Supplementary Material (ESI) for Chemical Communications This journal is © The Royal Society of Chemistry 2001 data_3827 _database_code_CSD 168806 _publ_requested_journal 'Chemical Communications' _journal_coden_Cambridge 182 loop_ _publ_author_name _publ_author_address 'Helga Krause' ; Max-Planck-Institut fur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 Mulheim an der Ruhr Germany ; 'Alois Furstner' ; Max-Planck-Institut fur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 Mulheim an der Ruhr Germany ; 'Christian W. Lehmann' ; Max-Planck-Institut fur Kohlenforschung Kaiser-Wilhelm-Platz 1 D-45470 Mulheim an der Ruhr Germany ; _publ_contact_author_name 'Prof Alois Fürstner' _publ_contact_author_address ; Max-Planck-Institut für Kohlenforschung Kaiser-Wilhelm-Platz 1 Mülheim/Ruhr D-45470 GERMANY ; _publ_contact_author_email 'FUERSTNER@MPI-MUELHEIM.MPG.DE' _publ_section_title ; Preparation, structure and catalytic properties of a binuclear Pd(0) complex with bridging silylene ligandsI ; #_publ_requested_category FI ; full inorganic #_publ_requested_category FM ; full organometallic #_publ_requested_category FO ; full organic #?If CI, CM or CO remember to remove section "..._molecular_graphics" #_publ_requested_category ?CI ; electronic inorganic #_publ_requested_category ?CM ; electronic organometallic #_publ_requested_category ?CO ; electronic organic _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_compound_source 'see paper' _chemical_formula_moiety ? _chemical_formula_sum 'C28 H35 N2 P Pd Si' _chemical_formula_weight 565.04 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' 'Si' 'Si' 0.0817 0.0704 '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 triclinic _symmetry_space_group_name_H-M 'P-1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.2277(2) _cell_length_b 10.8525(2) _cell_length_c 13.8201(2) _cell_angle_alpha 66.90 _cell_angle_beta 73.51 _cell_angle_gamma 89.89 _cell_volume 1342.51(4) _cell_formula_units_Z 2 _cell_measurement_temperature 100 _cell_measurement_reflns_used 19885 _cell_measurement_theta_min 1.00 _cell_measurement_theta_max 33.14 _exptl_crystal_description block _exptl_crystal_colour 'red-brown' _exptl_crystal_size_max 0.17 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.09 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 1.398 _exptl_crystal_density_method none _exptl_crystal_F_000 584 _exptl_absorpt_coefficient_mu 0.814 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details 'XPREP, Siemens (1995)' _exptl_absorpt_correction_T_min 0.88 _exptl_absorpt_correction_T_max 0.93 _diffrn_ambient_temperature 100 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source '0.3 mm rotating anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method 'CCD \w-scan' _diffrn_standards_number 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0.00 _diffrn_reflns_number 13730 _diffrn_reflns_av_R_equivalents 0.0342 _diffrn_reflns_av_sigmaI/netI 0.0536 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 3.75 _diffrn_reflns_theta_max 33.18 _reflns_number_total 9616 _reflns_number_gt 8948 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'Collect software (Nonius, 1998)' _computing_cell_refinement 'Denzo / Scalepack (Otwinowski 1997)' _computing_data_reduction 'Denzo / Scalepack (Otwinowski 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP (Johnson, 1976)' _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^)+(0.0000P)^2^+0.5202P] 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_number_reflns 9616 _refine_ls_number_parameters 304 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0291 _refine_ls_R_factor_gt 0.0261 _refine_ls_wR_factor_ref 0.0711 _refine_ls_wR_factor_gt 0.0690 _refine_ls_goodness_of_fit_ref 1.040 _refine_ls_restrained_S_all 1.040 _refine_ls_shift/su_max 0.001 _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 0.425653(8) 0.003703(8) 0.094261(7) 0.01222(3) Uani 1 1 d . . . P1 P 0.28511(3) -0.00289(3) 0.25674(3) 0.01360(6) Uani 1 1 d . . . Si1 Si 0.50451(4) -0.19931(4) 0.07798(3) 0.01398(7) Uani 1 1 d . . . N1 N 0.60428(11) -0.29515(11) 0.15843(9) 0.01613(19) Uani 1 1 d . . . N2 N 0.40009(11) -0.34969(11) 0.11494(9) 0.01554(19) Uani 1 1 d . . . C1 C 0.55434(14) -0.43200(13) 0.20970(11) 0.0192(2) Uani 1 1 d . . . H1 H 0.5946 -0.4980 0.2576 0.023 Uiso 1 1 calc R . . C2 C 0.44378(14) -0.46207(13) 0.18508(11) 0.0184(2) Uani 1 1 d . . . H2 H 0.3996 -0.5514 0.2129 0.022 Uiso 1 1 calc R . . C3 C 0.71815(14) -0.24940(14) 0.18765(11) 0.0189(2) Uani 1 1 d . . . C4 C 0.66771(17) -0.27110(17) 0.30919(12) 0.0269(3) Uani 1 1 d . . . H4A H 0.5906 -0.2193 0.3208 0.040 Uiso 1 1 calc R . . H4B H 0.7427 -0.2407 0.3288 0.040 Uiso 1 1 calc R . . H4C H 0.6375 -0.3673 0.3558 0.040 Uiso 1 1 calc R . . C5 C 0.84009(15) -0.32799(17) 0.16743(13) 0.0265(3) Uani 1 1 d . . . H5A H 0.8127 -0.4241 0.2158 0.040 Uiso 1 1 calc R . . H5B H 0.9165 -0.2941 0.1836 0.040 Uiso 1 1 calc R . . H5C H 0.8691 -0.3161 0.0900 0.040 Uiso 1 1 calc R . . C6 C 0.76485(17) -0.09977(16) 0.11503(14) 0.0275(3) Uani 1 1 d . . . H6A H 0.7934 -0.0854 0.0371 0.041 Uiso 1 1 calc R . . H6B H 0.8424 -0.0700 0.1323 0.041 Uiso 1 1 calc R . . H6C H 0.6888 -0.0477 0.1290 0.041 Uiso 1 1 calc R . . C7 C 0.28043(13) -0.37039(13) 0.07984(11) 0.0174(2) Uani 1 1 d . . . C8 C 0.32323(16) -0.43326(17) -0.00410(13) 0.0258(3) Uani 1 1 d . . . H8A H 0.3963 -0.3721 -0.0692 0.039 Uiso 1 1 calc R . . H8B H 0.2439 -0.4483 -0.0263 0.039 Uiso 1 1 calc R . . H8C H 0.3569 -0.5196 0.0294 0.039 Uiso 1 1 calc R . . C9 C 0.23322(15) -0.23384(15) 0.02648(13) 0.0229(3) Uani 1 1 d . . . H9A H 0.2087 -0.1922 0.0795 0.034 Uiso 1 1 calc R . . H9B H 0.1529 -0.2461 0.0044 0.034 Uiso 1 1 calc R . . H9C H 0.3077 -0.1753 -0.0388 0.034 Uiso 1 1 calc R . . C10 C 0.16209(15) -0.46274(15) 0.18076(13) 0.0244(3) Uani 1 1 d . . . H10A H 0.1902 -0.5525 0.2128 0.037 Uiso 1 1 calc R . . H10B H 0.0813 -0.4702 0.1577 0.037 Uiso 1 1 calc R . . H10C H 0.1394 -0.4244 0.2361 0.037 Uiso 1 1 calc R . . C11 C 0.22777(13) -0.16701(13) 0.37649(10) 