# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2011 data_global _journal_name_full 'Dalton Trans.' #TrackingRef '- Radiusetal.cif' _journal_coden_Cambridge 0222 _publ_contact_letter ; These are the CIF format data (2 compounds) for the paper Si-H activation of Hydrosilanes leading to Hydrido Silyl and Bis(silyl) Nickel Complexes Authors: Thomas Zell, Thomas Schaub, Krzysztof Radacki and Udo Radius ; _publ_section_title ; Si-H activation of Hydrosilanes leading to Hydrido Silyl and Bis(silyl) Nickel Complexes ; _publ_contact_author_name 'Udo Radius' _publ_contact_author_address ;Institute for Inorganic Chemistry University of W\"urzburg Am Hubland D-97074 W\"urzburg Germany ; _publ_contact_author_email u.radius@uni-wuerzburg.de _audit_creation_method 'SHELXL-97 + manual editing' loop_ _publ_author_name 'Thomas Zell' 'Thomas Schaub' 'Krzysztof Radacki' 'Udo Radius' data_compound2 _database_code_depnum_ccdc_archive 'CCDC 797538' #TrackingRef '- Radiusetal.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; (iPr2Im)1(SiHPh2)2Ni(II) ; _chemical_formula_sum 'C34 H56 N4 Ni O Si2' _chemical_formula_weight 651.72 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ni Ni 0.3393 1.1124 '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/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 10.608(2) _cell_length_b 10.799(2) _cell_length_c 32.098(6) _cell_angle_alpha 90.00 _cell_angle_beta 96.47(3) _cell_angle_gamma 90.00 _cell_volume 3653.7(13) _cell_formula_units_Z 4 _cell_measurement_temperature 203(2) _cell_measurement_reflns_used 2000 _cell_measurement_theta_min 2.5 _cell_measurement_theta_max 25 _exptl_crystal_description prism _exptl_crystal_colour red _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.40 _exptl_crystal_size_min 0.30 _exptl_crystal_density_diffrn 1.185 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1408 _exptl_absorpt_coefficient_mu 0.627 _exptl_absorpt_correction_type none _diffrn_ambient_temperature 203(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 ' STOE STADI 4 CCD' _diffrn_measurement_method rotation _diffrn_detector_area_resol_mean 6.67 _diffrn_reflns_number 27454 _diffrn_reflns_av_R_equivalents 0.0716 _diffrn_reflns_av_sigmaI/netI 0.0551 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_l_min -39 _diffrn_reflns_limit_l_max 25 _diffrn_reflns_theta_min 3.57 _diffrn_reflns_theta_max 26.37 _reflns_number_total 7420 _reflns_number_gt 5973 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'kuma ccd' _computing_cell_refinement 'kuma ccd' _computing_data_reduction 'kuma ccd' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.1070P)^2^+0.6852P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0081(12) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 7420 _refine_ls_number_parameters 371 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0731 _refine_ls_R_factor_gt 0.0560 _refine_ls_wR_factor_ref 0.1787 _refine_ls_wR_factor_gt 0.1510 _refine_ls_goodness_of_fit_ref 1.142 _refine_ls_restrained_S_all 1.142 _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 Ni1 Ni 0.25314(3) 0.90644(3) 0.132660(10) 0.02226(16) Uani 1 1 d . . . Si1 Si 0.04551(7) 0.93337(8) 0.11765(2) 0.0280(2) Uani 1 1 d . . . Si2 Si 0.25236(9) 1.10643(8) 0.14907(3) 0.0299(2) Uani 1 1 d . . . N1 N 0.2713(2) 0.6407(2) 0.10618(8) 0.0303(6) Uani 1 1 d . . . N2 N 0.2554(2) 0.7685(2) 0.05481(7) 0.0294(6) Uani 1 1 d . . . N3 N 0.5317(2) 0.8875(3) 0.15854(8) 0.0318(6) Uani 1 1 d . . . N4 N 0.4205(2) 0.8460(3) 0.20807(8) 0.0305(6) Uani 1 1 d . . . C1 C 0.2552(3) 0.7641(3) 0.09733(9) 0.0259(6) Uani 1 1 d . . . C2 C 0.2831(3) 0.5727(3) 0.07060(10) 0.0388(8) Uani 1 1 d . . . H2A H 0.2961 0.4877 0.0692 0.047 