data_98src114 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C35.60 H32 Cl2 Fe O1.40 P2 Pd' _chemical_formula_weight 777.30 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 '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' 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pd' 'Pd' 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 '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 11.082(2) _cell_length_b 13.340(3) _cell_length_c 13.783(3) _cell_angle_alpha 88.85(3) _cell_angle_beta 76.48(3) _cell_angle_gamma 72.31(3) _cell_volume 1884.6(7) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 13383 _cell_measurement_theta_min 1 _cell_measurement_theta_max 27.48 _exptl_crystal_description plate _exptl_crystal_colour colorless _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.370 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 786 _exptl_absorpt_coefficient_mu 9.242 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_correction_T_min 0.1680 _exptl_absorpt_correction_T_max 0.2594 _exptl_absorpt_process_details ? _exptl_special_details ; (North, Phillips & Mathews, 1968) ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 1.54178 _diffrn_radiation_type CuK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'Enraf Nonius TurboCAD4' _diffrn_measurement_method 'non-profiled omega scans' _diffrn_standards_number 3 _diffrn_detector_area_resol_mean ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time 120 _diffrn_standards_decay_% 4 _diffrn_reflns_number 7401 _diffrn_reflns_av_R_equivalents 0.0218 _diffrn_reflns_av_sigmaI/netI 0.0347 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 3.30 _diffrn_reflns_theta_max 66.93 _reflns_number_total 6495 _reflns_number_gt 5464 _reflns_threshold_expression >2\s(I) _computing_data_collection 'CAD4 Express (Enraf Nonius, 1992)' _computing_cell_refinement 'CAD4 Express (Enraf Nonius, 1992)' _computing_data_reduction 'XCAD4 (Harms, 1996)' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-92 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _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^ > 2\s(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^)+(0.1156P)^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 ? _refine_ls_number_reflns 6495 _refine_ls_number_parameters 417 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0626 _refine_ls_R_factor_gt 0.0514 _refine_ls_wR_factor_ref 0.1517 _refine_ls_wR_factor_gt 0.1443 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.052 _refine_ls_shift/su_max 0.005 _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 