0.0161(2) Uani 1 1 d . . . C12 C 0.24012(19) -0.28357(15) 0.35747(13) 0.0291(3) Uani 1 1 d . . . H12 H 0.2811 -0.2767 0.2844 0.035 Uiso 1 1 calc R . . C13 C 0.1936(2) -0.41010(16) 0.44360(14) 0.0376(4) Uani 1 1 d . . . H13 H 0.2020 -0.4887 0.4289 0.045 Uiso 1 1 calc R . . C14 C 0.13472(17) -0.42214(15) 0.55115(12) 0.0273(3) Uani 1 1 d . . . H14 H 0.1028 -0.5087 0.6101 0.033 Uiso 1 1 calc R . . C15 C 0.12293(16) -0.30677(15) 0.57167(11) 0.0247(3) Uani 1 1 d . . . H15 H 0.0830 -0.3143 0.6451 0.030 Uiso 1 1 calc R . . C16 C 0.16929(15) -0.18006(14) 0.48522(11) 0.0217(3) Uani 1 1 d . . . H16 H 0.1612 -0.1016 0.5001 0.026 Uiso 1 1 calc R . . C21 C 0.34158(13) 0.09765(13) 0.32165(10) 0.0158(2) Uani 1 1 d . . . C22 C 0.47752(14) 0.09970(16) 0.32236(12) 0.0236(3) Uani 1 1 d . . . H22 H 0.5397 0.0564 0.2844 0.028 Uiso 1 1 calc R . . C23 C 0.52314(16) 0.16450(18) 0.37816(13) 0.0283(3) Uani 1 1 d . . . H23 H 0.6155 0.1633 0.3795 0.034 Uiso 1 1 calc R . . C24 C 0.43448(17) 0.23086(16) 0.43183(12) 0.0259(3) Uani 1 1 d . . . H24 H 0.4661 0.2759 0.4692 0.031 Uiso 1 1 calc R . . C25 C 0.29912(16) 0.23101(14) 0.43054(12) 0.0228(3) Uani 1 1 d . . . H25 H 0.2380 0.2764 0.4670 0.027 Uiso 1 1 calc R . . C26 C 0.25249(14) 0.16479(13) 0.37588(11) 0.0191(2) Uani 1 1 d . . . H26 H 0.1598 0.1652 0.3755 0.023 Uiso 1 1 calc R . . C31 C 0.12171(13) 0.06091(13) 0.24340(10) 0.0152(2) Uani 1 1 d . . . C32 C 0.12896(14) 0.18927(13) 0.16030(11) 0.0186(2) Uani 1 1 d . . . H32 H 0.2161 0.2378 0.1127 0.022 Uiso 1 1 calc R . . C33 C 0.01044(15) 0.24634(15) 0.14668(11) 0.0210(3) Uani 1 1 d . . . H33 H 0.0169 0.3342 0.0909 0.025 Uiso 1 1 calc R . . C34 C -0.11833(14) 0.17483(16) 0.21485(12) 0.0219(3) Uani 1 1 d . . . H34 H -0.1996 0.2136 0.2053 0.026 Uiso 1 1 calc R . . C35 C -0.12700(14) 0.04699(15) 0.29644(12) 0.0222(3) Uani 1 1 d . . . H35 H -0.2145 -0.0021 0.3425 0.027 Uiso 1 1 calc R . . C36 C -0.00784(14) -0.00995(14) 0.31120(11) 0.0198(2) Uani 1 1 d . . . H36 H -0.0147 -0.0974 0.3677 0.024 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 0.01407(5) 0.01239(5) 0.00845(5) -0.00407(4) -0.00116(3) 0.00096(3) P1 0.01605(14) 0.01300(13) 0.00962(12 -0.00467(11 -0.00077(10) 0.00046(10) Si1 0.01558(15) 0.01282(15) 0.01181(14 -0.00378(12 -0.00347(11) 0.00143(11) N1 0.0197(5) 0.0143(5) 0.0140(5) -0.0047(4) -0.0062(4) 0.0032(4) N2 0.0167(5) 0.0138(4) 0.0142(4) -0.0047(4) -0.0033(4) 0.0011(3) C1 0.0241(6) 0.0149(5) 0.0170(5) -0.0044(5) -0.0071(5) 0.0047(4) C2 0.0239(6) 0.0128(5) 0.0167(5) -0.0047(5) -0.0055(4) 0.0020(4) C3 0.0207(6) 0.0216(6) 0.0164(5) -0.0078(5) -0.0084(4) 0.0035(4) C4 0.0330(8) 0.0333(8) 0.0187(6) -0.0137(6) -0.0100(5) 0.0059(6) C5 0.0222(6) 0.0344(8) 0.0252(7) -0.0126(6) -0.0101(5) 0.0082(5) C6 0.0303(7) 0.0220(7) 0.0296(7) -0.0053(6) -0.0159(6) -0.0023(5) C7 0.0166(5) 0.0174(5) 0.0174(5) -0.0075(5) -0.0038(4) -0.0002(4) C8 0.0260(7) 0.0318(8) 0.0260(7) -0.0185(6) -0.0079(5) 0.0023(5) C9 0.0223(6) 0.0204(6) 0.0265(7) -0.0072(5) -0.0115(5) 0.0017(5) C10 0.0191(6) 0.0227(7) 