uani 1 d . . O25 O 0.4761(4) 0.0323(3) 0.9357(2) 0.0670(14) Uani 1 d . . N2 N 0.6226(4) 0.0802(3) 0.8918(2) 0.0556(15) Uani 1 d . . P2 P 0.5534(2) 0.09689(11) 0.83530(7) 0.0579(5) Uani 1 d . . S2 S 0.6760(2) 0.14124(12) 0.79169(7) 0.0723(6) Uani 1 d . . C1 C 0.7953(5) 0.0135(4) 1.0558(3) 0.056(2) Uani 1 d . . C2 C 0.8491(7) -0.0463(5) 1.0749(3) 0.087(3) Uani 1 d . . H2A H 0.8738(7) -0.0813(5) 1.0507(3) 0.104 Uiso 1 calc R . C3 C 0.8667(8) -0.0540(7) 1.1308(4) 0.115(4) Uani 1 d . . H3A H 0.9019(8) -0.0949(7) 1.1441(4) 0.138 Uiso 1 calc R . C4 C 0.8327(8) -0.0022(7) 1.1660(4) 0.098(3) Uani 1 d . . H4A H 0.8468(8) -0.0077(7) 1.2032(4) 0.118 Uiso 1 calc R . C5 C 0.7787(9) 0.0574(5) 1.1486(3) 0.099(3) Uani 1 d . . H5A H 0.7549(9) 0.0922(5) 1.1732(3) 0.118 Uiso 1 calc R . C6 C 0.7598(8) 0.0652(4) 1.0934(3) 0.085(3) Uani 1 d . . H6A H 0.7227(8) 0.1058(4) 1.0808(3) 0.102 Uiso 1 calc R . C7 C 0.8015(6) -0.0536(4) 0.9493(3) 0.059(2) Uani 1 d . . C8 C 0.9018(7) -0.0642(5) 0.9244(3) 0.088(3) Uani 1 d . . H8A H 0.9534(7) -0.0273(5) 0.9235(3) 0.106 Uiso 1 calc R . C9 C 0.9244(9) -0.1305(6) 0.9006(4) 0.109(3) Uani 1 d . . H9A H 0.9923(9) -0.1381(6) 0.8846(4) 0.131 Uiso 1 calc R . C10 C 0.8487(12) -0.1852(6) 0.9003(5) 0.127(4) Uani 1 d . . H10A H 0.8647(12) -0.2293(6) 0.8841(5) 0.152 Uiso 1 calc R . C11 C 0.7508(10) -0.1738(6) 0.9240(5) 0.129(4) Uani 1 d . . H11A H 0.6988(10) -0.2104(6) 0.9236(5) 0.154 Uiso 1 calc R . C12 C 0.7260(8) -0.1093(5) 0.9486(4) 0.102(3) Uani 1 d . . H12A H 0.6580(8) -0.1030(5) 0.9649(4) 0.122 Uiso 1 calc R . C13 C 0.5046(6) 0.0152(4) 0.8046(3) 0.064(2) Uani 1 d . . C14 C 0.5475(7) -0.0507(5) 0.8201(3) 0.082(2) Uani 1 d . . H14A H 0.5981(7) -0.0533(5) 0.8484(3) 0.098 Uiso 1 calc R . C15 C 0.5147(10) -0.1135(5) 0.7929(4) 0.105(3) Uani 1 d . . H15A H 0.5431(10) -0.1580(5) 0.8031(4) 0.126 Uiso 1 calc R . C16 C 0.4401(9) -0.1088(6) 0.7510(4) 0.099(3) Uani 1 d . . H16A H 0.4183(9) -0.1506(6) 0.7330(4) 0.119 Uiso 1 calc R . C17 C 0.3976(8) -0.0443(6) 0.7352(4) 0.099(3) Uani 1 d . . H17A H 0.3479(8) -0.0421(6) 0.7065(4) 0.119 Uiso 1 calc R . C18 C 0.4286(6) 0.0176(5) 0.7620(3) 0.078(2) Uani 1 d . . H18A H 0.3986(6) 0.0617(5) 0.7516(3) 0.094 Uiso 1 calc R . C19 C 0.4423(4) 0.1599(3) 0.8429(3) 0.066(2) Uani 1 d G . C20 C 0.4142(7) 0.2015(4) 0.7978(2) 