Uiso 1 1 calc R . . C3 C 0.2722(3) 0.6513(3) 0.03871(10) 0.0381(8) Uani 1 1 d . . . H3A H 0.2752 0.6315 0.0106 0.046 Uiso 1 1 calc R . . C4 C 0.2354(3) 0.8812(3) 0.02980(10) 0.0341(7) Uani 1 1 d . . . H4A H 0.2223 0.9497 0.0489 0.041 Uiso 1 1 calc R . . C5 C 0.1170(4) 0.8686(4) -0.00085(11) 0.0481(9) Uani 1 1 d . . . H5A H 0.0459 0.8504 0.0142 0.072 Uiso 1 1 calc R . . H5B H 0.1281 0.8027 -0.0202 0.072 Uiso 1 1 calc R . . H5C H 0.1017 0.9448 -0.0160 0.072 Uiso 1 1 calc R . . C6 C 0.3505(4) 0.9108(4) 0.00808(12) 0.0508(10) Uani 1 1 d . . . H6A H 0.4232 0.9190 0.0286 0.076 Uiso 1 1 calc R . . H6B H 0.3368 0.9871 -0.0071 0.076 Uiso 1 1 calc R . . H6C H 0.3647 0.8453 -0.0111 0.076 Uiso 1 1 calc R . . C7 C 0.2823(3) 0.5896(3) 0.14853(10) 0.0347(7) Uani 1 1 d . . . H7A H 0.2616 0.6554 0.1676 0.042 Uiso 1 1 calc R . . C8 C 0.1888(4) 0.4841(3) 0.15165(12) 0.0465(9) Uani 1 1 d . . . H8A H 0.1042 0.5132 0.1433 0.070 Uiso 1 1 calc R . . H8B H 0.1949 0.4550 0.1801 0.070 Uiso 1 1 calc R . . H8C H 0.2083 0.4177 0.1336 0.070 Uiso 1 1 calc R . . C9 C 0.4180(4) 0.5489(4) 0.16171(12) 0.0467(9) Uani 1 1 d . . . H9A H 0.4743 0.6176 0.1595 0.070 Uiso 1 1 calc R . . H9B H 0.4400 0.4830 0.1438 0.070 Uiso 1 1 calc R . . H9C H 0.4256 0.5203 0.1902 0.070 Uiso 1 1 calc R . . C10 C 0.4092(3) 0.8809(3) 0.16738(9) 0.0268(6) Uani 1 1 d . . . C11 C 0.6155(3) 0.8558(4) 0.19301(10) 0.0389(8) Uani 1 1 d . . . H11A H 0.7034 0.8527 0.1942 0.047 Uiso 1 1 calc R . . C12 C 0.5468(3) 0.8308(4) 0.22401(10) 0.0387(8) Uani 1 1 d . . . H12A H 0.5773 0.8076 0.2512 0.046 Uiso 1 1 calc R . . C13 C 0.3120(3) 0.8342(3) 0.23222(10) 0.0336(7) Uani 1 1 d . . . H13A H 0.2351 0.8293 0.2123 0.040 Uiso 1 1 calc R . . C14 C 0.3013(3) 0.9481(4) 0.25914(11) 0.0427(8) Uani 1 1 d . . . H14A H 0.2945 1.0205 0.2417 0.064 Uiso 1 1 calc R . . H14B H 0.3754 0.9547 0.2792 0.064 Uiso 1 1 calc R . . H14C H 0.2272 0.9414 0.2736 0.064 Uiso 1 1 calc R . . C15 C 0.3202(4) 0.7168(4) 0.25810(11) 0.0476(9) Uani 1 1 d . . . H15A H 0.3255 0.6466 0.2400 0.071 Uiso 1 1 calc R . . H15B H 0.2459 0.7095 0.2725 0.071 Uiso 1 1 calc R . . H15C H 0.3943 0.7198 0.2782 0.071 Uiso 1 1 calc R . . C16 C 0.5676(3) 0.9169(3) 0.11721(10) 0.0354(7) Uani 1 1 d . . . H16A H 0.4929 0.9507 0.1003 0.042 Uiso 1 1 calc R . . C17 C 0.6071(4) 0.8000(4) 0.09592(12) 0.0500(9) Uani 1 1 d . . . H17A H 0.5390 0.7410 0.0942 0.075 Uiso 1 1 calc R . . H17B H 0.6807 0.7653 0.1119 0.075 Uiso 1 1 calc R . . H17C H 0.6267 0.8196 0.0682 0.075 Uiso 1 1 calc R . . C18 C 0.6703(3) 1.0151(4) 0.12036(12) 0.0463(9) Uani 1 1 d . . . H18A H 0.6413 1.0873 0.1339 0.069 Uiso 1 1 calc R . . H18B H 0.6896 1.0366 0.0928 0.069 Uiso 1 1 calc R . . H18C H 0.7453 0.9836 0.1365 0.069 Uiso 1 1 calc R . . C19 C -0.0143(3) 0.8753(3) 0.16730(9) 0.0285(6) Uani 1 1 d . . . C20 C -0.0261(3) 0.9513(4) 0.20131(10) 0.0382(8) Uani 1 1 d . . . H20A H -0.0117 1.0358 0.1990 0.046 Uiso 1 1 calc R . . C21 C -0.0588(4) 0.9044(4) 0.23879(11) 0.0518(11) Uani 1 1 d . . . H21A H -0.0661 0.9578 0.2611 0.062 Uiso 1 1 calc R . . C22 C -0.0803(3) 0.7828(5) 0.24332(13) 0.0566(12) Uani 1 1 d . . . H22A H -0.1016 0.7519 0.2687 0.068 Uiso 1 1 calc R . . C23 C -0.0704(4) 0.7049(4) 0.21011(16) 0.0600(12) Uani 1 1 d . . . H23A H -0.0852 0.6206 0.2130 0.072 Uiso 1 1 calc R . . C24 C -0.0387(3) 0.7504(3) 0.17258(13) 0.0435(8) Uani 1 1 d . . . H24A H -0.0335 0.6963 0.1503 0.052 Uiso 1 1 calc R . . C25 C 0.2975(3) 1.1877(3) 0.10052(9) 0.0294(6) Uani 1 1 d . . . C26 C 0.2163(3) 1.1948(3) 0.06333(10) 0.0363(7) Uani 1 1 d . . . H26A H 0.1337 1.1655 0.0628 0.044 Uiso 1 1 calc R . . C27 C 0.2550(4) 1.2442(3) 0.02722(11) 0.0435(8) Uani 1 1 d . . . H27A H 0.1988 1.2482 0.0029 0.052 Uiso 1 1 calc R . . C28 C 0.3780(4) 1.2877(3) 0.02734(11) 0.0461(9) Uani 1 1 d . . . H28A H 0.4047 1.3196 0.0029 0.055 Uiso 1 1 calc R . . C29 C 0.4602(3) 1.2839(3) 0.06348(12) 0.0439(9) Uani 1 1 d . . . H29A H 0.5423 1.3143 0.0637 0.053 Uiso 1 1 calc R . . C30 C 0.4199(3) 1.2341(3) 0.09989(11) 0.0359(7) Uani 1 1 d . . . H30A H 0.4761 1.2319 0.1243 0.043 Uiso 1 1 calc R . . O1 O 0.7800(3) 0.3899(3) 0.07045(9) 0.0567(7) Uiso 1 1 d . . . C34 C 0.8575(4) 0.3161(4) 0.09973(13) 0.0563(10) Uiso 1 1 d . . . H34A H 0.9458 0.3349 0.0972 0.068 Uiso 1 1 calc R . . H34B H 0.8437 0.2297 0.0925 0.068 Uiso 1 1 calc R . . C33 C 0.8345(5) 0.3339(5) 0.14397(16) 0.0754(14) Uiso 1 1 d . . . H33A H 0.8907 0.2816 0.1617 0.113 Uiso 1 1 calc R . . H33B H 0.7482 0.3128 0.1471 0.113 Uiso 1 1 calc R . . H33C H 0.8497 0.4189 0.1518 0.113 Uiso 1 1 calc R . . C32 C 0.8157(5) 0.5188(5) 0.07093(18) 0.0812(15) Uiso 1 1 d . . . H32A H 0.8308 0.5467 0.0998 0.097 Uiso 1 1 calc R . . H32B H 0.7457 0.5668 0.0572 0.097 Uiso 1 1 calc R . . C31 C 0.9292(6) 0.5423(7) 0.0501(2) 0.0992(19) Uiso 1 1 d . . . H31A H 0.9485 0.6292 0.0514 0.149 Uiso 1 1 calc R . . H31B H 0.9142 0.5166 0.0214 0.149 Uiso 1 1 calc R . . H31C H 0.9993 0.4965 0.0640 0.149 Uiso 1 1 calc R . . H1A H -0.019(3) 0.854(3) 0.0848(10) 0.031(8) Uiso 1 1 d . . . H1B H -0.016(3) 1.053(3) 0.1098(9) 0.025(8) Uiso 1 1 d . . . H2B H 0.356(3) 1.146(3) 0.1806(11) 0.040(9) Uiso 1 1 d . . . H2C H 0.138(3) 1.179(3) 0.1610(10) 0.034(9) Uiso 1 1 d . . . 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 Ni1 0.0208(2) 0.0249(2) 0.0209(2) -0.00294(13) 0.00170(15) 0.00296(13) Si1 0.0213(4) 0.0389(5) 0.0235(4) -0.0011(3) 0.0018(3) 0.0046(3) Si2 0.0388(5) 0.0259(5) 0.0252(4) -0.0041(3) 0.0051(3) 0.0011(3) N1 0.0342(13) 0.0292(14) 0.0273(13) -0.0026(11) 0.0017(10) 0.0071(11) N2 0.0353(13) 0.0293(14) 0.0233(12) -0.0041(10) 0.0021(10) 0.0065(11) N3 0.0211(12) 0.0439(16) 0.0297(13) -0.0019(11) 0.0005(10) 0.0049(11) N4 0.0249(12) 0.0391(15) 0.0271(12) -0.0035(11) 0.0005(10) 0.0032(11) C1 0.0223(13) 0.0282(15) 0.0265(14) -0.0032(12) 0.0005(11) 0.0043(11) C2 0.050(2) 0.0301(17) 0.0352(17) -0.0098(14) -0.0005(15) 0.0105(14) C3 0.050(2) 0.0376(19) 0.0260(15) -0.0106(14) 0.0019(14) 0.0086(15) C4 0.0433(18) 0.0347(17) 0.0250(15) -0.0012(13) 0.0064(13) 0.0100(14) C5 0.052(2) 0.057(2) 0.0337(18) 0.0047(17) 0.0004(16) 0.0186(19) C6 0.054(2) 0.061(3) 0.040(2) 0.0136(17) 0.0165(18) 0.0097(18) C7 0.0443(19) 0.0290(17) 0.0307(16) 0.0006(13) 0.0035(14) 0.0092(13) C8 0.056(2) 0.0316(19) 0.053(2) 0.0005(16) 0.0137(18) 0.0041(16) C9 0.052(2) 0.044(2) 0.0408(19) 0.0028(17) -0.0062(16) 0.0119(18) C10 0.0244(14) 0.0311(16) 0.0247(14) -0.0047(12) 0.0012(11) 0.0008(11) C11 0.0229(15) 0.056(2) 0.0357(17) -0.0011(16) -0.0042(13) 0.0065(14) C12 0.0293(16) 0.055(2) 0.0286(16) -0.0019(15) -0.0100(13) 0.0062(15) C13 0.0306(15) 0.0425(19) 0.0273(15) -0.0041(13) 0.0013(12) -0.0012(13) C14 0.0420(19) 0.055(2) 0.0321(17) -0.0095(16) 0.0081(14) 0.0016(17) C15 0.055(2) 0.049(2) 0.0391(19) 0.0070(17) 0.0097(17) 0.0042(18) C16 0.0249(15) 0.048(2) 0.0336(17) 0.0019(14) 0.0056(13) 0.0076(13) C17 0.049(2) 0.059(2) 0.045(2) -0.0083(18) 0.0167(17) 0.0082(18) C18 0.0290(17) 0.052(2) 0.058(2) 0.0083(18) 0.0047(15) 0.0015(15) C19 0.0194(13) 0.0359(16) 0.0293(15) 0.0019(13) -0.0008(11) -0.0004(11) C20 0.0358(17) 0.048(2) 0.0321(16) -0.0021(15) 0.0078(13) -0.0119(15) C21 0.038(2) 0.092(3) 0.0250(17) -0.0005(18) 0.0018(14) -0.0201(19) C22 0.0320(18) 0.092(3) 0.046(2) 0.033(2) 0.0025(16) -0.002(2) C23 0.041(2) 0.046(2) 0.095(3) 0.038(2) 0.014(2) 0.0056(17) C24 0.0378(18) 0.0313(18) 0.062(2) 0.0062(16) 0.0100(16) 0.0062(14) C25 0.0337(16) 0.0217(14) 0.0337(16) -0.0037(12) 0.0085(13) 