0.0250(7) -0.0065(6) -0.0018(5) -0.0017(5) C11 0.0179(5) 0.0156(5) 0.0111(5) -0.0043(4) -0.0005(4) 0.0002(4) C12 0.0439(9) 0.0167(6) 0.0163(6) -0.0058(5) 0.0048(6) -0.0009(6) C13 0.0600(12) 0.0152(6) 0.0229(7) -0.0062(6) 0.0066(7) -0.0001(7) C14 0.0355(8) 0.0179(6) 0.0173(6) -0.0007(5) -0.0012(5) 0.0001(5) C15 0.0329(7) 0.0228(7) 0.0115(5) -0.0040(5) -0.0012(5) -0.0039(5) C16 0.0310(7) 0.0179(6) 0.0123(5) -0.0062(5) -0.0008(5) 0.0000(5) C21 0.0192(5) 0.0147(5) 0.0116(5) -0.0051(4) -0.0023(4) -0.0004(4) C22 0.0191(6) 0.0324(7) 0.0219(6) -0.0155(6) -0.0037(5) 0.0012(5) C23 0.0232(7) 0.0390(9) 0.0248(7) -0.0164(7) -0.0058(5) -0.0032(6) C24 0.0358(8) 0.0241(7) 0.0171(6) -0.0092(6) -0.0059(5) -0.0062(6) C25 0.0333(7) 0.0173(6) 0.0171(6) -0.0089(5) -0.0042(5) 0.0010(5) C26 0.0232(6) 0.0168(6) 0.0166(5) -0.0076(5) -0.0040(4) 0.0021(4) C31 0.0170(5) 0.0171(5) 0.0123(5) -0.0080(4) -0.0031(4) 0.0009(4) C32 0.0205(6) 0.0168(5) 0.0153(5) -0.0050(5) -0.0032(4) 0.0012(4) C33 0.0249(6) 0.0213(6) 0.0170(6) -0.0078(5) -0.0067(5) 0.0045(5) C34 0.0206(6) 0.0292(7) 0.0200(6) -0.0130(6) -0.0080(5) 0.0062(5) C35 0.0174(6) 0.0269(7) 0.0216(6) -0.0103(6) -0.0043(5) -0.0008(5) C36 0.0191(6) 0.0192(6) 0.0180(6) -0.0062(5) -0.0031(4) -0.0014(4) _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 P1 2.2706(3) . ? Pd1 Si1 2.3996(3) 2_655 ? Pd1 Si1 2.4154(4) . ? Pd1 Pd1 2.65005(17) 2_655 ? P1 C31 1.8375(13) . ? P1 C21 1.8422(14) . ? P1 C11 1.8426(13) . ? Si1 N1 1.7582(11) . ? Si1 N2 1.7630(12) . ? Si1 Pd1 2.3996(3) 2_655 ? N1 C1 1.3930(17) . ? N1 C3 1.4807(18) . ? N2 C2 1.3938(16) . ? N2 C7 1.4857(17) . ? C1 C2 1.344(2) . ? C1 H1 0.9500 . ? C2 H2 0.9500 . ? C3 C6 1.525(2) . ? C3 C4 1.530(2) . ? C3 C5 1.532(2) . ? C4 H4A 0.9800 . ? C4 H4B 0.9800 . ? C4 H4C 0.9800 . ? C5 H5A 0.9800 . ? C5 H5B 0.9800 . ? C5 H5C 0.9800 . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 C9 1.5214(19) . ? C7 C8 1.528(2) . ? C7 C10 1.5377(19) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 C12 1.388(2) . ? C11 C16 1.3996(18) . ? C12 C13 1.388(2) . ? C12 H12 0.9500 . ? C13 C14 1.389(2) . ? C13 H13 0.9500 . ? C14 C15 1.386(2) . ? C14 H14 0.9500 . ? C15 C16 1.3910(19) . ? C15 H15 0.9500 . ? C16 H16 0.9500 . ? C21 C22 1.3934(19) . ? C21 C26 1.4004(18) . ? C22 C23 1.392(2) . ? C22 H22 0.9500 . ? C23 C24 1.388(2) . ? C23 H23 0.9500 . ? C24 C25 1.390(2) . ? C24 H24 0.9500 . ? C25 C26 1.395(2) . ? C25 H25 0.9500 . ? C26 H26 0.9500 . ? C31 C36 1.3996(17) . ? C31 C32 1.4006(18) . ? C32 C33 1.3868(19) . ? C32 H32 0.9500 . ? C33 C34 1.397(2) . ? C33 H33 0.9500 . ? C34 C35 1.386(2) . ? C34 H34 0.9500 . ? C35 C36 1.396(2) . ? C35 H35 0.9500 . ? C36 H36 0.9500 . ? 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 Si1 125.532(12) . 2_655 ? P1 Pd1 Si1 121.063(12) . . ? Si1 Pd1 Si1 113.217(10) 2_655 . ? P1 Pd1 Pd1 175.238(10) . 2_655 ? Si1 Pd1 Pd1 56.893(9) 2_655 2_655 ? Si1 Pd1 Pd1 56.324(9) . 2_655 ? C31 P1 C21 101.39(6) . . ? C31 P1 C11 102.43(6) . . ? C21 P1 C11 100.13(6) . . ? C31 P1 Pd1 112.00(4) . . ? C21 P1 Pd1 119.21(4) . . ? C11 P1 Pd1 118.98(4) . . ? N1 Si1 N2 88.80(5) . . ? N1 Si1 Pd1 129.60(4) . 