# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1638 data_ComplexPd _audit_creation_method SHELXL #_chemical_absolute_configuration unk??? _chemical_name_systematic 'Bis(diphenylphosphino)methane-terpyridyl Pd(II) complex' _chemical_name_common 'Bis(diphenylphosphino)methane-terpyridyl Pd complex' _chemical_formula_moiety 'Pd(C40 N3 P2 H30)' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'Pd C80 N6 P4 H60 ' _chemical_formula_weight 1335.62 _chemical_melting_point ? _chemical_compound_source 'chemical synthesis' 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' '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' 'H' 'H' 0.0000 0.0000 '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_cell_setting monoclinic _symmetry_space_group_name_H-M 'P21/n' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.477(4) _cell_length_b 25.327(9) _cell_length_c 11.595(5) _cell_angle_alpha 90.00 _cell_angle_beta 98.54(4) _cell_angle_gamma 90.00 _cell_volume 3333.1(22) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description 'prismatic' _exptl_crystal_colour 'yellow' _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.075 _exptl_crystal_size_min 0.050 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_diffrn 1.331 _exptl_crystal_density_method ? _exptl_crystal_F_000 1376 _exptl_absorpt_coefficient_mu 0.425 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _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 'Nonius kappaCCD diffractometer' _diffrn_measurement_method 'area-detector scans' _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 27387 _diffrn_reflns_av_R_equivalents 0.0690 _diffrn_reflns_av_sigmaI/netI 0.1129 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -32 _diffrn_reflns_limit_k_max 32 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 1.95 _diffrn_reflns_theta_max 26.76 _reflns_number_total 6772 _reflns_number_gt 4185 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Nonius Kappa-CCD Software' _computing_cell_refinement 'HKL package (Otwinovski & Minor, 1997)' _computing_data_reduction 'HKL package' _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics 'OrtepII' _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 4 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^)+(0.0297P)^2^+4.2395P] 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 6768 _refine_ls_number_parameters 412 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1328 _refine_ls_R_factor_gt 0.0705 _refine_ls_wR_factor_all 0.1423 _refine_ls_wR_factor_ref 0.1194 _refine_ls_goodness_of_fit_all 1.068 _refine_ls_goodness_of_fit_ref 1.161 _refine_ls_restrained_S_all 1.070 _refine_ls_restrained_S_obs 1.161 _refine_ls_shift/su_max 0.000 _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 Pd Pd 0.0000 0.0000 0.0000 