0.0051(12) C26 0.0387(17) 0.0349(18) 0.0352(16) -0.0004(14) 0.0034(14) 0.0010(14) C27 0.056(2) 0.039(2) 0.0356(18) 0.0021(15) 0.0059(16) 0.0052(16) C28 0.065(2) 0.0379(19) 0.0389(19) 0.0034(16) 0.0213(18) 0.0080(17) C29 0.0422(19) 0.0356(19) 0.058(2) -0.0005(17) 0.0251(17) 0.0029(15) C30 0.0344(16) 0.0316(17) 0.0424(18) -0.0019(14) 0.0082(14) 0.0073(13) _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 Ni1 C10 1.909(3) . ? Ni1 C1 1.911(3) . ? Ni1 Si1 2.2201(10) . ? Ni1 Si2 2.2232(10) . ? Si1 C19 1.887(3) . ? Si1 H1A 1.47(3) . ? Si1 H1B 1.46(3) . ? Si2 C25 1.896(3) . ? Si2 H2B 1.47(4) . ? Si2 H2C 1.53(3) . ? N1 C1 1.370(4) . ? N1 C2 1.375(4) . ? N1 C7 1.460(4) . ? N2 C1 1.366(4) . ? N2 C3 1.386(4) . ? N2 C4 1.460(4) . ? N3 C10 1.362(4) . ? N3 C11 1.382(4) . ? N3 C16 1.456(4) . ? N4 C10 1.352(4) . ? N4 C12 1.389(4) . ? N4 C13 1.463(4) . ? C2 C3 1.325(5) . ? C2 H2A 0.9300 . ? C3 H3A 0.9300 . ? C4 C6 1.506(5) . ? C4 C5 1.512(5) . ? C4 H4A 0.9800 . ? C5 H5A 0.9600 . ? C5 H5B 0.9600 . ? C5 H5C 0.9600 . ? C6 H6A 0.9600 . ? C6 H6B 0.9600 . ? C6 H6C 0.9600 . ? C7 C9 1.519(5) . ? C7 C8 1.521(5) . ? C7 H7A 0.9800 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 H9A 0.9600 . ? C9 H9B 0.9600 . ? C9 H9C 0.9600 . ? C11 C12 1.326(5) . ? C11 H11A 0.9300 . ? C12 H12A 0.9300 . ? C13 C15 1.512(5) . ? C13 C14 1.515(5) . ? C13 H13A 0.9800 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 C18 1.516(5) . ? C16 C17 1.517(5) . ? C16 H16A 0.9800 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 C20 1.383(4) . ? C19 C24 1.387(5) . ? C20 C21 1.385(5) . ? C20 H20A 0.9300 . ? C21 C22 1.343(6) . ? C21 H21A 0.9300 . ? C22 C23 1.371(6) . ? C22 H22A 0.9300 . ? C23 C24 1.377(6) . ? C23 H23A 0.9300 . ? C24 H24A 0.9300 . ? C25 C26 1.393(4) . ? C25 C30 1.394(4) . ? C26 C27 1.379(5) . ? C26 H26A 0.9300 . ? C27 C28 1.386(5) . ? C27 H27A 0.9300 . ? C28 C29 1.371(5) . ? C28 H28A 0.9300 . ? C29 C30 1.396(5) . ? C29 H29A 0.9300 . ? C30 H30A 0.9300 . ? O1 C34 1.421(5) . ? O1 C32 1.442(6) . ? C34 C33 1.480(6) . ? C34 H34A 0.9700 . ? C34 H34B 0.9700 . ? C33 H33A 0.9600 . ? C33 H33B 0.9600 . ? C33 H33C 0.9600 . ? C32 C31 1.463(8) . ? C32 H32A 0.9700 . ? C32 H32B 0.9700 . ? C31 H31A 0.9600 . ? C31 H31B 0.9600 . ? C31 H31C 0.9600 . ? 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 C10 Ni1 C1 99.41(12) . . ? C10 Ni1 Si1 156.89(9) . . ? C1 Ni1 Si1 93.08(9) . . ? C10 Ni1 Si2 91.60(9) . . ? C1 Ni1 Si2 157.24(9) . . ? Si1 Ni1 Si2 83.92(4) . . ? C19 Si1 Ni1 101.11(9) . . ? C19 Si1 H1A 103.9(12) . . ? Ni1 Si1 H1A 116.7(13) . . ? C19 Si1 H1B 104.7(12) . . ? Ni1 Si1 H1B 124.7(12) . . ? H1A Si1 H1B 103.3(18) . . ? C25 Si2 Ni1 104.28(10) . . ? C25 Si2 H2B 101.1(14) . . ? Ni1 Si2 H2B 115.0(14) . . ? C25 Si2 H2C 104.5(12) . . ? Ni1 Si2 H2C 125.4(13) . . ? H2B Si2 H2C 103.5(19) . . ? C1 N1 C2 111.6(3) . . ? C1 N1 C7 123.8(2) . . ? C2 N1 C7 124.5(3) . . ? C1 N2 C3 110.8(3) . . ? C1 N2 C4 124.2(2) . . ? C3 N2 C4 124.9(2) . . ? C10 N3 C11 111.3(3) . . ? C10 N3 C16 123.7(3) . . ? C11 N3 C16 124.9(3) . . ? C10 N4 C12 111.4(3) . . ? C10 N4 C13 123.2(2) . . ? C12 N4 C13 125.3(3) . . ? N2 C1 N1 103.1(2) . . ? N2 C1 Ni1 124.5(2) . . ? N1 C1 Ni1 132.0(2) . . ? C3 C2 N1 106.9(3) . . ? C3 C2 H2A 126.5 . . ? N1 C2 H2A 126.5 . . ? C2 C3 N2 107.5(3) . . ? C2 C3 H3A 126.2 . . ? N2 C3 H3A 126.2 . . ? N2 C4 C6 110.9(3) . . ? N2 C4 C5 110.0(3) . . ? C6 C4 C5 112.0(3) . . ? N2 C4 H4A 107.9 . . ? C6 C4 H4A 107.9 . . ? C5 C4 H4A 107.9 . . ? C4 C5 H5A 109.5 . . ? C4 C5 H5B 109.5 . . ? H5A C5 H5B 109.5 . . ? C4 C5 H5C 109.5 . . ? H5A C5 H5C 109.5 . . ? H5B C5 H5C 109.5 . . ? C4 C6 H6A 109.5 . . ? C4 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C4 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? N1 C7 C9 110.0(3) . . ? N1 C7 C8 111.1(3) . . ? C9 C7 C8 111.7(3) . . ? N1 C7 H7A 107.9 . . ? C9 C7 H7A 107.9 . . ? C8 C7 H7A 107.9 . . ? 