# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_address ; Department of Chemistry Indian Institute of Technology Hauz Khas, New Delhi 110016 India ; _publ_contact_author_email aksingh@chemistry.iitd.ac.in _publ_contact_author_fax +91-11-26582277 _publ_contact_author_phone +91-11-26591507 _publ_contact_author_name A.K.Singh loop_ _publ_author_name A.K.Singh G.K.Rao data_Complex_1 _database_code_depnum_ccdc_archive 'CCDC 823568' #TrackingRef 'CIF of 1.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C24 H22 Cl N O4 Pd Se, C H Cl3' _chemical_formula_sum 'C25 H23 Cl4 N O4 Pd Se' _chemical_formula_weight 728.60 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Se Se -0.0929 2.2259 '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 Monoclinic _symmetry_space_group_name_H-M C2/c _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_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 22.333(3) _cell_length_b 10.6408(15) _cell_length_c 25.506(4) _cell_angle_alpha 90.00 _cell_angle_beta 111.481(2) _cell_angle_gamma 90.00 _cell_volume 5640.2(14) _cell_formula_units_Z 8 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 5882 _cell_measurement_theta_min 2.18 _cell_measurement_theta_max 24.46 _exptl_crystal_description Rods _exptl_crystal_colour Orange _exptl_crystal_size_max 0.453 _exptl_crystal_size_mid 0.215 _exptl_crystal_size_min 0.157 _exptl_crystal_density_meas 1.731 _exptl_crystal_density_diffrn 1.722 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2880 _exptl_absorpt_coefficient_mu 2.359 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.087 _exptl_absorpt_correction_T_max 0.203 _exptl_absorpt_process_details '(SADABS; Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 298(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 26023 _diffrn_reflns_av_R_equivalents 0.0485 _diffrn_reflns_av_sigmaI/netI 0.0393 _diffrn_reflns_limit_h_min -26 _diffrn_reflns_limit_h_max 26 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 1.72 _diffrn_reflns_theta_max 25.00 _reflns_number_total 4962 _reflns_number_gt 3892 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0996P)^2^+34.1325P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 4962 _refine_ls_number_parameters 326 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0789 _refine_ls_R_factor_gt 0.0630 _refine_ls_wR_factor_ref 0.1835 _refine_ls_wR_factor_gt 0.1733 _refine_ls_goodness_of_fit_ref 1.043 _refine_ls_restrained_S_all 1.043 _refine_ls_shift/su_max 0.000 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pd1 Pd 0.07232(2) -0.23803(5) 0.24510(2) 0.0481(2) Uani 1 1 d . . . Se1 Se 0.09854(3) -0.42213(7) 0.30323(4) 0.0579(3) Uani 1 1 d . . . Cl1 Cl 0.04434(11) -0.38309(17) 0.17297(9) 0.0692(5) Uani 1 1 d . . . N1 N 0.0993(3) -0.1047(6) 0.3055(2) 0.0632(16) Uani 1 1 d . . . C11 C 0.0711(3) 0.0749(6) 0.2404(3) 0.0484(16) Uani 1 1 d . . . O4 O 0.0433(2) -0.1102(4) 0.1834(2) 0.0566(12) Uani 1 1 d . . . C10 C 0.0437(3) 0.0097(6) 0.1891(3) 0.0481(15) Uani 1 1 d . . . C14 C 0.0964(3) 0.0114(7) 0.2945(3) 0.0549(17) Uani 1 1 d . . . H14 H 0.1128 0.0640 0.3256 0.066 Uiso 1 1 calc R . . O3 O -0.0198(3) 0.2787(5) 0.0937(2) 0.0661(14) Uani 1 1 d . . . C9 C 0.0143(3) 0.0831(6) 0.1404(3) 0.0543(17) Uani 1 1 d . . . H9 H -0.0036 0.0437 0.1055 0.065 Uiso 1 1 calc R . . C12 C 0.0696(3) 0.2069(7) 0.2410(3) 0.0570(18) Uani 1 1 d . . . H12 H 0.0894 0.2487 0.2751 0.068 Uiso 1 1 calc R . . C7 C -0.0842(4) 0.2930(7) 0.0793(3) 0.0619(19) Uani 1 1 d . . . O2 O -0.1133(3) 0.2526(6) 0.1074(3) 0.089(2) Uani 1 1 d . . . C8 C 0.0115(4) 0.2105(7) 0.1433(3) 0.0572(18) Uani 1 1 d . . . C4 C -0.1145(4) 0.3598(7) 0.0248(3) 0.0587(18) Uani 1 1 d . . . C13 C 0.0402(4) 0.2756(6) 0.1935(3) 0.0601(19) Uani 1 1 d . . . H13 H 0.0394 0.3630 0.1946 0.072 Uiso 1 1 calc R . . C3 C -0.0802(4) 0.4056(8) -0.0064(4) 0.075(2) Uani 1 1 d . . . H3 H -0.0357 0.3951 0.0071 0.090 Uiso 1 1 calc R . . C6 C -0.2093(5) 0.4366(10) -0.0463(4) 0.092(3) Uani 1 1 d . . . H6 H -0.2537 0.4474 -0.0599 0.110 Uiso 1 1 calc R . . C5 C -0.1801(4) 0.3769(9) 0.0036(4) 0.082(3) Uani 1 1 d . . . H5 H -0.2047 0.3472 0.0235 0.098 Uiso 1 1 calc R . . C18 C 0.1819(3) -0.4709(7) 0.3038(3) 0.0582(18) Uani 1 1 d . . . C17 C 0.1294(5) -0.3679(8) 0.3817(4) 0.078(2) Uani 1 1 d . . . H17A H 0.0936 -0.3670 0.3946 0.094 Uiso 1 1 calc R . . H17B H 0.1608 -0.4280 0.4045 0.094 Uiso 1 1 calc R . . C23 C 0.2051(4) -0.5859(7) 0.3287(4) 0.068(2) Uani 1 1 d . . . H23 H 0.1807 -0.6349 0.3435 0.082 Uiso 1 1 calc R . . C2 C -0.1094(5) 0.4653(10) -0.0561(4) 0.082(3) Uani 1 1 d . . . H2 H -0.0849 0.4955 -0.0761 0.098 Uiso 1 1 calc R . . C19 C 0.2184(4) -0.3985(8) 0.2821(4) 0.075(2) Uani 1 1 d . . . H19 H 0.2028 -0.3217 0.2653 0.090 Uiso 1 1 calc R . . O1 O -0.2088(4) 0.5394(8) -0.1261(3) 0.106(2) Uani 1 1 d . . . C1 C -0.1749(5) 0.4816(9) -0.0772(4) 0.077(2) Uani 1 1 d . . . C22 C 0.2653(4) -0.6275(9) 0.3313(5) 0.090(3) Uani 1 1 d . . . H22 H 0.2813 -0.7044 0.3477 0.108 Uiso 1 1 calc R . . C16 C 0.1605(6) -0.2357(10) 0.3903(5) 0.098(3) Uani 1 1 d . . . H16A H 0.1817 -0.2210 0.4304 0.118 Uiso 1 1 calc R . . H16B H 0.1934 -0.2351 0.3739 0.118 Uiso 1 1 calc R . . C20 C 0.2773(5) -0.4389(10) 0.2852(5) 0.102(4) Uani 1 1 d . . . H20 H 0.3020 -0.3887 0.2711 0.122 Uiso 1 1 calc R . . C15 C 0.1178(6) -0.1354(9) 0.3670(4) 0.100(3) Uani 1 1 d . . . H15A H 0.1366 -0.0603 0.3883 0.120 Uiso 1 1 calc R . . H15B H 0.0785 -0.1525 0.3736 0.120 Uiso 1 1 calc R . . C21 C 0.3009(4) -0.5528(10) 0.3089(5) 0.093(3) Uani 1 1 d . . . H21 H 0.3409 -0.5800 0.3101 0.112 Uiso 1 1 calc R . . C24 C -0.1748(6) 0.5943(12) -0.1579(4) 0.118(4) Uani 1 1 d . . . H24A H -0.1476 0.6604 -0.1364 0.178 Uiso 1 1 calc R . . H24B H -0.2050 0.6282 -0.1924 0.178 Uiso 1 1 calc R . . H24C H -0.1490 0.5313 -0.1665 0.178 Uiso 1 1 calc R . . Cl2 Cl 0.0596(3) 0.1677(7) -0.0020(3) 0.235(3) Uani 1 1 d . . . Cl5 Cl 0.1874(3) 0.1603(10) 0.0511(3) 0.291(4) Uani 1 1 d . . . Cl3 Cl 0.1202(5) -0.0564(6) 0.0186(4) 0.418(9) Uani 1 1 d . . . C25 C 0.1215(8) 0.0796(13) 0.0428(6) 0.137(5) Uani 1 1 d . . . H25 H 0.1163 0.0737 0.0792 0.164 Uiso 1 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 Pd1 0.0462(3) 0.0324(3) 0.0696(4) 0.0010(2) 0.0257(3) 0.0009(2) Se1 0.0535(4) 0.0416(4) 0.0881(6) 0.0110(3) 0.0371(4) 0.0023(3) Cl1 0.0883(14) 0.0390(9) 0.0925(15) -0.0111(9) 0.0475(12) -0.0018(9) N1 0.065(4) 0.060(4) 0.053(4) -0.001(3) 0.008(3) -0.006(3) C11 0.047(4) 0.045(4) 0.055(4) -0.003(3) 0.020(3) -0.001(3) O4 0.066(3) 0.037(2) 0.063(3) -0.002(2) 0.019(2) 0.003(2) C10 0.043(3) 0.040(4) 0.065(4) -0.001(3) 0.024(3) 0.002(3) C14 0.055(4) 0.049(4) 0.058(4) -0.009(3) 0.018(3) -0.007(3) O3 0.076(4) 0.050(3) 0.077(4) 0.015(3) 0.034(3) 0.011(3) C9 0.059(4) 0.047(4) 0.058(4) 0.002(3) 0.022(3) 0.009(3) C12 0.064(5) 0.042(4) 0.064(5) -0.010(3) 0.022(4) -0.009(3) C7 0.072(5) 0.051(4) 0.071(5) 0.009(4) 0.037(4) 0.017(4) O2 0.081(4) 0.105(5) 0.094(5) 0.035(4) 0.047(4) 0.023(3) C8 0.061(4) 0.047(4) 0.068(5) 0.011(3) 0.029(4) 0.010(3) C4 0.071(5) 0.045(4) 0.063(5) 0.002(3) 0.029(4) 0.012(3) C13 0.074(5) 0.031(3) 0.077(5) 0.001(3) 0.030(4) 0.000(3) C3 0.080(6) 0.075(6) 0.077(6) 0.019(5) 0.039(5) 0.021(5) C6 0.073(6) 0.103(8) 0.089(7) 0.009(6) 0.016(5) 0.027(5) C5 0.076(6) 0.089(6) 0.085(6) 0.020(5) 0.035(5) 0.011(5) C18 0.046(4) 0.043(4) 0.090(5) -0.003(4) 0.031(4) 0.001(3) C17 0.103(7) 0.063(5) 0.083(6) 0.020(4) 