0.123(4) Uani 1 d G . H20A H 0.4561(10) 0.1980(6) 0.7648(3) 0.148 Uiso 1 d G . C21 C 0.3253(7) 0.2481(4) 0.8005(3) 0.137(4) Uani 1 d G . H21A H 0.3059(11) 0.2768(5) 0.7694(4) 0.165 Uiso 1 d G . C22 C 0.2646(5) 0.2531(4) 0.8484(5) 0.129(4) Uani 1 d G . H22A H 0.2032(6) 0.2852(5) 0.8503(6) 0.155 Uiso 1 d G . C23 C 0.2927(7) 0.2115(5) 0.8935(4) 0.232(10) Uani 1 d G . H23A H 0.2507(10) 0.2150(7) 0.9266(5) 0.278 Uiso 1 d G . C24 C 0.3816(7) 0.1649(4) 0.8908(3) 0.219(9) Uani 1 d G . H24A H 0.4010(11) 0.1362(6) 0.9220(3) 0.263 Uiso 1 d G . 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 Pd1 0.0538(4) 0.0592(4) 0.0486(3) 0.0045(3) 0.0067(3) -0.0028(3) Cl1 0.0660(13) 0.0805(14) 0.0799(14) 0.0126(11) 0.0121(10) -0.0105(11) S1 0.0617(12) 0.0699(13) 0.0606(11) 0.0060(9) -0.0045(9) -0.0133(10) P1 0.0490(11) 0.0611(12) 0.0503(10) 0.0034(9) -0.0008(9) -0.0048(10) N1 0.048(3) 0.079(4) 0.042(3) 0.015(3) 0.001(3) -0.007(3) C25 0.049(5) 0.077(5) 0.045(4) 0.007(4) 0.000(4) -0.006(4) O25 0.048(3) 0.101(4) 0.052(3) 0.019(3) -0.001(2) -0.014(3) N2 0.055(4) 0.072(4) 0.040(3) 0.013(3) 0.002(3) -0.007(3) P2 0.0563(12) 0.0729(13) 0.0445(10) 0.0082(9) -0.0004(9) -0.0052(10) S2 0.0698(13) 0.098(2) 0.0491(11) 0.0163(10) 0.0059(9) -0.0116(12) C1 0.051(4) 0.062(5) 0.057(4) 0.008(4) -0.005(3) -0.004(4) C2 0.087(6) 0.104(7) 0.070(6) 0.012(5) -0.001(5) 0.032(6) C3 0.095(7) 0.160(10) 0.090(8) 0.039(7) -0.004(6) 0.051(7) C4 0.088(7) 0.145(10) 0.061(6) 0.020(6) -0.017(5) -0.001(7) C5 0.151(9) 0.091(7) 0.054(5) 0.000(5) -0.017(6) -0.001(7) C6 0.133(8) 0.068(5) 0.055(5) 0.006(4) -0.013(5) 0.013(5) C7 0.058(5) 0.059(5) 0.059(5) 0.000(4) -0.003(4) -0.010(4) C8 0.078(6) 0.097(7) 0.091(6) -0.025(5) 0.022(5) -0.014(5) C9 0.105(8) 0.115(8) 0.107(7) -0.019(7) 0.050(6) 0.006(7) C10 0.155(11) 0.082(7) 0.144(10) -0.030(7) 0.048(9) -0.007(8) C11 0.129(10) 0.075(7) 0.182(12) -0.034(7) 0.005(9) -0.021(7) C12 0.090(7) 0.077(7) 0.138(9) -0.010(6) 0.021(6) -0.016(6) C13 0.066(5) 0.075(5) 0.052(5) 0.010(4) 0.000(4) -0.005(4) C14 0.115(7) 0.078(6) 0.053(5) 0.008(5) -0.003(5) 0.014(6) C15 0.164(10) 0.066(6) 0.084(7) -0.005(5) 0.009(7) 0.016(7) C16 0.124(8) 0.091(8) 0.083(7) -0.023(6) 0.015(6) -0.016(7) C17 0.109(8) 0.089(7) 0.100(8) -0.019(6) -0.030(6) -0.002(6) C18 0.076(6) 0.078(6) 0.080(6) -0.001(5) -0.011(5) 