data_shelxl _publ_contact_author_name 'Werner Kaminsky' _publ_contact_author_address ; Department of Chemistry, BOX 351700 University of Washington Seattle, WA 98195 USA ; _publ_contact_author_email 'wernerka@u.washington.edu' _publ_requested_journal 'Journal title here' _publ_section_title ; title here ; 'trans-Dichloro(orthochloroaniline)(triphenylphosphine)palladium(II)' loop_ _publ_author_name _publ_author_address 'Werner Kaminsky' ; Department of Chemistry Univ. of Washington Seattle, WA 98195 USA ; 'Maliha Asma' ; Department of Chemistry Quaid-i-Azam University Islamabad- 45320 Pakistan ; 'Amin Badshah' ; Department of Chemistry Quaid-i-Azam University Islamabad- 45320 Pakistan _publ_section_abstract ; Abstract here ; _publ_section_comment ; Details and comments here ; _publ_section_exptl_prep ; details of preparation here ; _publ_section_exptl_refinement ; All H atoms were initially located in a difference Fourier map and were refined with a riding model. H atoms were placed in geometrically idealised positions and constrained to ride on their parent atoms with C---H distances in the range 0.95-1.00 \%A. U~iso~ values were fixed such that they were 1.2U~eq~ of their parent atom U~eq~ for CH's and 1.5U~eq~ of their parent atom U~eq~ in case of methyl groups. ; _publ_section_references ; Altomare, A.; Cascarano, G.; Giacovazzo, C.; Burla, M.C.; Polidori, G.; Camalli, M. (1994) J. Appl. Cryst. 27, 435-442. MacKay, S.; Gilmore, C.J.; Edwards, C.; Tremayne, M.; Stewart, N.; Shankland, K. (1998) "maXus: a computer program for the solution and refinement of crystal structures from diffraction data" University of Glasgow, Scotland, UK, Nonius BV, Delft, The Netherlands and MacScience Co. Ltd., Yokohama, Japan. Otinowski, Z.; Minor, W. (1996) Methods in Enzymology, 276, 307-326. Sheldrick, G. M. (1997) SHELXL97 University of G\"ottingen, Germany. ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; 'mal8' ; _chemical_name_common 'mal8' _chemical_melting_point ? _chemical_formula_moiety 'C24 H21 Cl3 N P Pd, C H2 Cl2' _chemical_formula_sum 'C25 H23 Cl5 N P Pd' _chemical_formula_weight 652.06 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' 'Cl' 'Cl' 0.1484 0.1585 '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' 'Pd' 'Pd' -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_space_group_name_H-M 'P -1 ' _symmetry_cell_setting 'Triclinic' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.0120(2) _cell_length_b 10.3890(2) _cell_length_c 14.2220(4) _cell_angle_alpha 104.6190(10) _cell_angle_beta 89.9230(10) _cell_angle_gamma 112.7541(12) _cell_volume 1312.30(5) _cell_formula_units_Z 2 _cell_measurement_temperature 298(2) _cell_measurement_reflns_used 621 _exptl_crystal_description prism _exptl_crystal_colour orange _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.29 _exptl_crystal_size_min 0.24 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.650 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 652 _exptl_absorpt_coefficient_mu 1.293 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.6800 _exptl_absorpt_correction_T_max 0.7400 _exptl_absorpt_process_details 'HKL2000' _exptl_special_details ; Data was collected with \w and \f scans in 2^o^ increments with 15 second exposures per degree. Crystal-to-detector distance was 30 mm. 28175 full and partial reflection were integrated. ; _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 'Nonius KappaCCD' _diffrn_measurement_method '\f and \w scans' _diffrn_reflns_number 10268 _diffrn_reflns_av_R_equivalents 0.0350 _diffrn_reflns_av_sigmaI/netI 0.0698 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 2.21 _diffrn_reflns_theta_max 29.99 _reflns_number_total 6247 _reflns_number_gt 4057 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'KappaCCD' _computing_cell_refinement 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_data_reduction 'HKL Scalepack (Otwinowski & Minor 1997)' _computing_structure_solution 'DIRDIFF' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'maXus, Zortep' _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^)+(0.0545P)^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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef 0 _refine_ls_number_reflns 6247 _refine_ls_number_parameters 298 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0817 _refine_ls_R_factor_gt 0.0441 _refine_ls_wR_factor_ref 0.1164 _refine_ls_wR_factor_gt 0.1033 _refine_ls_goodness_of_fit_ref 1.014 _refine_ls_restrained_S_all 1.014 _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 0.03793(3) 0.02779(3) 0.21760(2) 0.03847(11) Uani 1 1 d . . . Cl1 Cl -0.09129(12) 0.10275(11) 0.12449(7) 0.0528(3) Uani 1 1 d . . . Cl2 Cl 0.16849(11) -0.04633(11) 0.30827(7) 0.0501(2) Uani 1 1 d . . . Cl3 Cl -0.32775(15) -0.28149(15) 0.06572(13) 0.0957(5) Uani 1 1 d . . . Cl4 Cl 0.58409(18) -0.15758(18) 0.85652(15) 0.1068(6) Uani 1 1 d . . . Cl5 Cl 0.62230(16) 0.14137(16) 0.93286(11) 0.0915(4) Uani 1 1 d . . . P1 P 0.06090(10) 0.22256(10) 0.33833(7) 0.0364(2) Uani 1 1 d . . . N1 N 0.0009(4) -0.1579(3) 0.0933(2) 0.0456(7) Uani 1 1 d . . . H1A H -0.0486 -0.1489 0.0443 0.055 Uiso 1 1 calc R . . H1B H 0.0885 -0.1509 0.0740 0.055 Uiso 1 1 calc R . . C1 C -0.0742(4) -0.3014(4) 0.1026(3) 0.0441(9) Uani 1 1 d . . . C2 C 0.0064(5) -0.3755(4) 