0.050(5) 0.013(5) C23 0.058(4) 0.050(4) 0.094(6) -0.001(4) 0.025(4) 0.003(3) C2 0.090(7) 0.091(6) 0.072(6) 0.023(5) 0.038(5) 0.020(5) C19 0.074(5) 0.054(5) 0.117(7) 0.009(5) 0.058(5) 0.008(4) O1 0.106(5) 0.134(6) 0.073(4) 0.030(4) 0.026(4) 0.042(5) C1 0.092(7) 0.076(6) 0.067(5) 0.011(4) 0.034(5) 0.017(5) C22 0.062(5) 0.071(6) 0.127(8) -0.007(6) 0.024(5) 0.016(5) C16 0.107(8) 0.089(7) 0.091(7) 0.001(6) 0.027(6) 0.014(6) C20 0.081(6) 0.085(7) 0.167(11) -0.007(7) 0.078(7) -0.003(6) C15 0.129(9) 0.069(6) 0.073(6) 0.009(5) 0.003(6) -0.001(6) C21 0.058(5) 0.077(6) 0.155(10) -0.019(6) 0.051(6) 0.005(5) C24 0.153(11) 0.137(11) 0.073(7) 0.036(7) 0.051(7) 0.060(9) Cl2 0.209(6) 0.223(7) 0.310(8) -0.032(6) 0.139(5) 0.063(5) Cl5 0.172(5) 0.413(12) 0.223(6) 0.049(8) -0.005(5) -0.097(7) Cl3 0.518(15) 0.140(5) 0.309(9) -0.104(5) -0.190(9) 0.077(7) C25 0.154(13) 0.123(12) 0.117(10) -0.026(8) 0.030(9) -0.027(10) _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 O4 2.000(5) . ? Pd1 N1 2.018(6) . ? Pd1 Cl1 2.305(2) . ? Pd1 Se1 2.3965(9) . ? Se1 C18 1.928(7) . ? Se1 C17 1.951(9) . ? N1 C14 1.264(9) . ? N1 C15 1.504(11) . ? C11 C12 1.404(10) . ? C11 C10 1.409(9) . ? C11 C14 1.451(10) . ? O4 C10 1.284(8) . ? C10 C9 1.410(10) . ? C14 H14 0.9300 . ? O3 C7 1.358(9) . ? O3 C8 1.402(9) . ? C9 C8 1.360(10) . ? C9 H9 0.9300 . ? C12 C13 1.362(11) . ? C12 H12 0.9300 . ? C7 O2 1.208(9) . ? C7 C4 1.484(10) . ? C8 C13 1.389(11) . ? C4 C5 1.376(11) . ? C4 C3 1.382(11) . ? C13 H13 0.9300 . ? C3 C2 1.354(11) . ? C3 H3 0.9300 . ? C6 C5 1.356(12) . ? C6 C1 1.374(13) . ? C6 H6 0.9300 . ? C5 H5 0.9300 . ? C18 C19 1.376(11) . ? C18 C23 1.388(10) . ? C17 C16 1.548(14) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C23 C22 1.392(11) . ? C23 H23 0.9300 . ? C2 C1 1.372(12) . ? C2 H2 0.9300 . ? C19 C20 1.358(12) . ? C19 H19 0.9300 . ? O1 C1 1.348(10) . ? O1 C24 1.423(13) . ? C22 C21 1.386(14) . ? C22 H22 0.9300 . ? C16 C15 1.409(13) . ? C16 H16A 0.9700 . ? C16 H16B 0.9700 . ? C20 C21 1.370(14) . ? C20 H20 0.9300 . ? C15 H15A 0.9700 . ? C15 H15B 0.9700 . ? C21 H21 0.9300 . ? C24 H24A 0.9600 . ? C24 H24B 0.9600 . ? C24 H24C 0.9600 . ? Cl2 C25 1.714(16) . ? Cl5 C25 1.650(16) . ? Cl3 C25 1.569(15) . ? C25 H25 0.9800 . ? 