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 . . ? N4 C10 N3 103.5(2) . . ? N4 C10 Ni1 125.5(2) . . ? N3 C10 Ni1 131.0(2) . . ? C12 C11 N3 107.0(3) . . ? C12 C11 H11A 126.5 . . ? N3 C11 H11A 126.5 . . ? C11 C12 N4 106.8(3) . . ? C11 C12 H12A 126.6 . . ? N4 C12 H12A 126.6 . . ? N4 C13 C15 111.4(3) . . ? N4 C13 C14 110.2(3) . . ? C15 C13 C14 111.8(3) . . ? N4 C13 H13A 107.8 . . ? C15 C13 H13A 107.8 . . ? C14 C13 H13A 107.8 . . ? C13 C14 H14A 109.5 . . ? C13 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C13 C15 H15A 109.5 . . ? C13 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C13 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? N3 C16 C18 110.6(3) . . ? N3 C16 C17 110.0(3) . . ? C18 C16 C17 112.3(3) . . ? N3 C16 H16A 107.9 . . ? C18 C16 H16A 107.9 . . ? C17 C16 H16A 107.9 . . ? C16 C17 H17A 109.5 . . ? C16 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C16 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C20 C19 C24 116.5(3) . . ? C20 C19 Si1 122.6(2) . . ? C24 C19 Si1 120.8(3) . . ? C19 C20 C21 121.5(4) . . ? C19 C20 H20A 119.2 . . ? C21 C20 H20A 119.2 . . ? C22 C21 C20 120.9(4) . . ? C22 C21 H21A 119.5 . . ? C20 C21 H21A 119.5 . . ? C21 C22 C23 119.1(4) . . ? C21 C22 H22A 120.4 . . ? C23 C22 H22A 120.4 . . ? C22 C23 C24 120.6(4) . . ? C22 C23 H23A 119.7 . . ? C24 C23 H23A 119.7 . . ? C23 C24 C19 121.4(4) . . ? C23 C24 H24A 119.3 . . ? C19 C24 H24A 119.3 . . ? C26 C25 C30 117.0(3) . . ? C26 C25 Si2 122.8(2) . . ? C30 C25 Si2 120.0(2) . . ? C27 C26 C25 121.8(3) . . ? C27 C26 H26A 119.1 . . ? C25 C26 H26A 119.1 . . ? C26 C27 C28 119.9(3) . . ? C26 C27 H27A 120.1 . . ? C28 C27 H27A 120.1 . . ? C29 C28 C27 120.0(3) . . ? C29 C28 H28A 120.0 . . ? C27 C28 H28A 120.0 . . ? C28 C29 C30 119.6(3) . . ? C28 C29 H29A 120.2 . . ? C30 C29 H29A 120.2 . . ? C25 C30 C29 121.6(3) . . ? C25 C30 H30A 119.2 . . ? C29 C30 H30A 119.2 . . ? C34 O1 C32 113.7(4) . . ? O1 C34 C33 114.6(4) . . ? O1 C34 H34A 108.6 . . ? C33 C34 H34A 108.6 . . ? O1 C34 H34B 108.6 . . ? C33 C34 H34B 108.6 . . ? H34A C34 H34B 107.6 . . ? C34 C33 H33A 109.5 . . ? C34 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C34 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? O1 C32 C31 113.0(5) . . ? O1 C32 H32A 109.0 . . ? C31 C32 H32A 109.0 . . ? O1 C32 H32B 109.0 . . ? C31 C32 H32B 109.0 . . ? H32A C32 H32B 107.8 . . ? C32 C31 H31A 109.5 . . ? C32 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C32 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.921 _refine_diff_density_min -0.767 _refine_diff_density_rms 0.142 _chemical_name_common (iPr2Im)1(SiHPh2)2Ni(ii) data_compound5 _database_code_depnum_ccdc_archive 'CCDC 797539' #TrackingRef '- Radiusetal.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; (iPr2Im)1(SiMePh2)(H)Ni(II) ; _chemical_formula_moiety 'C31 H46 N4 Ni Si' _chemical_formula_sum 'C31 H46 N4 Ni Si' _chemical_formula_weight 561.52 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' Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/n _symmetry_space_group_name_Hall '-P 2yn' 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 9.8713(8) _cell_length_b 28.291(2) _cell_length_c 11.4697(9) _cell_angle_alpha 90.00 _cell_angle_beta 105.117(2) _cell_angle_gamma 90.00 _cell_volume 3092.3(4) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 9663 _cell_measurement_theta_min 2.26 _cell_measurement_theta_max 26.76 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.11 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.206 