0.1256(3) 0.0509(10) Uani 1 1 d . . . H2 H 0.1076 -0.3317 0.1330 0.061 Uiso 1 1 calc R . . C3 C -0.0624(5) -0.5117(5) 0.1371(3) 0.0599(11) Uani 1 1 d . . . H3 H -0.0076 -0.5607 0.1508 0.072 Uiso 1 1 calc R . . C4 C -0.2119(5) -0.5769(5) 0.1287(3) 0.0632(12) Uani 1 1 d . . . H4 H -0.2577 -0.6689 0.1379 0.076 Uiso 1 1 calc R . . C5 C -0.2931(5) -0.5065(5) 0.1067(3) 0.0627(12) Uani 1 1 d . . . H5 H -0.3943 -0.5511 0.1000 0.075 Uiso 1 1 calc R . . C6 C -0.2242(5) -0.3685(4) 0.0945(3) 0.0535(10) Uani 1 1 d . . . C7 C -0.1230(4) 0.2015(4) 0.3637(3) 0.0399(8) Uani 1 1 d . . . C8 C -0.1815(4) 0.3011(4) 0.3579(3) 0.0486(10) Uani 1 1 d . . . H8 H -0.1251 0.3866 0.3426 0.058 Uiso 1 1 calc R . . C9 C -0.3253(5) 0.2707(5) 0.3753(3) 0.0616(12) Uani 1 1 d . . . H9 H -0.3654 0.3367 0.3716 0.074 Uiso 1 1 calc R . . C10 C -0.4096(5) 0.1447(5) 0.3979(3) 0.0638(13) Uani 1 1 d . . . H10 H -0.5056 0.1266 0.4100 0.077 Uiso 1 1 calc R . . C11 C -0.3529(4) 0.0461(5) 0.4027(3) 0.0590(11) Uani 1 1 d . . . H11 H -0.4105 -0.0399 0.4170 0.071 Uiso 1 1 calc R . . C12 C -0.2092(4) 0.0746(4) 0.3861(3) 0.0504(10) Uani 1 1 d . . . H12 H -0.1702 0.0079 0.3901 0.061 Uiso 1 1 calc R . . C13 C 0.1558(4) 0.3921(4) 0.3069(3) 0.0385(8) Uani 1 1 d . . . C14 C 0.2254(4) 0.3953(4) 0.2234(3) 0.0491(10) Uani 1 1 d . . . H14 H 0.2180 0.3089 0.1798 0.059 Uiso 1 1 calc R . . C15 C 0.3060(5) 0.5256(5) 0.2038(3) 0.0598(11) Uani 1 1 d . . . H15 H 0.3536 0.5271 0.1477 0.072 Uiso 1 1 calc R . . C16 C 0.3152(5) 0.6522(5) 0.2676(4) 0.0640(13) Uani 1 1 d . . . H16 H 0.3690 0.7399 0.2542 0.077 Uiso 1 1 calc R . . C17 C 0.2476(5) 0.6519(4) 0.3497(3) 0.0581(11) Uani 1 1 d . . . H17 H 0.2535 0.7390 0.3918 0.070 Uiso 1 1 calc R . . C18 C 0.1699(4) 0.5230(4) 0.3712(3) 0.0507(10) Uani 1 1 d . . . H18 H 0.1265 0.5235 0.4291 0.061 Uiso 1 1 calc R . . C19 C 0.1611(4) 0.2597(4) 0.4559(3) 0.0373(8) Uani 1 1 d . . . C20 C 0.3100(4) 0.3037(4) 0.4610(3) 0.0479(9) Uani 1 1 d . . . H20 H 0.3559 0.3074 0.4042 0.058 Uiso 1 1 calc R . . C21 C 0.3921(4) 0.3423(5) 0.5493(3) 0.0565(11) Uani 1 1 d . . . H21 H 0.4928 0.3724 0.5518 0.068 Uiso 1 1 calc R . . C22 C 0.3261(5) 0.3362(5) 0.6323(3) 0.0592(11) Uani 1 1 d . . . H22 H 0.3817 0.3620 0.6916 0.071 Uiso 1 1 calc R . . C23 C 0.1771(5) 0.2922(5) 0.6294(3) 0.0588(11) Uani 1 1 d . . . H23 H 0.1322 0.2882 0.6865 0.071 Uiso 1 1 calc R . . C24 C 0.0946(4) 0.2539(4) 0.5408(3) 0.0493(10) Uani 1 1 d . . . H24 H -0.0060 0.2241 0.5386 0.059 Uiso 1 1 calc R . . C25 C 0.5296(6) -0.0231(5) 0.8473(4) 0.0818(15) Uani 1 1 d . . . H25A H 0.4263 -0.0546 0.8545 0.098 Uiso 1 1 calc R . . H25B H 0.5431 -0.0092 0.7825 0.098 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 