0.0363(2) Uani 1 d S . C1A C 0.1982(4) 0.0778(2) -0.0097(3) 0.0380(11) Uani 1 d . . C2A C 0.2896(4) 0.1154(2) -0.0168(4) 0.0389(11) Uani 1 d . . C3A C 0.3478(4) 0.1182(2) -0.1146(4) 0.0454(12) Uani 1 d . . H3A H 0.3265(4) 0.0950(2) -0.1763(4) 0.054 Uiso 1 calc R . C4A C 0.4357(4) 0.1546(2) -0.1215(4) 0.0495(13) Uani 1 d . . N5A N 0.4757(4) 0.1882(2) -0.0337(4) 0.0518(11) Uani 1 d . . C6A C 0.4218(4) 0.1854(2) 0.0613(4) 0.0476(13) Uani 1 d . . C7A C 0.3305(4) 0.1512(2) 0.0721(4) 0.0460(12) Uani 1 d . . H7A H 0.2954(4) 0.1519(2) 0.1394(4) 0.055 Uiso 1 calc R . C8A C 0.4903(5) 0.1591(2) -0.2303(5) 0.0557(14) Uani 1 d . . N9A N 0.4307(5) 0.1367(2) -0.3247(4) 0.078(2) Uani 1 d . . C10A C 0.4753(7) 0.1426(3) -0.4249(6) 0.095(2) Uani 1 d . . H10A H 0.4361(7) 0.1262(3) -0.4913(6) 0.114 Uiso 1 calc R . C11A C 0.5734(7) 0.1709(3) -0.4354(7) 0.094(2) Uani 1 d . . H11A H 0.5983(7) 0.1747(3) -0.5077(7) 0.113 Uiso 1 calc R . C12A C 0.6347(7) 0.1934(3) -0.3392(8) 0.091(2) Uani 1 d . . H12A H 0.7025(7) 0.2128(3) -0.3437(8) 0.109 Uiso 1 calc R . C13A C 0.5932(5) 0.1865(2) -0.2331(6) 0.073(2) Uani 1 d . . H13A H 0.6348(5) 0.2003(2) -0.1648(6) 0.088 Uiso 1 calc R . C14A C 0.4684(5) 0.2218(2) 0.1602(5) 0.0550(14) Uani 1 d . . N15A N 0.4053(5) 0.2255(2) 0.2467(4) 0.0771(15) Uani 1 d . . C16A C 0.4489(7) 0.2573(3) 0.3368(6) 0.090(2) Uani 1 d . . H16A H 0.4055(7) 0.2602(3) 0.3982(6) 0.108 Uiso 1 calc R . C17A C 0.5504(7) 0.2852(3) 0.3450(7) 0.090(2) Uani 1 d . . H17A H 0.5757(7) 0.3063(3) 0.4094(7) 0.108 Uiso 1 calc R . C18A C 0.6141(7) 0.2810(3) 0.2551(7) 0.088(2) Uani 1 d . . H18A H 0.6846(7) 0.2994(3) 0.2573(7) 0.106 Uiso 1 calc R . C19A C 0.5729(5) 0.2491(2) 0.1600(6) 0.071(2) Uani 1 d . . H19A H 0.6148(5) 0.2462(2) 0.0975(6) 0.085 Uiso 1 calc R . P1 P 0.11699(11) 0.06368(5) 0.10359(10) 0.0389(3) Uani 1 d . . C11 C 0.2122(4) 0.0410(2) 0.2345(4) 0.0452(12) Uani 1 d . . C12 C 0.3244(5) 0.0241(2) 0.2273(4) 0.063(2) Uani 1 d . . H12 H 0.3550(5) 0.0288(2) 0.1580(4) 0.076 Uiso 1 calc R . C13 C 0.3934(5) 0.0000(3) 0.3213(5) 0.081(2) Uani 1 d . . H13 H 0.4693(5) -0.0114(3) 0.3150(5) 0.097 Uiso 1 calc R . C14 C 0.3484(6) -0.0069(3) 0.4238(5) 0.073(2) Uani 1 d . . H14 H 0.3934(6) -0.0232(3) 0.4872(5) 0.088 Uiso 1 calc R . C15 C 0.2367(6) 0.0103(2) 0.4318(4) 0.068(2) Uani 1 d . . H15 H 0.2067(6) 0.0063(2) 0.5015(4) 0.082 Uiso 1 calc R . C16 C 0.1689(5) 0.0334(2) 0.3381(4) 0.0532(14) Uani 1 d . . H16 H 0.0926(5) 0.0442(2) 0.3444(4) 0.064 Uiso 1 calc R . C11' C 0.0350(4) 0.1190(2) 0.1519(4) 0.0450(12) Uani 1 d . . C12' C 0.0752(5) 0.1506(2) 0.2474(4) 0.0590(15) Uani 1 d . . H12' H 0.1498(5) 0.1451(2) 0.2892(4) 0.071 Uiso 1 calc R . C13' C 0.0032(7) 0.1908(2) 0.2810(5) 0.074(2) Uani 1 d . . H13' H 0.0294(7) 0.2110(2) 0.3468(5) 0.089 Uiso 1 calc R . C14' C -0.1045(7) 0.2006(3) 