0.004(5) C19 0.063(5) 0.066(5) 0.070(5) -0.003(4) 0.003(4) -0.008(4) C20 0.164(11) 0.132(9) 0.073(7) 0.011(6) -0.010(6) 0.070(8) C21 0.170(12) 0.117(9) 0.125(10) -0.007(7) -0.027(9) 0.052(9) C22 0.083(7) 0.096(8) 0.207(13) 0.007(9) 0.006(9) 0.001(6) C23 0.202(15) 0.152(12) 0.342(22) 0.152(14) 0.175(15) 0.093(11) C24 0.206(14) 0.167(12) 0.284(18) 0.146(12) 0.171(14) 0.114(11) _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 Pd1 N2 2.042(5) . ? Pd1 Cl1 2.296(2) . ? Pd1 S1 2.325(2) . ? Pd1 S2 2.340(2) . ? Pd1 P2 2.867(2) . ? S1 P1 1.991(3) . ? P1 N1 1.661(6) . ? P1 C1 1.782(7) . ? P1 C7 1.786(7) . ? N1 C25 1.389(8) . ? C25 O25 1.235(7) . ? C25 N2 1.353(8) . ? N2 P2 1.651(5) . ? P2 C13 1.793(8) . ? P2 C19 1.802(5) . ? P2 S2 2.016(3) . ? C1 C2 1.370(10) . ? C1 C6 1.398(10) . ? C2 C3 1.394(11) . ? C3 C4 1.355(12) . ? C4 C5 1.357(12) . ? C5 C6 1.378(10) . ? C7 C12 1.386(10) . ? C7 C8 1.385(10) . ? C8 C9 1.388(12) . ? C9 C10 1.374(13) . ? C10 C11 1.346(13) . ? C11 C12 1.373(13) . ? C13 C14 1.382(10) . ? C13 C18 1.399(10) . ? C14 C15 1.398(11) . ? C15 C16 1.377(13) . ? C16 C17 1.359(12) . ? C17 C18 1.375(11) . ? C19 C20 1.39 . ? C19 C24 1.39 . ? C20 C21 1.39 . ? C21 C22 1.39 . ? C22 C23 1.39 . ? C23 C24 1.39 . ? 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 N2 Pd1 Cl1 172.04(15) . . ? N2 Pd1 S1 99.41(15) . . ? Cl1 Pd1 S1 88.02(7) . . ? N2 Pd1 S2 78.33(15) . . ? Cl1 Pd1 S2 94.20(7) . . ? S1 Pd1 S2 177.66(7) . . ? N2 Pd1 P2 34.39(14) . . ? Cl1 Pd1 P2 137.89(7) . . ? S1 Pd1 P2 133.56(6) . . ? S2 Pd1 P2 44.13(6) . . ? P1 S1 Pd1 98.27(9) . . ? N1 P1 C1 102.8(3) . . ? N1 P1 C7 107.1(3) . . ? C1 P1 C7 108.2(3) . . ? N1 P1 S1 113.6(2) . . ? C1 P1 S1 110.4(2) . . ? C7 P1 S1 114.1(2) . . ? C25 N1 P1 126.8(5) . . ? O25 C25 N2 122.5(6) . . ? O25 C25 N1 119.8(6) . . ? N2 C25 N1 117.7(6) . . ? C25 N2 P2 121.0(5) . . ? C25 N2 Pd1 137.2(5) . . ? P2 N2 Pd1 101.3(3) . . ? N2 P2 C13 111.3(3) . . ? N2 P2 C19 114.9(3) . . ? C13 P2 C19 109.9(3) . . ? N2 P2 S2 98.0(2) . . ? C13 P2 S2 111.8(2) . . ? C19 P2 S2 110.6(2) . . ? N2 P2 Pd1 44.3(2) . . ? C13 P2 Pd1 128.0(3) . . ? C19 P2 Pd1 122.0(2) . . ? S2 P2 Pd1 53.92(7) . . ? P2 S2 Pd1 81.94(8) . . ? C2 C1 C6 118.7(7) . . ? C2 C1 P1 122.3(6) . . ? C6 C1 P1 119.0(6) . . ? C1 C2 C3 119.4(9) . . ? C4 C3 C2 