0.04429(18) 0.03443(17) 0.03807(18) 0.01126(12) 0.00652(12) 0.01632(13) Cl1 0.0692(7) 0.0499(6) 0.0443(6) 0.0129(4) -0.0032(5) 0.0289(5) Cl2 0.0567(6) 0.0476(6) 0.0533(6) 0.0170(5) 0.0031(5) 0.0266(5) Cl3 0.0735(8) 0.0687(8) 0.1453(14) 0.0249(9) -0.0294(9) 0.0312(7) Cl4 0.0964(11) 0.0969(11) 0.1608(16) 0.0720(11) 0.0590(11) 0.0512(9) Cl5 0.0890(10) 0.0782(9) 0.0782(9) 0.0060(7) 0.0228(8) 0.0123(8) P1 0.0372(5) 0.0354(5) 0.0377(5) 0.0102(4) 0.0054(4) 0.0156(4) N1 0.064(2) 0.0352(17) 0.0366(17) 0.0121(14) 0.0121(15) 0.0171(16) C1 0.054(2) 0.040(2) 0.035(2) 0.0093(16) 0.0028(17) 0.0156(19) C2 0.050(2) 0.042(2) 0.057(3) 0.0104(19) 0.0036(19) 0.0157(19) C3 0.068(3) 0.052(3) 0.062(3) 0.018(2) -0.006(2) 0.025(2) C4 0.070(3) 0.043(2) 0.067(3) 0.019(2) -0.007(2) 0.010(2) C5 0.047(2) 0.048(3) 0.076(3) 0.014(2) -0.008(2) 0.005(2) C6 0.057(3) 0.046(2) 0.051(2) 0.0048(19) -0.003(2) 0.019(2) C7 0.0391(19) 0.041(2) 0.036(2) 0.0057(16) 0.0037(16) 0.0154(17) C8 0.049(2) 0.050(2) 0.048(2) 0.0099(19) 0.0002(18) 0.024(2) C9 0.053(3) 0.077(3) 0.061(3) 0.008(2) 0.002(2) 0.040(3) C10 0.037(2) 0.087(4) 0.055(3) 0.005(3) 0.002(2) 0.020(2) C11 0.044(2) 0.059(3) 0.063(3) 0.012(2) 0.007(2) 0.012(2) C12 0.045(2) 0.048(2) 0.060(3) 0.015(2) 0.0131(19) 0.020(2) C13 0.0369(19) 0.036(2) 0.044(2) 0.0114(16) -0.0003(16) 0.0152(16) C14 0.045(2) 0.044(2) 0.060(3) 0.018(2) 0.0082(19) 0.0172(19) C15 0.050(2) 0.066(3) 0.065(3) 0.030(2) 0.012(2) 0.016(2) C16 0.054(3) 0.047(3) 0.084(4) 0.031(3) -0.009(3) 0.004(2) C17 0.067(3) 0.037(2) 0.061(3) 0.007(2) -0.013(2) 0.015(2) C18 0.059(2) 0.041(2) 0.048(2) 0.0087(18) -0.0003(19) 0.018(2) C19 0.0394(19) 0.0324(19) 0.042(2) 0.0102(16) 0.0061(16) 0.0162(16) C20 0.047(2) 0.059(3) 0.041(2) 0.0121(19) 0.0044(18) 0.026(2) C21 0.036(2) 0.066(3) 0.062(3) 0.013(2) -0.001(2) 0.017(2) C22 0.062(3) 0.065(3) 0.044(2) 0.008(2) -0.010(2) 0.023(2) C23 0.057(3) 0.071(3) 0.042(2) 0.016(2) 0.005(2) 0.019(2) C24 0.045(2) 0.057(3) 0.043(2) 0.0128(19) 0.0035(18) 0.017(2) C25 0.088(4) 0.065(3) 0.080(4) 0.020(3) -0.006(3) 0.018(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 Pd1 N1 2.170(3) . ? Pd1 P1 2.2322(9) . ? Pd1 Cl2 2.2910(9) . ? Pd1 Cl1 2.3104(9) . ? Cl3 C6 1.724(4) . ? Cl4 C25 1.717(5) . ? Cl5 C25 1.729(5) . ? P1 C7 1.816(4) . ? P1 C13 1.819(4) . ? P1 C19 1.825(4) . ? N1 C1 1.427(5) . ? N1 H1A 0.9000 . ? N1 H1B 0.9000 . ? C1 C6 1.381(6) . ? C1 C2 1.399(5) . ? C2 C3 1.366(6) . ? C2 H2 0.9300 . ? C3 C4 1.374(6) . ? C3 H3 0.9300 . ? C4 C5 1.368(6) . ? C4 H4 0.9300 . ? C5 C6 1.387(6) . ? C5 H5 0.9300 . ? C7 C12 1.384(5) . ? C7 C8 1.389(5) . ? C8 C9 1.386(6) . ? C8 H8 0.9300 . ? C9 C10 1.373(7) . ? C9 