0.2183(6) 0.084(2) Uani 1 d . . H14' H -0.1510(7) 0.2278(3) 0.2402(6) 0.101 Uiso 1 calc R . C15' C -0.1447(6) 0.1699(3) 0.1217(6) 0.078(2) Uani 1 d . . H15' H -0.2182(6) 0.1766(3) 0.0786(6) 0.094 Uiso 1 calc R . C16' C -0.0756(5) 0.1291(2) 0.0890(5) 0.0605(15) Uani 1 d . . H16' H -0.1034(5) 0.1085(2) 0.0245(5) 0.073 Uiso 1 calc R . P2 P 0.12738(10) 0.03468(5) -0.11753(9) 0.0375(3) Uani 1 d . . C21 C 0.0598(4) 0.0691(2) -0.2481(3) 0.0409(11) Uani 1 d . . C22 C -0.0568(5) 0.0843(2) -0.2553(4) 0.0557(14) Uani 1 d . . H22 H -0.0989(5) 0.0751(2) -0.1957(4) 0.067 Uiso 1 calc R . C23 C -0.1121(6) 0.1130(3) -0.3493(6) 0.079(2) Uani 1 d . . H23 H -0.1908(6) 0.1226(3) -0.3528(6) 0.095 Uiso 1 calc R . C24 C -0.0505(7) 0.1273(3) -0.4374(5) 0.080(2) Uani 1 d . . H24 H -0.0874(7) 0.1468(3) -0.5004(5) 0.096 Uiso 1 calc R . C25 C 0.0639(6) 0.1130(2) -0.4324(5) 0.074(2) Uani 1 d . . H25 H 0.1056(6) 0.1228(2) -0.4919(5) 0.089 Uiso 1 calc R . C26 C 0.1193(5) 0.0836(2) -0.3383(4) 0.0574(14) Uani 1 d . . H26 H 0.1975(5) 0.0737(2) -0.3362(4) 0.069 Uiso 1 calc R . C21' C 0.2288(4) -0.0125(2) -0.1680(4) 0.0403(12) Uani 1 d . . C22' C 0.2005(5) -0.0398(2) -0.2724(4) 0.0506(13) Uani 1 d . . H22' H 0.1312(5) -0.0319(2) -0.3217(4) 0.061 Uiso 1 calc R . C23' C 0.2743(5) -0.0782(2) -0.3035(4) 0.0595(15) Uani 1 d . . H23' H 0.2554(5) -0.0955(2) -0.3745(4) 0.071 Uiso 1 calc R . C24' C 0.3757(5) -0.0914(2) -0.2307(5) 0.064(2) Uani 1 d . . H24' H 0.4251(5) -0.1177(2) -0.2517(5) 0.077 Uiso 1 calc R . C25' C 0.4034(5) -0.0653(2) -0.1263(5) 0.066(2) Uani 1 d . . H25' H 0.4717(5) -0.0741(2) -0.0764(5) 0.079 Uiso 1 calc R . C26' C 0.3313(4) -0.0263(2) -0.0948(4) 0.0534(14) Uani 1 d . . H26' H 0.3512(4) -0.0089(2) -0.0239(4) 0.064 Uiso 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 Pd 0.0348(3) 0.0439(3) 0.0297(3) -0.0020(3) 0.0031(2) -0.0023(3) C1A 0.043(3) 0.045(3) 0.025(2) -0.001(2) 0.005(2) -0.006(2) C2A 0.039(3) 0.044(3) 0.033(2) 0.004(2) 0.003(2) 0.001(2) C3A 0.045(3) 0.051(3) 0.039(3) 0.002(2) 0.002(2) -0.002(2) C4A 0.042(3) 0.050(3) 0.057(3) 0.007(3) 0.009(2) -0.001(3) N5A 0.046(3) 0.047(3) 0.062(3) 0.004(2) 0.007(2) -0.007(2) C6A 0.046(3) 0.041(3) 0.054(3) 0.004(2) -0.001(2) 0.001(2) C7A 0.043(3) 0.053(3) 0.042(3) 0.000(2) 0.005(2) 0.000(3) C8A 0.052(3) 0.051(3) 0.068(4) 0.015(3) 0.021(3) 0.006(3) N9A 0.085(4) 0.104(4) 0.050(3) 0.013(3) 0.024(3) -0.014(3) C10A 0.111(6) 0.115(6) 0.063(4) 0.010(4) 0.026(4) -0.006(5) C11A 0.100(6) 0.095(6) 0.101(6) 0.034(5) 0.063(5) 0.020(5) C12A 0.087(5) 0.075(5) 0.126(6) 0.022(5) 0.064(5) 0.004(4) C13A 0.062(4) 0.063(4) 0.101(5) 0.004(4) 0.033(4) -0.004(3) C14A 0.054(4) 0.039(3) 0.066(4) -0.004(3) -0.012(3) 0.001(3) N15A 0.083(4) 0.080(4) 0.067(3) -0.022(3) 0.005(3) -0.016(3) C16A 0.115(6) 0.080(5) 0.072(4) -0.021(4) 0.004(4) 0.000(5) C17A 