0.95815(3) 0.99179(2) 0.63002(2) 0.04473(14) Uani 1 1 d . . . Fe1 Fe 1.12567(6) 0.68970(5) 0.68906(6) 0.0488(2) Uani 1 1 d . . . Cl1 Cl 0.99972(14) 1.07370(10) 0.75566(9) 0.0638(3) Uani 1 1 d . . . Cl2 Cl 0.91058(15) 0.92777(11) 0.49259(9) 0.0680(4) Uani 1 1 d . . . P1 P 0.84890(10) 0.90167(9) 0.73366(8) 0.0448(3) Uani 1 1 d . . . P2 P 1.38531(12) 0.48335(10) 0.74050(10) 0.0578(3) Uani 1 1 d . . . C1 C 0.9794(4) 0.7047(4) 0.6188(4) 0.0579(11) Uani 1 1 d . . . H1 H 0.9761 0.7323 0.5566 0.069 Uiso 1 1 calc R . . C2 C 1.0345(5) 0.5972(4) 0.6370(5) 0.0689(15) Uani 1 1 d . . . H2 H 1.0729 0.5424 0.5881 0.083 Uiso 1 1 calc R . . C3 C 1.0220(5) 0.5864(4) 0.7397(5) 0.0700(15) Uani 1 1 d . . . H3 H 1.0512 0.5237 0.7700 0.084 Uiso 1 1 calc R . . C4 C 0.9565(5) 0.6885(4) 0.7906(4) 0.0623(13) Uani 1 1 d . . . H4 H 0.9356 0.7037 0.8592 0.075 Uiso 1 1 calc R . . C5 C 0.9293(4) 0.7634(3) 0.7144(3) 0.0489(10) Uani 1 1 d . . . C6 C 1.2578(4) 0.7136(4) 0.7609(4) 0.0577(11) Uani 1 1 d . . . H6 H 1.2470 0.7191 0.8297 0.069 Uiso 1 1 calc R . . C7 C 1.2215(5) 0.7973(4) 0.7012(5) 0.0632(13) Uani 1 1 d . . . H7 H 1.1834 0.8677 0.7236 0.076 Uiso 1 1 calc R . . C8 C 1.2518(5) 0.7582(4) 0.6014(5) 0.0672(15) Uani 1 1 d . . . H8 H 1.2361 0.7983 0.5470 0.081 Uiso 1 1 calc R . . C9 C 1.3102(5) 0.6475(4) 0.5977(4) 0.0619(12) Uani 1 1 d . . . H9 H 1.3402 0.6025 0.5406 0.074 Uiso 1 1 calc R . . C10 C 1.3150(4) 0.6166(4) 0.6994(4) 0.0535(10) Uani 1 1 d . . . C11 C 0.8188(5) 0.9295(4) 0.8662(3) 0.0575(11) Uani 1 1 d . . . C12 C 0.6937(7) 0.9787(8) 0.9224(5) 0.111(3) Uani 1 1 d . . . H12 H 0.6239 0.9971 0.8922 0.133 Uiso 1 1 calc R . . C13 C 0.6727(9) 1.0006(11) 1.0257(6) 0.157(5) Uani 1 1 d . . . H13 H 0.5890 1.0355 1.0630 0.188 Uiso 1 1 calc R . . C14 C 0.7727(9) 0.9715(10) 1.0709(5) 0.136(4) Uani 1 1 d . . . H14 H 0.7576 0.9850 1.1393 0.163 Uiso 1 1 calc R . . C15 C 0.8949(7) 0.9225(6) 1.0166(4) 0.0854(18) Uani 1 1 d . . . H15 H 0.9634 0.9011 1.0481 0.103 Uiso 1 1 calc R . . C16 C 0.9184(5) 0.9042(5) 0.9150(4) 0.0663(13) Uani 1 1 d . . . H16 H 1.0037 0.8740 0.8783 0.080 Uiso 1 1 calc R . . C17 C 0.6907(4) 0.9248(4) 0.7061(3) 0.0482(10) Uani 1 1 d . . . C18 C 0.6319(5) 0.8472(5) 0.7131(5) 0.0700(15) Uani 1 1 d . . . H18 H 0.6724 0.7808 0.7328 0.084 Uiso 1 1 calc R . . C19 C 0.5102(6) 0.8691(6) 0.6903(6) 0.094(2) Uani 1 1 d . . . H19 H 0.4712 0.8162 0.6926 0.112 Uiso 1 1 calc R . . C20 C 0.4494(6) 0.9651(6) 0.6651(6) 0.090(2) Uani 1 1 d . . . H20 H 0.3672 0.9793 0.6525 0.108 Uiso 1 1 calc R . . C21 C 0.5071(6) 1.0422(7) 0.6579(7) 0.109(3) Uani 1 1 d . . . H21 H 0.4651 1.1085 0.6389 