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 O4 Pd1 N1 92.5(2) . . ? O4 Pd1 Cl1 84.95(15) . . ? N1 Pd1 Cl1 176.48(19) . . ? O4 Pd1 Se1 167.97(14) . . ? N1 Pd1 Se1 99.51(19) . . ? Cl1 Pd1 Se1 83.09(6) . . ? C18 Se1 C17 95.4(4) . . ? C18 Se1 Pd1 104.0(2) . . ? C17 Se1 Pd1 107.9(2) . . ? C14 N1 C15 114.7(7) . . ? C14 N1 Pd1 122.7(5) . . ? C15 N1 Pd1 122.3(6) . . ? C12 C11 C10 119.9(6) . . ? C12 C11 C14 117.2(6) . . ? C10 C11 C14 122.6(6) . . ? C10 O4 Pd1 126.8(5) . . ? O4 C10 C11 125.3(6) . . ? O4 C10 C9 118.0(6) . . ? C11 C10 C9 116.7(6) . . ? N1 C14 C11 129.6(7) . . ? N1 C14 H14 115.2 . . ? C11 C14 H14 115.2 . . ? C7 O3 C8 115.6(6) . . ? C8 C9 C10 121.3(7) . . ? C8 C9 H9 119.3 . . ? C10 C9 H9 119.4 . . ? C13 C12 C11 122.2(7) . . ? C13 C12 H12 118.9 . . ? C11 C12 H12 118.9 . . ? O2 C7 O3 123.0(7) . . ? O2 C7 C4 124.5(8) . . ? O3 C7 C4 112.5(6) . . ? C9 C8 C13 122.2(7) . . ? C9 C8 O3 118.9(7) . . ? C13 C8 O3 118.8(6) . . ? C5 C4 C3 117.5(8) . . ? C5 C4 C7 119.1(7) . . ? C3 C4 C7 123.4(7) . . ? C12 C13 C8 117.5(6) . . ? C12 C13 H13 121.3 . . ? C8 C13 H13 121.2 . . ? C2 C3 C4 121.8(8) . . ? C2 C3 H3 119.1 . . ? C4 C3 H3 119.1 . . ? C5 C6 C1 121.6(9) . . ? C5 C6 H6 119.2 . . ? C1 C6 H6 119.2 . . ? C6 C5 C4 120.6(9) . . ? C6 C5 H5 119.7 . . ? C4 C5 H5 119.7 . . ? C19 C18 C23 120.0(7) . . ? C19 C18 Se1 124.0(6) . . ? C23 C18 Se1 116.0(6) . . ? C16 C17 Se1 112.7(6) . . ? C16 C17 H17A 109.0 . . ? Se1 C17 H17A 109.1 . . ? C16 C17 H17B 109.0 . . ? Se1 C17 H17B 109.1 . . ? H17A C17 H17B 107.8 . . ? C18 C23 C22 119.6(8) . . ? C18 C23 H23 120.2 . . ? C22 C23 H23 120.2 . . ? C3 C2 C1 120.3(9) . . ? C3 C2 H2 119.8 . . ? C1 C2 H2 119.8 . . ? C20 C19 C18 120.2(9) . . ? C20 C19 H19 119.9 . . ? C18 C19 H19 119.9 . . ? C1 O1 C24 118.5(8) . . ? O1 C1 C2 125.3(9) . . ? O1 C1 C6 116.5(9) . . ? C2 C1 C6 118.1(8) . . ? C21 C22 C23 119.2(9) . . ? C21 C22 H22 120.4 . . ? C23 C22 H22 120.4 . . ? C15 C16 C17 115.4(10) . . ? C15 C16 H16A 108.5 . . ? C17 C16 H16A 108.5 . . ? C15 C16 H16B 108.4 . . ? C17 C16 H16B 108.4 . . ? H16A C16 H16B 107.5 . . ? C19 C20 C21 120.8(9) . . ? C19 C20 H20 119.6 . . ? C21 C20 H20 119.6 . . ? C16 C15 N1 119.3(10) . . ? C16 C15 H15A 107.5 . . ? N1 C15 H15A 107.5 . . ? C16 C15 H15B 107.5 . . ? N1 C15 H15B 107.5 . . ? H15A C15 H15B 107.0 . . ? C20 C21 C22 120.2(8) . . ? C20 C21 H21 119.9 . . ? C22 C21 H21 119.9 . . ? O1 C24 H24A 109.5 . . ? O1 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? O1 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? Cl3 C25 Cl5 114.7(12) . . ? Cl3 C25 Cl2 110.5(8) . . ? Cl5 C25 Cl2 105.4(9) . . ? Cl3 C25 H25 108.7 . . ? Cl5 C25 H25 108.8 . . ? Cl2 C25 H25 108.7 . . ? 