0.096(6) 0.058(4) 0.101(6) -0.024(4) -0.036(5) -0.001(4) C18A 0.074(5) 0.052(4) 0.129(6) -0.014(4) -0.018(5) -0.006(4) C19A 0.059(4) 0.048(4) 0.101(5) -0.008(3) -0.003(3) -0.006(3) P1 0.0400(7) 0.0462(8) 0.0302(6) -0.0017(5) 0.0043(5) -0.0028(6) C11 0.051(3) 0.053(3) 0.029(2) 0.001(2) -0.002(2) -0.010(3) C12 0.051(4) 0.096(5) 0.040(3) 0.006(3) 0.001(2) 0.011(3) C13 0.058(4) 0.122(6) 0.060(4) 0.011(4) -0.001(3) 0.019(4) C14 0.079(5) 0.085(5) 0.048(3) 0.016(3) -0.012(3) 0.000(4) C15 0.087(5) 0.081(5) 0.037(3) 0.004(3) 0.008(3) -0.004(4) C16 0.058(3) 0.065(4) 0.035(3) 0.004(3) 0.002(2) -0.004(3) C11' 0.048(3) 0.049(3) 0.040(3) 0.004(2) 0.014(2) -0.001(2) C12' 0.077(4) 0.053(4) 0.046(3) -0.005(3) 0.008(3) -0.005(3) C13' 0.112(6) 0.047(4) 0.067(4) -0.013(3) 0.029(4) -0.009(4) C14' 0.099(6) 0.063(5) 0.097(5) -0.007(4) 0.041(4) 0.016(4) C15' 0.078(5) 0.066(4) 0.092(5) 0.007(4) 0.019(4) 0.017(4) C16' 0.070(4) 0.054(4) 0.058(3) -0.002(3) 0.010(3) 0.007(3) P2 0.0367(7) 0.0463(8) 0.0287(6) -0.0008(5) 0.0025(5) 0.0002(6) C21 0.045(3) 0.049(3) 0.026(2) -0.001(2) -0.003(2) 0.002(2) C22 0.054(4) 0.056(4) 0.054(3) -0.003(3) -0.002(3) 0.001(3) C23 0.063(4) 0.069(4) 0.095(5) 0.004(4) -0.026(4) 0.018(3) C24 0.098(6) 0.070(5) 0.060(4) 0.008(3) -0.030(4) 0.005(4) C25 0.104(6) 0.070(4) 0.044(3) 0.009(3) -0.002(3) 0.002(4) C26 0.069(4) 0.059(4) 0.042(3) 0.003(3) 0.002(3) 0.006(3) C21' 0.038(3) 0.047(3) 0.036(2) 0.003(2) 0.007(2) 0.003(2) C22' 0.051(3) 0.058(3) 0.042(3) 0.000(3) 0.001(2) 0.004(3) C23' 0.069(4) 0.060(4) 0.048(3) -0.008(3) 0.007(3) 0.009(3) C24' 0.063(4) 0.063(4) 0.069(4) -0.001(3) 0.016(3) 0.020(3) C25' 0.056(4) 0.078(4) 0.061(4) -0.002(3) -0.001(3) 0.021(3) C26' 0.051(3) 0.060(4) 0.049(3) -0.006(3) 0.006(2) 0.009(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 Pd P2 2.3146(15) 3 ? Pd P2 2.3146(15) . ? Pd P1 2.3168(14) 3 ? Pd P1 2.3169(14) . ? C1A C2A 1.429(6) . ? C1A P1 1.756(4) . ? C1A P2 1.764(4) . ? C2A C7A 1.400(6) . ? C2A C3A 1.401(6) . ? C3A C4A 1.377(7) . ? C4A N5A 1.354(6) . ? C4A C8A 1.494(7) . ? N5A C6A 1.343(6) . ? C6A C7A 1.380(7) . ? C6A C14A 1.505(7) . ? C8A N9A 1.330(7) . ? C8A C13A 1.373(7) . ? N9A C10A 1.345(7) . ? C10A C11A 1.355(10) . ? C11A C12A 1.353(10) . ? C12A C13A 1.394(8) . ? C14A N15A 1.325(7) . ? C14A C19A 1.386(8) . ? N15A C16A 1.356(8) . ? C16A C17A 1.353(9) . ? C17A C18A 1.363(10) . ? C18A C19A 1.392(8) . ? P1 C11' 1.822(5) . ? P1 C11 1.826(5) . ? P1 P2 2.687(2) . ? C11 C12 1.372(7) . ? C11 C16 1.380(6) . ? C12 C13 1.390(7) . ? C13 C14 1.376(8) . ? C14 C15 1.370(8) . ? C15 C16 1.371(7) . ? C11' C12' 1.389(7) . ? C11' C16' 1.391(7) . ? C12' C13' 1.402(8) . ? C13' C14' 1.360(9) . ? C14' C15' 1.386(9) . ? C15' C16' 1.388(8) . ? P2 C21 1.818(4) . ? P2 C21' 1.823(5) . ? C21 C26 1.381(7) . ? C21 C22 1.384(7) . ? C22 C23 1.383(7) . ? C23 C24 1.374(9) . ? C24 C25 1.356(9) . ? C25 C26 1.393(7) . ? C21' C26' 1.389(6) . ? C21' C22' 1.391(6) . ? C22' C23' 1.373(7) . ? C23' C24' 1.374(7) . ? C24' C25' 1.375(7) . ? C25' C26' 1.372(7) . ? 