120.3(9) . . ? C3 C4 C5 121.7(9) . . ? C4 C5 C6 118.4(9) . . ? C5 C6 C1 121.4(8) . . ? C12 C7 C8 118.7(8) . . ? C12 C7 P1 119.9(6) . . ? C8 C7 P1 121.3(6) . . ? C7 C8 C9 119.1(8) . . ? C10 C9 C8 121.5(9) . . ? C11 C10 C9 118.8(10) . . ? C10 C11 C12 121.5(10) . . ? C11 C12 C7 120.5(9) . . ? C14 C13 C18 119.0(8) . . ? C14 C13 P2 120.4(6) . . ? C18 C13 P2 120.4(6) . . ? C13 C14 C15 119.8(8) . . ? C16 C15 C14 119.5(9) . . ? C17 C16 C15 121.4(9) . . ? C16 C17 C18 119.6(9) . . ? C17 C18 C13 120.8(8) . . ? C20 C19 C24 120.0 . . ? C20 C19 P2 117.7(4) . . ? C24 C19 P2 122.3(4) . . ? C19 C20 C21 120.0 . . ? C20 C21 C22 120.0 . . ? C23 C22 C21 120.0 . . ? C24 C23 C22 120.0 . . ? C23 C24 C19 120.0 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag N2 Pd1 S1 P1 24.9(2) . . . . ? Cl1 Pd1 S1 P1 -157.99(10) . . . . ? S2 Pd1 S1 P1 40.2(19) . . . . ? P2 Pd1 S1 P1 29.44(14) . . . . ? Pd1 S1 P1 N1 -52.4(2) . . . . ? Pd1 S1 P1 C1 -167.2(3) . . . . ? Pd1 S1 P1 C7 70.7(3) . . . . ? C1 P1 N1 C25 -177.7(6) . . . . ? C7 P1 N1 C25 -63.9(7) . . . . ? S1 P1 N1 C25 63.1(6) . . . . ? P1 N1 C25 O25 154.2(6) . . . . ? P1 N1 C25 N2 -26.1(9) . . . . ? O25 C25 N2 P2 1.2(10) . . . . ? N1 C25 N2 P2 -178.5(5) . . . . ? O25 C25 N2 Pd1 171.2(5) . . . . ? N1 C25 N2 Pd1 -8.5(11) . . . . ? Cl1 Pd1 N2 C25 -156.0(9) . . . . ? S1 Pd1 N2 C25 2.9(7) . . . . ? S2 Pd1 N2 C25 -176.5(7) . . . . ? P2 Pd1 N2 C25 -171.3(9) . . . . ? Cl1 Pd1 N2 P2 15.2(14) . . . . ? S1 Pd1 N2 P2 174.1(2) . . . . ? S2 Pd1 N2 P2 -5.2(2) . . . . ? P2 Pd1 N2 P2 0.0 . . . . ? C25 N2 P2 C13 -63.8(6) . . . . ? Pd1 N2 P2 C13 123.2(3) . . . . ? C25 N2 P2 C19 62.0(6) . . . . ? Pd1 N2 P2 C19 -111.1(3) . . . . ? C25 N2 P2 S2 179.1(5) . . . . ? Pd1 N2 P2 S2 6.0(3) . . . . ? C25 N2 P2 Pd1 173.1(7) . . . . ? Pd1 N2 P2 Pd1 0.0 . . . . ? N2 Pd1 P2 N2 0.000(1) . . . . ? Cl1 Pd1 P2 N2 -176.9(3) . . . . ? S1 Pd1 P2 N2 -8.0(3) . . . . ? S2 Pd1 P2 N2 172.6(3) . . . . ? N2 Pd1 P2 C13 -81.9(4) . . . . ? Cl1 Pd1 P2 C13 101.2(3) . . . . ? S1 Pd1 P2 C13 -89.9(3) . . . . ? S2 Pd1 P2 C13 90.7(3) . . . . ? N2 Pd1 P2 C19 94.1(4) . . . . ? Cl1 Pd1 P2 C19 -82.8(3) . . . . ? S1 Pd1 P2 C19 86.1(3) . . . . ? S2 Pd1 P2 C19 -93.3(3) . . . . ? N2 Pd1 P2 S2 -172.6(3) . . . . ? Cl1 Pd1 P2 S2 10.49(14) . . . . ? S1 Pd1 P2 S2 179.37(11) . . . . ? S2 Pd1 P2 S2 0.0 . . . . ? N2 P2 S2 Pd1 -5.2(2) . . . . ? C13 P2 S2 Pd1 -122.0(3) . . . . ? C19 P2 S2 Pd1 115.3(2) . . . . ? Pd1 P2 S2 Pd1 0.0 . . . . ? N2 Pd1 S2 P2 4.2(2) . . . . ? Cl1 Pd1 S2 P2 -172.97(9) . . . . ? S1 Pd1 S2 P2 -11.1(19) . . . . ? P2 Pd1 S2 P2 0.0 . . . . ? N1 P1 C1 C2 124.9(6) . . . . ? C7 P1 C1 C2 11.9(7) . . . . ? S1 P1 C1 C2 -113.6(6) . . . . ? N1 P1 C1 C6 -56.1(7) . . . . ? C7 P1 C1 C6 -169.2(6) . . . . ? S1 P1 C1 C6 65.4(6) . . . . ? C6 C1 C2 C3 0.2(12) . . . . ? P1 C1 C2 C3 179.2(7) . . . . ? C1 C2 C3 C4 -1.3(15) . . . . ? C2 C3 C4 C5 1.6(17) . . . . ? C3 C4 C5 C6 -0.9(16) . . . . ? C4 C5 C6 C1 -0.2(14) . . . . ? C2 C1 C6 C5 0.5(13) . . . . ? P1 C1 C6 C5 -178.5(7) . . . . ? N1 P1 C7 C12 -30.3(8) . . . . ? C1 P1 C7 C12 79.9(7) . . . . ? S1 P1 C7 C12 -156.9(6) . . . . ? N1 P1 C7 C8 152.9(6) . . . . ? C1 P1 C7 C8 -97.0(7) . . . . ? S1 P1 C7 C8 26.3(7) . . . . ? C12 C7 C8 C9 -1.5(13) . . . . ? P1 C7 C8 C9 175.4(7) . . . . ? C7 C8 C9 C10 1.4(16) . . . . ? C8 C9 C10 C11 -0.4(19) . . . . ? C9 C10 C11 C12 -0.7(20) . . . . ? C10 C11 C12 C7 0.6(19) . . . . ? C8 C7 C12 C11 0.5(14) . . . . ? P1 C7 C12 C11 -176.4(8) . . . . ? N2 P2 C13 C14 -15.9(7) . . . . ? C19 P2 C13 C14 -144.4(6) . . . . ? S2 P2 C13 C14 92.5(6) . . . . ? Pd1 P2 C13 C14 32.0(8) . . . . ? N2 P2 C13 C18 168.9(6) . . . . ? C19 P2 C13 C18 40.4(7) . . . . ? S2 P2 C13 C18 -82.7(6) . . . . ? Pd1 P2 C13 C18 -143.2(5) . . . . ? C18 C13 C14 C15 0.1(12) . . . . ? P2 C13 C14 C15 -175.2(7) . . . . ? C13 C14 C15 C16 0.2(14) . . . . ? C14 C15 C16 C17 0.1(15) . . . . ? C15 C16 C17 C18 -0.7(16) . . . . ? C16 C17 C18 C13 1.1(14) . . . . ? C14 C13 C18 C17 -0.7(12) . . . . ? P2 C13 C18 C17 174.5(7) . . . . ? N2 P2 C19 C20 150.8(4) . . . . ? C13 P2 C19 C20 -82.8(5) . . . . ? S2 P2 C19 C20 41.1(5) . . . . ? Pd1 P2 C19 C20 100.6(4) . . . . ? N2 P2 C19 C24 -32.9(5) . . . . ? C13 P2 C19 C24 93.5(5) . . . . ? S2 P2 C19 C24 -142.6(4) . . . . ? Pd1 P2 C19 C24 -83.1(5) . . . . ? C24 C19 C20 C21 0.0 . . . . ? P2 C19 C20 C21 176.4(4) . . . . ? C19 C20 C21 C22 0.0 . . . . ? C20 C21 C22 C23 0.0 . . . . ? C21 C22 C23 C24 0.0 . . . . ? C22 C23 C24 C19 0.0 . . . . ? C20 C19 C24 C23 0.0 . . . . ? P2 C19 C24 C23 -176.3(5) . . . . ? _refine_diff_density_max 0.668 _refine_diff_density_min -0.414 _refine_diff_density_rms 0.079