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1208 _exptl_absorpt_coefficient_mu 0.691 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6408 _exptl_absorpt_correction_T_max 0.7454 _exptl_absorpt_process_details 'Sadabs 2008/1 (Brucker 2008)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator 'multi-layer mirror' _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 50036 _diffrn_reflns_av_R_equivalents 0.0365 _diffrn_reflns_av_sigmaI/netI 0.0200 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -34 _diffrn_reflns_limit_k_max 35 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 1.44 _diffrn_reflns_theta_max 26.77 _reflns_number_total 6568 _reflns_number_gt 6006 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 ver. 2008.3 (Bruker AXS)' _computing_cell_refinement 'Saint+ ver. 7.53A (Bruker AXS)' _computing_data_reduction 'Saint+ ver. 7.53A (Bruker AXS)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'XP ver. 5.1 (Bruker AXS, 1998)' _computing_publication_material 'SHELXL-97 (Sheldrick, 2008)' _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^)+(0.0303P)^2^+1.8693P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6568 _refine_ls_number_parameters 346 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0303 _refine_ls_R_factor_gt 0.0268 _refine_ls_wR_factor_ref 0.0707 _refine_ls_wR_factor_gt 0.0685 _refine_ls_goodness_of_fit_ref 1.049 _refine_ls_restrained_S_all 1.049 _refine_ls_shift/su_max 0.002 _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 Ni1 Ni 0.322151(17) 0.114973(6) 0.027523(15) 0.01251(6) Uani 1 1 d . . . H1 H 0.4029(17) 0.0787(6) 0.1068(14) 0.019 Uiso 1 1 d . . . Si1 Si 0.36160(4) 0.124468(12) 0.22343(3) 0.01274(8) Uani 1 1 d . . . C1_1 C 0.28205(15) 0.17926(5) 0.27767(13) 0.0177(3) Uani 1 1 d . . . H1A_1 H 0.3059 0.1795 0.3661 0.027 Uiso 1 1 calc R . . H1B_1 H 0.1798 0.1786 0.2457 0.027 Uiso 1 1 calc R . . H1C_1 H 0.3197 0.2078 0.2489 0.027 Uiso 1 1 calc R . . C1_2 C 0.28927(14) 0.07446(5) 0.30144(12) 0.0152(3) Uani 1 1 d . . . C2_2 C 0.36003(17) 0.03129(5) 0.32376(15) 0.0257(3) Uani 1 1 d . . . H2_2 H 0.4454 0.0275 0.3012 0.031 Uiso 1 1 calc R . . C3_2 C 0.30930(18) -0.00626(5) 0.37785(15) 0.0290(4) Uani 1 1 d . . . H3_2 H 0.3609 -0.0349 0.3933 0.035 Uiso 1 1 calc R . . C4_2 C 0.18391(17) -0.00208(5) 0.40938(14) 0.0240(3) Uani 1 1 d . . . H4_2 H 0.1480 -0.0280 0.4447 0.029 Uiso 1 1 calc R . . C5_2 C 0.11136(16) 0.04009(5) 0.38908(14) 0.0242(3) Uani 1 1 d . . . H5_2 H 0.0252 0.0434 0.4107 0.029 Uiso 1 1 calc R . . C6_2 C 0.16451(14) 0.07782(5) 0.33691(13) 0.0202(3) Uani 1 1 d . . . H6_2 H 0.1143 0.1068 0.3250 0.024 Uiso 1 1 calc R . . C1_3 C 0.55487(14) 0.12646(4) 0.31122(12) 0.0149(3) Uani 1 1 d . . . C2_3 C 0.59616(16) 0.12439(5) 0.43710(13) 0.0203(3) Uani 1 1 d . . . H2_3 H 0.5262 0.1237 0.4804 0.024 Uiso 1 1 calc R . . C3_3 C 0.73694(17) 0.12322(5) 0.50121(14) 0.0235(3) Uani 1 1 d . . . H3_3 H 0.7619 0.1215 0.5869 0.028 Uiso 1 1 calc R . . C4_3 C 0.84057(16) 0.12459(5) 0.43980(15) 0.0231(3) Uani 1 1 d . . . H4_3 H 0.9367 0.1236 0.4830 0.028 Uiso 1 1 calc R . . C5_3 C 0.80307(15) 0.12737(5) 0.31531(14) 0.0220(3) Uani 1 1 d . . . H5_3 H 0.8737 0.1288 0.2728 0.026 Uiso 1 1 calc R . . C6_3 C 0.66185(15) 0.12801(5) 0.25184(13) 0.0183(3) Uani 1 1 d . . . H6_3 H 0.6377 0.1295 0.1661 0.022 Uiso 1 1 calc R . . C1_4 C 0.23905(14) 0.17436(5) -0.01640(12) 0.0144(3) Uani 1 1 d . . . N2_4 N 0.10167(12) 0.18659(4) -0.03266(11) 0.0177(2) Uani 1 1 d . . . C3_4 C 0.08004(16) 0.23433(5) -0.05684(14) 0.0248(3) Uani 1 1 d . . . H3_4 H -0.0069 0.2507 -0.0718 0.030 Uiso 1 1 calc R . . C4_4 C 0.20534(16) 0.25312(5) -0.05502(14) 0.0243(3) Uani 1 1 d . . . H4_4 H 0.2244 0.2853 -0.0679 0.029 Uiso 1 1 calc