0.131 Uiso 1 1 calc R . . C22 C 0.6272(6) 1.0227(5) 0.6786(6) 0.0855(19) Uani 1 1 d . . . H22 H 0.6659 1.0760 0.6740 0.103 Uiso 1 1 calc R . . C23 C 1.3258(5) 0.3834(4) 0.6920(4) 0.0615(12) Uani 1 1 d . . . C24 C 1.3477(8) 0.3620(5) 0.5906(6) 0.0887(19) Uani 1 1 d . . . H24 H 1.4000 0.3928 0.5450 0.106 Uiso 1 1 calc R . . C25 C 1.2903(11) 0.2935(7) 0.5575(9) 0.133(4) Uani 1 1 d . . . H25 H 1.3015 0.2793 0.4896 0.160 Uiso 1 1 calc R . . C26 C 1.2137(9) 0.2456(6) 0.6314(11) 0.126(4) Uani 1 1 d . . . H26 H 1.1742 0.2004 0.6105 0.152 Uiso 1 1 calc R . . C27 C 1.1983(9) 0.2632(6) 0.7241(10) 0.119(3) Uani 1 1 d . . . H27 H 1.1507 0.2289 0.7698 0.143 Uiso 1 1 calc R . . C28 C 1.2512(6) 0.3323(5) 0.7579(6) 0.090(2) Uani 1 1 d . . . H28 H 1.2369 0.3453 0.8263 0.108 Uiso 1 1 calc R . . C29 C 1.5663(5) 0.4480(4) 0.6954(4) 0.0577(11) Uani 1 1 d . . . C30 C 1.6456(6) 0.3445(5) 0.6843(5) 0.0777(16) Uani 1 1 d . . . H30 H 1.6084 0.2902 0.6951 0.093 Uiso 1 1 calc R . . C31 C 1.7835(7) 0.3205(6) 0.6564(6) 0.093(2) Uani 1 1 d . . . H31 H 1.8361 0.2507 0.6476 0.112 Uiso 1 1 calc R . . C32 C 1.8382(6) 0.3988(7) 0.6427(6) 0.095(2) Uani 1 1 d . . . H32 H 1.9285 0.3827 0.6272 0.114 Uiso 1 1 calc R . . C33 C 1.7622(6) 0.5008(6) 0.6516(6) 0.103(2) Uani 1 1 d . . . H33 H 1.8009 0.5541 0.6403 0.123 Uiso 1 1 calc R . . C34 C 1.6280(5) 0.5263(5) 0.6772(5) 0.0789(17) Uani 1 1 d . . . H34 H 1.5776 0.5967 0.6824 0.095 Uiso 1 1 calc R . . O1 O 1.3428(4) 0.4836(3) 0.8615(3) 0.0798(11) Uani 1 1 d . . . O2 O 1.3028(12) 0.6407(7) 0.9983(6) 0.071(3) Uani 0.40 1 d P . . C35 C 1.100(2) 0.6098(18) 1.0502(16) 0.133(10) Uani 0.40 1 d P . . H35A H 1.0739 0.6434 0.9928 0.200 Uiso 0.40 1 calc PR . . H35B H 1.0244 0.6227 1.1052 0.200 Uiso 0.40 1 calc PR . . H35C H 1.1378 0.5353 1.0351 0.200 Uiso 0.40 1 calc PR . . C36 C 1.185(2) 0.6484(16) 1.0743(11) 0.108(8) Uani 0.40 1 d P . . H36A H 1.2107 0.6128 1.1319 0.130 Uiso 0.40 1 calc PR . . H36B H 1.1424 0.7223 1.0950 0.130 Uiso 0.40 1 calc PR . . C37 C 1.615(3) 0.3287(19) 0.9784(16) 0.147(14) Uani 0.40 1 d P . . H37A H 1.6581 0.2582 0.9478 0.176 Uiso 0.40 1 calc PR . . H37B H 1.5848 0.3731 0.9269 0.176 Uiso 0.40 1 calc PR . . C38 C 1.510(3) 0.3252(19) 1.047(2) 0.149(12) Uani 0.40 1 d P . . H38A H 1.4632 0.2887 1.0183 0.224 Uiso 0.40 1 calc PR . . H38B H 1.4555 0.3956 1.0684 0.224 Uiso 0.40 1 calc PR . . H38C H 1.5367 0.2887 1.1026 0.224 Uiso 0.40 1 calc PR . . 