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 O4 Pd1 Se1 C18 86.2(7) . . . . ? N1 Pd1 Se1 C18 -97.6(3) . . . . ? Cl1 Pd1 Se1 C18 80.0(2) . . . . ? O4 Pd1 Se1 C17 -173.3(8) . . . . ? N1 Pd1 Se1 C17 3.0(3) . . . . ? Cl1 Pd1 Se1 C17 -179.4(3) . . . . ? O4 Pd1 N1 C14 -3.3(6) . . . . ? Se1 Pd1 N1 C14 177.5(6) . . . . ? O4 Pd1 N1 C15 170.0(7) . . . . ? Se1 Pd1 N1 C15 -9.2(7) . . . . ? N1 Pd1 O4 C10 -1.9(6) . . . . ? Cl1 Pd1 O4 C10 -179.5(5) . . . . ? Se1 Pd1 O4 C10 174.4(5) . . . . ? Pd1 O4 C10 C11 6.8(10) . . . . ? Pd1 O4 C10 C9 -172.7(4) . . . . ? C12 C11 C10 O4 178.7(6) . . . . ? C14 C11 C10 O4 -6.8(10) . . . . ? C12 C11 C10 C9 -1.7(9) . . . . ? C14 C11 C10 C9 172.8(6) . . . . ? C15 N1 C14 C11 -169.5(8) . . . . ? Pd1 N1 C14 C11 4.2(11) . . . . ? C12 C11 C14 N1 175.3(8) . . . . ? C10 C11 C14 N1 0.7(12) . . . . ? O4 C10 C9 C8 178.4(7) . . . . ? C11 C10 C9 C8 -1.2(10) . . . . ? C10 C11 C12 C13 2.6(11) . . . . ? C14 C11 C12 C13 -172.2(7) . . . . ? C8 O3 C7 O2 1.6(11) . . . . ? C8 O3 C7 C4 -176.8(6) . . . . ? C10 C9 C8 C13 3.4(12) . . . . ? C10 C9 C8 O3 -178.5(6) . . . . ? C7 O3 C8 C9 86.6(8) . . . . ? C7 O3 C8 C13 -95.3(8) . . . . ? O2 C7 C4 C5 -0.9(13) . . . . ? O3 C7 C4 C5 177.5(7) . . . . ? O2 C7 C4 C3 179.8(8) . . . . ? O3 C7 C4 C3 -1.9(11) . . . . ? C11 C12 C13 C8 -0.4(11) . . . . ? C9 C8 C13 C12 -2.6(12) . . . . ? O3 C8 C13 C12 179.3(7) . . . . ? C5 C4 C3 C2 0.1(13) . . . . ? C7 C4 C3 C2 179.5(8) . . . . ? C1 C6 C5 C4 0.2(16) . . . . ? C3 C4 C5 C6 0.0(14) . . . . ? C7 C4 C5 C6 -179.4(9) . . . . ? C17 Se1 C18 C19 -100.8(8) . . . . ? Pd1 Se1 C18 C19 9.2(8) . . . . ? C17 Se1 C18 C23 78.2(7) . . . . ? Pd1 Se1 C18 C23 -171.8(6) . . . . ? C18 Se1 C17 C16 79.0(7) . . . . ? Pd1 Se1 C17 C16 -27.6(7) . . . . ? C19 C18 C23 C22 -0.3(13) . . . . ? Se1 C18 C23 C22 -179.4(7) . . . . ? C4 C3 C2 C1 -0.3(15) . . . . ? C23 C18 C19 C20 -0.3(14) . . . . ? Se1 C18 C19 C20 178.7(8) . . . . ? C24 O1 C1 C2 -3.3(15) . . . . ? C24 O1 C1 C6 176.2(10) . . . . ? C3 C2 C1 O1 -180.0(9) . . . . ? C3 C2 C1 C6 0.5(15) . . . . ? C5 C6 C1 O1 180.0(10) . . . . ? C5 C6 C1 C2 -0.4(16) . . . . ? C18 C23 C22 C21 0.1(14) . . . . ? Se1 C17 C16 C15 68.6(12) . . . . ? C18 C19 C20 C21 1.1(17) . . . . ? C17 C16 C15 N1 -82.9(14) . . . . ? C14 N1 C15 C16 -139.5(10) . . . . ? Pd1 N1 C15 C16 46.8(13) . . . . ? C19 C20 C21 C22 -1.4(18) . . . . ? C23 C22 C21 C20 0.7(16) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.822 _refine_diff_density_min -0.933 _refine_diff_density_rms 0.130