R . . N5_4 N 0.30172(12) 0.21639(4) -0.03071(11) 0.0170(2) Uani 1 1 d . . . C6_4 C -0.00727(15) 0.15096(5) -0.03448(13) 0.0220(3) Uani 1 1 d . . . H6_4 H 0.0379 0.1239 0.0175 0.026 Uiso 1 1 calc R . . C7_4 C -0.06502(18) 0.13226(7) -0.16217(15) 0.0324(4) Uani 1 1 d . . . H7A_4 H -0.1118 0.1579 -0.2148 0.049 Uiso 1 1 calc R . . H7B_4 H -0.1326 0.1069 -0.1617 0.049 Uiso 1 1 calc R . . H7C_4 H 0.0122 0.1198 -0.1923 0.049 Uiso 1 1 calc R . . C8_4 C -0.12199(17) 0.17054(7) 0.01804(16) 0.0331(4) Uani 1 1 d . . . H8A_4 H -0.0796 0.1844 0.0975 0.050 Uiso 1 1 calc R . . H8B_4 H -0.1857 0.1450 0.0264 0.050 Uiso 1 1 calc R . . H8C_4 H -0.1746 0.1949 -0.0359 0.050 Uiso 1 1 calc R . . C9_4 C 0.45322(15) 0.22172(5) -0.01559(13) 0.0200(3) Uani 1 1 d . . . H9_4 H 0.4942 0.1894 -0.0152 0.024 Uiso 1 1 calc R . . C10_4 C 0.52320(17) 0.24501(6) 0.10451(15) 0.0296(4) Uani 1 1 d . . . H10A_4 H 0.4833 0.2766 0.1074 0.044 Uiso 1 1 calc R . . H10B_4 H 0.6243 0.2477 0.1129 0.044 Uiso 1 1 calc R . . H10C_4 H 0.5072 0.2257 0.1707 0.044 Uiso 1 1 calc R . . C11_4 C 0.48245(18) 0.24888(5) -0.12105(15) 0.0282(3) Uani 1 1 d . . . H11A_4 H 0.4325 0.2339 -0.1971 0.042 Uiso 1 1 calc R . . H11B_4 H 0.5835 0.2487 -0.1142 0.042 Uiso 1 1 calc R . . H11C_4 H 0.4502 0.2816 -0.1196 0.042 Uiso 1 1 calc R . . C1_5 C 0.30414(14) 0.07588(5) -0.11532(12) 0.0153(3) Uani 1 1 d . . . N2_5 N 0.26834(12) 0.02925(4) -0.12609(11) 0.0173(2) Uani 1 1 d . . . C3_5 C 0.27937(16) 0.01055(5) -0.23490(13) 0.0225(3) Uani 1 1 d . . . H3_5 H 0.2607 -0.0211 -0.2617 0.027 Uiso 1 1 calc R . . C4_5 C 0.32158(16) 0.04600(5) -0.29512(13) 0.0227(3) Uani 1 1 d . . . H4_5 H 0.3390 0.0442 -0.3727 0.027 Uiso 1 1 calc R . . N5_5 N 0.33479(12) 0.08559(4) -0.22207(10) 0.0173(2) Uani 1 1 d . . . C6_5 C 0.22597(15) 0.00193(5) -0.03220(13) 0.0195(3) Uani 1 1 d . . . H6_5 H 0.2031 0.0248 0.0263 0.023 Uiso 1 1 calc R . . C7_5 C 0.34535(17) -0.02923(6) 0.03646(15) 0.0270(3) Uani 1 1 d . . . H7A_5 H 0.3706 -0.0517 -0.0194 0.040 Uiso 1 1 calc R . . H7B_5 H 0.3158 -0.0466 0.0996 0.040 Uiso 1 1 calc R . . H7C_5 H 0.4269 -0.0095 0.0735 0.040 Uiso 1 1 calc R . . C8_5 C 0.09406(17) -0.02668(6) -0.08816(15) 0.0277(3) Uani 1 1 d . . . H8A_5 H 0.0213 -0.0057 -0.1355 0.042 Uiso 1 1 calc R . . H8B_5 H 0.0602 -0.0416 -0.0240 0.042 Uiso 1 1 calc R . . H8C_5 H 0.1159 -0.0512 -0.1409 0.042 Uiso 1 1 calc R . . C9_5 C 0.37664(15) 0.13243(5) -0.25430(13) 0.0185(3) Uani 1 1 d . . . H9_5 H 0.3602 0.1554 -0.1931 0.022 Uiso 1 1 calc R . . C10_5 C 0.53270(16) 0.13326(6) -0.24766(14) 0.0253(3) Uani 1 1 d . . . H10A_5 H 0.5868 0.1268 -0.1646 0.038 Uiso 1 1 calc R . . H10B_5 H 0.5583 0.1645 -0.2724 0.038 Uiso 1 1 calc R . . H10C_5 H 0.5534 0.1091 -0.3017 0.038 Uiso 1 1 calc R . . C11_5 C 0.28618(18) 0.14772(6) -0.37726(14) 0.0284(3) Uani 1 1 d . . . H11A_5 H 0.3011 0.1260 -0.4394 0.043 Uiso 1 1 calc R . . H11B_5 H 0.3121 0.1799 -0.3949 0.043 Uiso 1 1 calc R . . H11C_5 H 0.1871 0.1471 -0.3766 0.043 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 Ni1 0.01471(9) 0.01166(9) 0.01155(9) -0.00064(6) 0.00412(7) 0.00009(6) Si1 0.01353(17) 0.01259(17) 0.01237(17) -0.00036(13) 0.00382(14) 0.00110(13) C1_1 0.0203(7) 0.0164(6) 0.0172(7) -0.0016(5) 0.0061(5) 0.0023(5) C1_2 0.0170(6) 0.0160(6) 0.0127(6) -0.0017(5) 0.0039(5) -0.0012(5) C2_2 0.0276(8) 0.0210(7) 0.0347(9) 0.0045(6) 0.0192(7) 0.0054(6) C3_2 0.0381(9) 0.0174(7) 0.0372(9) 0.0061(6) 0.0203(8) 0.0068(6) C4_2 0.0315(8) 0.0203(7) 0.0228(7) 0.0016(6) 0.0116(6) -0.0056(6) C5_2 0.0194(7) 0.0271(8) 0.0289(8) 0.0004(6) 0.0111(6) -0.0031(6) C6_2 0.0156(7) 0.0199(7) 0.0248(7) 0.0007(6) 0.0047(6) 0.0014(5) C1_3 0.0159(6) 0.0116(6) 0.0170(7) 0.0000(5) 0.0039(5) 0.0003(5) C2_3 0.0197(7) 