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 0.0500(2) 0.0478(2) 0.04148(19) 0.00315(13) -0.01360(13) -0.02053(15) Fe1 0.0373(4) 0.0488(4) 0.0619(4) 0.0061(3) -0.0135(3) -0.0144(3) Cl1 0.0922(9) 0.0627(7) 0.0505(6) 0.0014(5) -0.0268(6) -0.0368(6) Cl2 0.0952(9) 0.0887(9) 0.0453(6) 0.0091(6) -0.0207(6) -0.0622(8) P1 0.0396(5) 0.0507(6) 0.0442(6) 0.0040(4) -0.0095(4) -0.0146(4) P2 0.0530(7) 0.0568(7) 0.0621(7) 0.0008(6) -0.0144(6) -0.0142(6) C1 0.049(2) 0.062(3) 0.065(3) -0.003(2) -0.018(2) -0.016(2) C2 0.051(3) 0.056(3) 0.103(4) -0.006(3) -0.022(3) -0.018(2) C3 0.049(3) 0.053(3) 0.108(5) 0.022(3) -0.018(3) -0.017(2) C4 0.050(3) 0.065(3) 0.075(3) 0.018(3) -0.012(2) -0.023(2) C5 0.040(2) 0.050(2) 0.058(2) 0.0106(19) -0.0134(18) -0.0155(18) C6 0.046(2) 0.060(3) 0.071(3) -0.003(2) -0.020(2) -0.016(2) C7 0.046(2) 0.053(3) 0.094(4) 0.005(3) -0.019(3) -0.018(2) C8 0.044(2) 0.071(3) 0.092(4) 0.029(3) -0.017(3) -0.027(2) C9 0.047(2) 0.067(3) 0.069(3) 0.005(2) -0.009(2) -0.017(2) C10 0.037(2) 0.056(3) 0.066(3) 0.001(2) -0.0135(19) -0.0106(19) C11 0.054(3) 0.073(3) 0.045(2) 0.005(2) -0.008(2) -0.022(2) C12 0.063(4) 0.187(9) 0.069(4) -0.037(5) 0.001(3) -0.027(5) C13 0.085(5) 0.297(15) 0.075(5) -0.063(7) 0.017(4) -0.061(7) C14 0.116(7) 0.247(12) 0.051(4) -0.024(5) 0.003(4) -0.079(8) C15 0.094(5) 0.118(5) 0.058(3) 0.009(3) -0.024(3) -0.050(4) C16 0.065(3) 0.089(4) 0.048(3) 0.012(2) -0.012(2) -0.029(3) C17 0.035(2) 0.056(2) 0.051(2) 0.0012(19) -0.0071(17) -0.0123(18) C18 0.046(3) 0.070(3) 0.097(4) 0.011(3) -0.021(3) -0.021(2) C19 0.050(3) 0.103(5) 0.135(6) -0.006(4) -0.025(4) -0.031(3) C20 0.040(3) 0.123(6) 0.102(5) 0.002(4) -0.026(3) -0.010(3) C21 0.053(3) 0.108(5) 0.162(8) 0.050(5) -0.043(4) -0.009(4) C22 0.059(3) 0.064(3) 0.132(6) 0.024(4) -0.032(4) -0.013(3) C23 0.049(3) 0.056(3) 0.079(3) 0.002(2) -0.019(2) -0.013(2) C24 0.105(5) 0.077(4) 0.094(5) -0.008(3) -0.044(4) -0.026(4) C25 0.170(9) 0.081(5) 0.159(9) -0.021(6) -0.106(8) 0.000(6) C26 0.100(6) 0.054(4) 0.253(14) -0.001(6) -0.096(8) -0.024(4) C27 0.091(5) 0.079(5) 0.195(11) -0.016(6) -0.028(6) -0.041(4) C28 0.074(4) 0.065(4) 0.131(6) 0.003(4) -0.010(4) -0.031(3) C29 0.052(3) 0.057(3) 0.062(3) 0.001(2) -0.021(2) -0.009(2) C30 0.066(3) 0.067(3) 0.091(4) -0.001(3) -0.020(3) -0.006(3) C31 0.069(4) 0.083(4) 0.100(5) -0.003(4) -0.020(4) 0.018(4) C32 0.047(3) 0.123(6) 0.098(5) 0.006(4) -0.015(3) -0.004(4) C33 0.057(4) 0.112(6) 0.144(7) 0.012(5) -0.027(4) -0.032(4) C34 0.051(3) 0.074(4) 0.111(5) -0.001(3) -0.018(3) -0.019(3) O1 0.082(3) 0.087(3) 0.061(2) 0.008(2) -0.012(2) -0.018(2) O2 0.122(8) 0.054(5) 0.037(4) -0.015(4) -0.040(5) -0.013(5) C35 0.120(18) 0.122(17) 0.081(13) 0.011(12) 0.074(13) 0.001(14) C36 0.15(2) 0.089(12) 0.035(7) -0.029(7) 0.000(10) 0.018(13) C37 0.24(4) 0.093(15) 0.070(12) 