H9 0.9300 . ? C10 C11 1.365(6) . ? C10 H10 0.9300 . ? C11 C12 1.385(5) . ? C11 H11 0.9300 . ? C12 H12 0.9300 . ? C13 C14 1.377(5) . ? C13 C18 1.389(5) . ? C14 C15 1.380(6) . ? C14 H14 0.9300 . ? C15 C16 1.366(6) . ? C15 H15 0.9300 . ? C16 C17 1.349(6) . ? C16 H16 0.9300 . ? C17 C18 1.376(6) . ? C17 H17 0.9300 . ? C18 H18 0.9300 . ? C19 C20 1.376(5) . ? C19 C24 1.382(5) . ? C20 C21 1.381(5) . ? C20 H20 0.9300 . ? C21 C22 1.356(6) . ? C21 H21 0.9300 . ? C22 C23 1.378(6) . ? C22 H22 0.9300 . ? C23 C24 1.386(5) . ? C23 H23 0.9300 . ? C24 H24 0.9300 . ? C25 H25A 0.9700 . ? C25 H25B 0.9700 . ? 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 N1 Pd1 P1 174.79(9) . . ? N1 Pd1 Cl2 91.52(9) . . ? P1 Pd1 Cl2 93.58(4) . . ? N1 Pd1 Cl1 88.06(9) . . ? P1 Pd1 Cl1 86.85(3) . . ? Cl2 Pd1 Cl1 179.16(4) . . ? C7 P1 C13 110.27(16) . . ? C7 P1 C19 106.03(16) . . ? C13 P1 C19 101.10(16) . . ? C7 P1 Pd1 106.06(12) . . ? C13 P1 Pd1 112.93(12) . . ? C19 P1 Pd1 120.14(11) . . ? C1 N1 Pd1 120.0(2) . . ? C1 N1 H1A 107.3 . . ? Pd1 N1 H1A 107.3 . . ? C1 N1 H1B 107.3 . . ? Pd1 N1 H1B 107.3 . . ? H1A N1 H1B 106.9 . . ? C6 C1 C2 118.0(4) . . ? C6 C1 N1 122.7(3) . . ? C2 C1 N1 119.2(4) . . ? C3 C2 C1 120.6(4) . . ? C3 C2 H2 119.7 . . ? C1 C2 H2 119.7 . . ? C2 C3 C4 120.6(4) . . ? C2 C3 H3 119.7 . . ? C4 C3 H3 119.7 . . ? C5 C4 C3 120.0(4) . . ? C5 C4 H4 120.0 . . ? C3 C4 H4 120.0 . . ? C4 C5 C6 119.8(4) . . ? C4 C5 H5 120.1 . . ? C6 C5 H5 120.1 . . ? C1 C6 C5 121.0(4) . . ? C1 C6 Cl3 119.6(3) . . ? C5 C6 Cl3 119.4(3) . . ? C12 C7 C8 119.6(3) . . ? C12 C7 P1 116.4(3) . . ? C8 C7 P1 124.0(3) . . ? C9 C8 C7 118.9(4) . . ? C9 C8 H8 120.6 . . ? C7 C8 H8 120.6 . . ? C10 C9 C8 121.1(4) . . ? C10 C9 H9 119.5 . . ? C8 C9 H9 119.5 . . ? C11 C10 C9 120.2(4) . . ? C11 C10 H10 119.9 . . ? C9 C10 H10 119.9 . . ? C10 C11 C12 119.7(4) . . ? C10 C11 H11 120.2 . . ? C12 C11 H11 120.2 . . ? C7 C12 C11 120.6(4) . . ? C7 C12 H12 119.7 . . ? C11 C12 H12 119.7 . . ? C14 C13 C18 118.4(4) . . ? C14 C13 P1 121.1(3) . . ? C18 C13 P1 120.2(3) . . ? C13 C14 C15 120.7(4) . . ? C13 C14 H14 119.7 . . ? C15 C14 H14 119.7 . . ? C16 C15 C14 119.4(4) . . ? C16 C15 H15 120.3 . . ? C14 C15 H15 120.3 . . ? C17 C16 C15 121.0(4) . . ? C17 C16 H16 119.5 . . ? C15 C16 H16 119.5 . . ? C16 C17 C18 120.0(4) . . ? C16 C17 H17 120.0 . . ? C18 C17 H17 120.0 . . ? C17 C18 C13 120.3(4) . . ? C17 C18 H18 119.8 . . ? C13 C18 H18 119.8 . . ? C20 C19 C24 118.8(3) . . ? C20 C19 P1 118.4(3) . . ? C24 C19 P1 122.6(3) . . ? C19 C20 C21 120.8(4) . . ? C19 C20 H20 119.6 . . ? C21 C20 H20 119.6 . . ? C22 C21 C20 120.0(4) . . ? C22 C21 H21 120.0 . . ? C20 C21 H21 120.0 . . ? C21 C22 C23 120.4(4) . . ? C21 C22 H22 119.8 . . ? C23 C22 H22 119.8 . . ? C22 C23 C24 119.6(4) . . ? C22 C23 H23 120.2 . . ? C24 C23 H23 120.2 . . ? C19 C24 C23 120.3(4) . . ? C19 C24 H24 119.9 . . ? C23 C24 H24 119.9 . . ? Cl4 C25 Cl5 114.0(3) . . ? Cl4 C25 H25A 108.8 . . ? Cl5 C25 H25A 108.8 . . ? Cl4 C25 H25B 108.8 . . ? Cl5 C25 H25B 108.8 . . ? H25A C25 H25B 107.7 . . ? 