2_655 ? N2 Si1 Pd1 129.22(4) . 2_655 ? N1 Si1 Pd1 120.86(4) . . ? N2 Si1 Pd1 126.10(4) . . ? Pd1 Si1 Pd1 66.784(10) 2_655 . ? C1 N1 C3 118.11(11) . . ? C1 N1 Si1 111.97(9) . . ? C3 N1 Si1 129.49(9) . . ? C2 N2 C7 118.62(11) . . ? C2 N2 Si1 111.87(9) . . ? C7 N2 Si1 129.49(9) . . ? C2 C1 N1 113.75(12) . . ? C2 C1 H1 123.1 . . ? N1 C1 H1 123.1 . . ? C1 C2 N2 113.60(12) . . ? C1 C2 H2 123.2 . . ? N2 C2 H2 123.2 . . ? N1 C3 C6 109.30(11) . . ? N1 C3 C4 109.21(11) . . ? C6 C3 C4 109.50(13) . . ? N1 C3 C5 110.02(12) . . ? C6 C3 C5 108.50(12) . . ? C4 C3 C5 110.29(12) . . ? C3 C4 H4A 109.5 . . ? C3 C4 H4B 109.5 . . ? H4A C4 H4B 109.5 . . ? C3 C4 H4C 109.5 . . ? H4A C4 H4C 109.5 . . ? H4B C4 H4C 109.5 . . ? C3 C5 H5A 109.5 . . ? C3 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C3 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C3 C6 H6A 109.5 . . ? C3 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C3 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? N2 C7 C9 108.52(11) . . ? N2 C7 C8 109.47(11) . . ? C9 C7 C8 109.47(12) . . ? N2 C7 C10 110.04(11) . . ? C9 C7 C10 109.18(11) . . ? C8 C7 C10 110.14(12) . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C7 C10 H10A 109.5 . . ? C7 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C7 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 C16 118.35(12) . . ? C12 C11 P1 118.24(10) . . ? C16 C11 P1 123.38(10) . . ? C13 C12 C11 121.05(14) . . ? C13 C12 H12 119.5 . . ? C11 C12 H12 119.5 . . ? C12 C13 C14 120.24(15) . . ? C12 C13 H13 119.9 . . ? C14 C13 H13 119.9 . . ? C15 C14 C13 119.42(13) . . ? C15 C14 H14 120.3 . . ? C13 C14 H14 120.3 . . ? C14 C15 C16 120.26(13) . . ? C14 C15 H15 119.9 . . ? C16 C15 H15 119.9 . . ? C15 C16 C11 120.68(13) . . ? C15 C16 H16 119.7 . . ? C11 C16 H16 119.7 . . ? C22 C21 C26 118.76(13) . . ? C22 C21 P1 118.04(10) . . ? C26 C21 P1 123.09(10) . . ? C21 C22 C23 120.65(14) . . ? C21 C22 H22 119.7 . . ? C23 C22 H22 119.7 . . ? C24 C23 C22 120.38(14) . . ? C24 C23 H23 119.8 . . ? C22 C23 H23 119.8 . . ? C23 C24 C25 119.52(14) . . ? C23 C24 H24 120.2 . . ? C25 C24 H24 120.2 . . ? C24 C25 C26 120.30(14) . . ? C24 C25 H25 119.9 . . ? C26 C25 H25 119.9 . . ? C21 C26 C25 120.38(13) . . ? C21 C26 H26 119.8 . . ? C25 C26 H26 119.8 . . ? C36 C31 C32 118.62(12) . . ? C36 C31 P1 124.19(10) . . ? C32 C31 P1 117.19(9) . . ? C33 C32 C31 120.81(12) . . ? C33 C32 H32 119.6 . . ? C31 C32 H32 119.6 . . ? C32 C33 C34 120.10(13) . . ? C32 C33 H33 120.0 . . ? C34 C33 H33 120.0 . . ? C35 C34 C33 119.68(13) . . ? C35 C34 H34 120.2 . . ? C33 C34 H34 120.2 . . ? C34 C35 C36 120.32(13) . . ? C34 C35 H35 119.8 . . ? C36 C35 H35 119.8 . . ? C31 C36 C35 120.46(13) . . ? C31 C36 H36 119.8 . . ? C35 C36 H36 119.8 . . ? _diffrn_measured_fraction_theta_max 0.937 _diffrn_reflns_theta_full 33.18 _diffrn_measured_fraction_theta_full 0.937 _refine_diff_density_max 0.694 _refine_diff_density_min -0.876 _refine_diff_density_rms 0.078