0.018(11) -0.060(18) 0.021(19) C38 0.21(3) 0.119(18) 0.20(3) 0.029(19) -0.16(3) -0.08(2) _geom_special_details ; All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s 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 P1 2.2267(13) . ? Pd1 Cl1 2.2716(13) . ? Pd1 Cl2 2.3239(13) . ? Pd1 Cl2 2.4187(14) 2_776 ? Fe1 C1 2.034(5) . ? Fe1 C5 2.046(4) . ? Fe1 C2 2.048(5) . ? Fe1 C8 2.048(5) . ? Fe1 C6 2.049(5) . ? Fe1 C9 2.052(5) . ? Fe1 C7 2.058(5) . ? Fe1 C3 2.062(5) . ? Fe1 C4 2.065(5) . ? Fe1 C10 2.065(4) . ? Cl2 Pd1 2.4187(14) 2_776 ? P1 C5 1.782(5) . ? P1 C11 1.804(5) . ? P1 C17 1.814(4) . ? P2 O1 1.623(4) . ? P2 C10 1.847(5) . ? P2 C23 1.854(5) . ? P2 C29 1.867(5) . ? C1 C2 1.420(7) . ? C1 C5 1.447(7) . ? C2 C3 1.398(9) . ? C3 C4 1.440(8) . ? C4 C5 1.455(7) . ? C6 C7 1.389(7) . ? C6 C10 1.445(7) . ? C7 C8 1.409(8) . ? C8 C9 1.417(7) . ? C9 C10 1.462(7) . ? C11 C16 1.377(7) . ? C11 C12 1.385(8) . ? C12 C13 1.409(10) . ? C13 C14 1.348(13) . ? C14 C15 1.352(11) . ? C15 C16 1.376(7) . ? C17 C18 1.372(7) . ? C17 C22 1.375(7) . ? C18 C19 1.399(8) . ? C19 C20 1.334(10) . ? C20 C21 1.357(11) . ? C21 C22 1.373(9) . ? C23 C24 1.381(9) . ? C23 C28 1.393(9) . ? C24 C25 1.397(11) . ? C25 C26 1.437(14) . ? C26 C27 1.266(15) . ? C27 C28 1.372(10) . ? C29 C30 1.382(7) . ? C29 C34 1.401(8) . ? C30 C31 1.421(9) . ? C31 C32 1.347(10) . ? C32 C33 1.356(10) . ? C33 C34 1.380(8) . ? O2 C37 1.21(4) 2_867 ? O2 C36 1.44(2) . ? C35 C36 1.32(3) . ? C37 O2 1.21(4) 2_867 ? C37 C38 1.32(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 P1 Pd1 Cl1 93.57(5) . . ? P1 Pd1 Cl2 91.69(5) . . ? Cl1 Pd1 Cl2 172.99(5) . . ? P1 Pd1 Cl2 173.94(5) . 2_776 ? Cl1 Pd1 Cl2 90.45(5) . 2_776 ? Cl2 Pd1 Cl2 84.69(5) . 2_776 ? C1 Fe1 C5 41.54(19) . . ? C1 Fe1 C2 40.7(2) . . ? C5 Fe1 C2 68.9(2) . . ? C1 Fe1 C8 106.2(2) . . ? C5 Fe1 C8 119.15(19) . . ? C2 Fe1 C8 125.1(3) . . ? C1 Fe1 C6 166.1(2) . . ? C5 Fe1 C6 129.5(2) . . ? C2 Fe1 C6 153.0(2) . . ? C8 Fe1 C6 67.5(2) . . ? C1 Fe1 C9 115.4(2) . . ? C5 Fe1 C9 151.3(2) . . ? C2 Fe1 C9 104.7(2) . . ? C8 Fe1 C9 40.5(2) . . ? C6 Fe1 C9 68.5(2) . . ? C1 Fe1 C7 127.9(2) . . ? C5 Fe1 C7 110.29(19) . . ? C2 Fe1 C7 163.8(3) . . ? C8 Fe1 C7 40.1(2) . . ? C6 Fe1 C7 39.5(2) . . ? C9 Fe1 C7 67.8(2) . . ? C1 Fe1 C3 68.4(2) . . ? C5 Fe1 C3 68.98(19) . . ? C2 Fe1 C3 39.8(2) . . ? C8 Fe1 C3 161.9(3) . . ? C6 Fe1 C3 121.5(2) . . ? C9 Fe1 C3 124.8(2) . . ? C7 Fe1 C3 156.2(3) . . ? C1 Fe1 C4 69.4(2) . . ? C5 Fe1 C4 41.45(19) . . ? C2 Fe1 C4 68.2(2) . . ? C8 Fe1 C4 155.3(2) . . ? C6 Fe1 C4 110.8(2) . . ? C9 Fe1 C4 163.9(2) . . ? C7 Fe1 C4 122.6(2) . . ? C3 Fe1 C4 40.8(2) . . ? C1 Fe1 C10 150.0(2) . . ? C5 Fe1 C10 166.64(19) . . ? C2 Fe1 C10 116.4(2) . . ? C8 Fe1 C10 69.0(2) . . ? C6 Fe1 C10 41.13(19) . . ? C9 Fe1 C10 41.6(2) . . ? C7 Fe1 C10 68.3(2) . . ? C3 Fe1 C10 106.6(2) . . ? C4 Fe1 C10 127.2(2) . . ? Pd1 Cl2 Pd1 95.31(5) . 