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 Cl2 Pd1 P1 C7 -120.11(13) . . . . ? Cl1 Pd1 P1 C7 60.61(13) . . . . ? Cl2 Pd1 P1 C13 119.01(12) . . . . ? Cl1 Pd1 P1 C13 -60.27(12) . . . . ? Cl2 Pd1 P1 C19 -0.15(14) . . . . ? Cl1 Pd1 P1 C19 -179.43(14) . . . . ? Cl2 Pd1 N1 C1 59.9(3) . . . . ? Cl1 Pd1 N1 C1 -120.8(3) . . . . ? Pd1 N1 C1 C6 82.4(4) . . . . ? Pd1 N1 C1 C2 -94.4(4) . . . . ? C6 C1 C2 C3 1.6(6) . . . . ? N1 C1 C2 C3 178.5(4) . . . . ? C1 C2 C3 C4 -1.5(7) . . . . ? C2 C3 C4 C5 1.2(7) . . . . ? C3 C4 C5 C6 -1.0(7) . . . . ? C2 C1 C6 C5 -1.4(6) . . . . ? N1 C1 C6 C5 -178.2(4) . . . . ? C2 C1 C6 Cl3 -179.7(3) . . . . ? N1 C1 C6 Cl3 3.6(6) . . . . ? C4 C5 C6 C1 1.1(7) . . . . ? C4 C5 C6 Cl3 179.4(4) . . . . ? C13 P1 C7 C12 178.3(3) . . . . ? C19 P1 C7 C12 -73.1(3) . . . . ? Pd1 P1 C7 C12 55.7(3) . . . . ? C13 P1 C7 C8 1.0(4) . . . . ? C19 P1 C7 C8 109.6(3) . . . . ? Pd1 P1 C7 C8 -121.6(3) . . . . ? C12 C7 C8 C9 0.3(6) . . . . ? P1 C7 C8 C9 177.5(3) . . . . ? C7 C8 C9 C10 0.0(6) . . . . ? C8 C9 C10 C11 -0.7(7) . . . . ? C9 C10 C11 C12 1.0(7) . . . . ? C8 C7 C12 C11 0.1(6) . . . . ? P1 C7 C12 C11 -177.4(3) . . . . ? C10 C11 C12 C7 -0.7(7) . . . . ? C7 P1 C13 C14 -128.7(3) . . . . ? C19 P1 C13 C14 119.5(3) . . . . ? Pd1 P1 C13 C14 -10.2(3) . . . . ? C7 P1 C13 C18 56.8(3) . . . . ? C19 P1 C13 C18 -55.0(3) . . . . ? Pd1 P1 C13 C18 175.3(3) . . . . ? C18 C13 C14 C15 -0.6(6) . . . . ? P1 C13 C14 C15 -175.2(3) . . . . ? C13 C14 C15 C16 -0.7(6) . . . . ? C14 C15 C16 C17 0.4(7) . . . . ? C15 C16 C17 C18 1.1(7) . . . . ? C16 C17 C18 C13 -2.5(6) . . . . ? C14 C13 C18 C17 2.2(6) . . . . ? P1 C13 C18 C17 176.9(3) . . . . ? C7 P1 C19 C20 -169.6(3) . . . . ? C13 P1 C19 C20 -54.5(3) . . . . ? Pd1 P1 C19 C20 70.4(3) . . . . ? C7 P1 C19 C24 6.4(4) . . . . ? C13 P1 C19 C24 121.5(3) . . . . ? Pd1 P1 C19 C24 -113.6(3) . . . . ? C24 C19 C20 C21 -0.4(6) . . . . ? P1 C19 C20 C21 175.8(3) . . . . ? C19 C20 C21 C22 0.4(7) . . . . ? C20 C21 C22 C23 -0.2(7) . . . . ? C21 C22 C23 C24 0.0(7) . . . . ? C20 C19 C24 C23 0.2(6) . . . . ? P1 C19 C24 C23 -175.8(3) . . . . ? C22 C23 C24 C19 0.0(7) . . . . ? _diffrn_measured_fraction_theta_max 0.817 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 0.670 _refine_diff_density_min -0.900 _refine_diff_density_rms 0.092