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 P2 Pd P2 180.0 3 . ? P2 Pd P1 70.91(5) 3 3 ? P2 Pd P1 109.09(5) . 3 ? P2 Pd P1 109.09(5) 3 . ? P2 Pd P1 70.91(5) . . ? P1 Pd P1 180.0 3 . ? C2A C1A P1 130.9(3) . . ? C2A C1A P2 129.5(3) . . ? P1 C1A P2 99.5(2) . . ? C7A C2A C3A 114.5(4) . . ? C7A C2A C1A 123.9(4) . . ? C3A C2A C1A 121.6(4) . . ? C4A C3A C2A 121.5(5) . . ? N5A C4A C3A 123.1(5) . . ? N5A C4A C8A 116.7(5) . . ? C3A C4A C8A 120.2(5) . . ? C6A N5A C4A 116.0(4) . . ? N5A C6A C7A 123.8(5) . . ? N5A C6A C14A 116.0(5) . . ? C7A C6A C14A 120.3(5) . . ? C6A C7A C2A 121.1(5) . . ? N9A C8A C13A 122.4(5) . . ? N9A C8A C4A 115.7(5) . . ? C13A C8A C4A 121.9(6) . . ? C8A N9A C10A 116.6(6) . . ? N9A C10A C11A 124.4(7) . . ? C10A C11A C12A 119.0(7) . . ? C11A C12A C13A 118.1(7) . . ? C8A C13A C12A 119.4(7) . . ? N15A C14A C19A 122.4(5) . . ? N15A C14A C6A 116.6(5) . . ? C19A C14A C6A 121.0(6) . . ? C14A N15A C16A 116.4(6) . . ? C17A C16A N15A 125.4(7) . . ? C16A C17A C18A 117.4(7) . . ? C17A C18A C19A 119.5(7) . . ? C14A C19A C18A 118.8(7) . . ? C1A P1 C11' 115.4(2) . . ? C1A P1 C11 111.5(2) . . ? C11' P1 C11 105.0(2) . . ? C1A P1 Pd 94.9(2) . . ? C11' P1 Pd 114.1(2) . . ? C11 P1 Pd 116.2(2) . . ? C1A P1 P2 40.37(15) . . ? C11' P1 P2 127.0(2) . . ? C11 P1 P2 127.0(2) . . ? Pd P1 P2 54.50(4) . . ? C12 C11 C16 118.2(4) . . ? C12 C11 P1 119.9(4) . . ? C16 C11 P1 121.2(4) . . ? C11 C12 C13 121.3(5) . . ? C14 C13 C12 119.3(6) . . ? C13 C14 C15 119.6(5) . . ? C14 C15 C16 120.6(5) . . ? C15 C16 C11 120.9(5) . . ? C12' C11' C16' 118.8(5) . . ? C12' C11' P1 124.3(4) . . ? C16' C11' P1 117.0(4) . . ? C11' C12' C13' 120.0(5) . . ? C14' C13' C12' 120.7(6) . . ? C13' C14' C15' 119.8(6) . . ? C14' C15' C16' 120.2(6) . . ? C15' C16' C11' 120.5(5) . . ? C1A P2 C21 112.9(2) . . ? C1A P2 C21' 112.5(2) . . ? C21 P2 C21' 105.1(2) . . ? C1A P2 Pd 94.72(15) . . ? C21 P2 Pd 116.3(2) . . ? C21' P2 Pd 115.4(2) . . ? C1A P2 P1 40.15(15) . . ? C21 P2 P1 126.2(2) . . ? C21' P2 P1 127.30(15) . . ? Pd P2 P1 54.58(4) . . ? C26 C21 C22 117.6(4) . . ? C26 C21 P2 124.1(4) . . ? C22 C21 P2 118.2(4) . . ? C21 C22 C23 121.3(6) . . ? C24 C23 C22 119.9(6) . . ? C25 C24 C23 120.0(6) . . ? C24 C25 C26 120.2(6) . . ? C21 C26 C25 121.1(6) . . ? C26' C21' C22' 118.3(4) . . ? C26' C21' P2 119.5(4) . . ? C22' C21' P2 121.8(3) . . ? C23' C22' C21' 120.5(5) . . ? C24' C23' C22' 120.7(5) . . ? C23' C24' C25' 119.1(5) . . ? C26' C25' C24' 120.8(5) . . ? C25' C26' C21' 120.5(5) . . ? _refine_diff_density_max 0.486 _refine_diff_density_min -0.535 _refine_diff_density_rms 0.071