2_776 ? C5 P1 C11 105.3(2) . . ? C5 P1 C17 106.5(2) . . ? C11 P1 C17 106.6(2) . . ? C5 P1 Pd1 111.26(15) . . ? C11 P1 Pd1 118.09(18) . . ? C17 P1 Pd1 108.41(15) . . ? O1 P2 C10 109.7(2) . . ? O1 P2 C23 106.3(3) . . ? C10 P2 C23 112.6(2) . . ? O1 P2 C29 110.9(2) . . ? C10 P2 C29 107.2(2) . . ? C23 P2 C29 110.2(2) . . ? C2 C1 C5 107.7(5) . . ? C2 C1 Fe1 70.2(3) . . ? C5 C1 Fe1 69.7(3) . . ? C3 C2 C1 109.5(5) . . ? C3 C2 Fe1 70.7(3) . . ? C1 C2 Fe1 69.1(3) . . ? C2 C3 C4 108.7(5) . . ? C2 C3 Fe1 69.6(3) . . ? C4 C3 Fe1 69.7(3) . . ? C3 C4 C5 106.9(5) . . ? C3 C4 Fe1 69.5(3) . . ? C5 C4 Fe1 68.6(3) . . ? C1 C5 C4 107.2(4) . . ? C1 C5 P1 125.9(4) . . ? C4 C5 P1 127.0(4) . . ? C1 C5 Fe1 68.8(3) . . ? C4 C5 Fe1 70.0(3) . . ? P1 C5 Fe1 126.5(2) . . ? C7 C6 C10 109.5(5) . . ? C7 C6 Fe1 70.6(3) . . ? C10 C6 Fe1 70.0(3) . . ? C6 C7 C8 109.0(5) . . ? C6 C7 Fe1 69.9(3) . . ? C8 C7 Fe1 69.5(3) . . ? C7 C8 C9 108.4(5) . . ? C7 C8 Fe1 70.3(3) . . ? C9 C8 Fe1 69.9(3) . . ? C8 C9 C10 108.0(5) . . ? C8 C9 Fe1 69.6(3) . . ? C10 C9 Fe1 69.7(3) . . ? C6 C10 C9 105.2(4) . . ? C6 C10 P2 127.1(4) . . ? C9 C10 P2 127.7(4) . . ? C6 C10 Fe1 68.9(2) . . ? C9 C10 Fe1 68.7(3) . . ? P2 C10 Fe1 128.5(3) . . ? C16 C11 C12 117.6(5) . . ? C16 C11 P1 121.7(4) . . ? C12 C11 P1 120.7(5) . . ? C11 C12 C13 119.7(7) . . ? C14 C13 C12 120.6(8) . . ? C13 C14 C15 119.9(7) . . ? C14 C15 C16 120.4(7) . . ? C11 C16 C15 121.6(5) . . ? C18 C17 C22 119.0(5) . . ? C18 C17 P1 121.6(4) . . ? C22 C17 P1 119.4(4) . . ? C17 C18 C19 119.2(6) . . ? C20 C19 C18 120.8(6) . . ? C19 C20 C21 120.3(6) . . ? C20 C21 C22 120.2(6) . . ? C17 C22 C21 120.4(6) . . ? C24 C23 C28 118.5(6) . . ? C24 C23 P2 121.4(5) . . ? C28 C23 P2 120.0(5) . . ? C23 C24 C25 119.2(9) . . ? C24 C25 C26 118.1(9) . . ? C27 C26 C25 121.9(8) . . ? C26 C27 C28 120.8(10) . . ? C27 C28 C23 121.5(9) . . ? C30 C29 C34 117.1(5) . . ? C30 C29 P2 121.8(4) . . ? C34 C29 P2 121.0(4) . . ? C29 C30 C31 120.4(6) . . ? C32 C31 C30 120.2(6) . . ? C31 C32 C33 120.3(6) . . ? C32 C33 C34 120.7(7) . . ? C33 C34 C29 121.2(6) . . ? C37 O2 C36 117.4(16) 2_867 . ? C35 C36 O2 117.1(13) . . ? O2 C37 C38 120(2) 2_867 . ? _diffrn_measured_fraction_theta_max 0.966 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.986 _refine_diff_density_max 0.883 _refine_diff_density_min -1.343 _refine_diff_density_rms 0.128