0.0215(7) 0.0192(7) 0.0017(6) 0.0042(6) -0.0020(5) C3_3 0.0255(8) 0.0212(7) 0.0192(7) 0.0030(6) -0.0021(6) -0.0021(6) C4_3 0.0171(7) 0.0151(6) 0.0325(8) -0.0009(6) -0.0021(6) 0.0008(5) C5_3 0.0155(7) 0.0198(7) 0.0318(8) -0.0038(6) 0.0080(6) 0.0009(5) C6_3 0.0185(7) 0.0170(6) 0.0195(7) -0.0021(5) 0.0052(6) 0.0008(5) C1_4 0.0163(6) 0.0162(6) 0.0105(6) 0.0004(5) 0.0033(5) -0.0010(5) N2_4 0.0159(6) 0.0187(6) 0.0178(6) 0.0037(5) 0.0030(5) 0.0009(5) C3_4 0.0231(8) 0.0219(7) 0.0287(8) 0.0074(6) 0.0058(6) 0.0080(6) C4_4 0.0279(8) 0.0156(7) 0.0291(8) 0.0061(6) 0.0070(6) 0.0050(6) N5_4 0.0183(6) 0.0138(5) 0.0187(6) 0.0018(4) 0.0047(5) -0.0001(4) C6_4 0.0157(7) 0.0268(7) 0.0224(7) 0.0048(6) 0.0033(6) -0.0023(6) C7_4 0.0264(8) 0.0408(10) 0.0286(9) -0.0050(7) 0.0046(7) -0.0094(7) C8_4 0.0224(8) 0.0459(10) 0.0333(9) 0.0027(8) 0.0114(7) -0.0033(7) C9_4 0.0192(7) 0.0153(6) 0.0267(8) 0.0008(6) 0.0081(6) -0.0027(5) C10_4 0.0249(8) 0.0299(8) 0.0334(9) -0.0053(7) 0.0064(7) -0.0097(7) C11_4 0.0334(9) 0.0217(7) 0.0348(9) 0.0042(7) 0.0180(7) -0.0018(6) C1_5 0.0131(6) 0.0167(6) 0.0155(6) 0.0000(5) 0.0027(5) 0.0016(5) N2_5 0.0190(6) 0.0161(5) 0.0174(6) -0.0030(4) 0.0057(5) -0.0011(4) C3_5 0.0258(8) 0.0209(7) 0.0213(7) -0.0081(6) 0.0071(6) -0.0012(6) C4_5 0.0271(8) 0.0245(7) 0.0172(7) -0.0066(6) 0.0070(6) 0.0004(6) N5_5 0.0196(6) 0.0176(6) 0.0153(6) -0.0020(5) 0.0054(5) 0.0005(5) C6_5 0.0217(7) 0.0165(6) 0.0219(7) -0.0016(5) 0.0085(6) -0.0026(5) C7_5 0.0287(8) 0.0225(7) 0.0306(9) 0.0037(6) 0.0094(7) 0.0021(6) C8_5 0.0274(8) 0.0257(8) 0.0317(9) -0.0068(7) 0.0108(7) -0.0075(6) C9_5 0.0228(7) 0.0187(7) 0.0152(7) 0.0007(5) 0.0070(5) 0.0010(5) C10_5 0.0239(8) 0.0261(8) 0.0271(8) 0.0031(6) 0.0088(6) -0.0002(6) C11_5 0.0321(9) 0.0296(8) 0.0215(8) 0.0056(6) 0.0033(6) 0.0047(7) _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 Ni1 C1_4 1.8799(13) . ? Ni1 C1_5 1.9460(13) . ? Ni1 Si1 2.1946(4) . ? Ni1 H1 1.462(16) . ? Si1 C1_2 1.9093(14) . ? Si1 C1_3 1.9118(14) . ? Si1 C1_1 1.9134(14) . ? Si1 H1 1.979(16) . ? C1_1 H1A_1 0.9800 . ? C1_1 H1B_1 0.9800 . ? C1_1 H1C_1 0.9800 . ? C1_2 C2_2 1.397(2) . ? C1_2 C6_2 1.3973(19) . ? C2_2 C3_2 1.388(2) . ? C2_2 H2_2 0.9500 . ? C3_2 C4_2 1.382(2) . ? C3_2 H3_2 0.9500 . ? C4_2 C5_2 1.379(2) . ? C4_2 H4_2 0.9500 . ? C5_2 C6_2 1.392(2) . ? C5_2 H5_2 0.9500 . ? C6_2 H6_2 0.9500 . ? C1_3 C2_3 1.395(2) . ? C1_3 C6_3 1.399(2) . ? C2_3 C3_3 1.393(2) . ? C2_3 H2_3 0.9500 . ? C3_3 C4_3 1.386(2) . ? C3_3 H3_3 0.9500 . ? C4_3 C5_3 1.381(2) . ? C4_3 H4_3 0.9500 . ? C5_3 C6_3 1.394(2) . ? C5_3 H5_3 0.9500 . ? C6_3 H6_3 0.9500 . ? C1_4 N2_4 1.3645(18) . ? C1_4 N5_4 1.3698(17) . ? N2_4 C3_4 1.3840(18) . ? N2_4 C6_4 1.4701(18) . ? C3_4 C4_4 1.341(2) . ? C3_4 H3_4 0.9500 . ? C4_4 N5_4 1.3873(18) . ? C4_4 H4_4 0.9500 . ? N5_4 C9_4 1.4677(18) . ? C6_4 C8_4 1.519(2) . ? C6_4 C7_4 1.521(2) . ? C6_4 H6_4 1.0000 . ? C7_4 H7A_4 0.9800 . ? C7_4 H7B_4 0.9800 . ? C7_4 H7C_4 0.9800 . ? C8_4 H8A_4 0.9800 . ? C8_4 H8B_4 0.9800 . ? C8_4 H8C_4 0.9800 . ? C9_4 C10_4 1.521(2) . ? C9_4 C11_4 1.523(2) . ? C9_4 H9_4 1.0000 . ? C10_4 H10A_4 0.9800 . ? C10_4 H10B_4 0.9800 . ? C10_4 H10C_4 0.9800 . ? C11_4 H11A_4 0.9800 . ? C11_4 H11B_4 0.9800 . ? C11_4 H11C_4 0.9800 . ? C1_5 N2_5 1.3630(17) . ? C1_5 N5_5 1.3636(18) . ? N2_5 C3_5 1.3857(18) . ? N2_5 C6_5 1.4721(18) . ? C3_5 C4_5 1.344(2) . ? C3_5 H3_5 0.9500 . ? C4_5 N5_5 1.3843(18) . ? C4_5 H4_5 0.9500 . ? N5_5 C9_5 1.4640(18) . ? C6_5 C7_5 1.517(2) . ? C6_5 C8_5 1.525(2) . ? C6_5 H6_5 1.0000 . ? C7_5 H7A_5 0.9800 . ? C7_5 H7B_5 0.9800 . ? C7_5 H7C_5 0.9800 . ? C8_5 H8A_5 0.9800 . ? C8_5 H8B_5 0.9800 . ? C8_5 H8C_5 0.9800 . ? C9_5 C11_5 1.522(2) . ? C9_5 C10_5 1.523(2) . ? C9_5 H9_5 1.0000 . ? C10_5 H10A_5 0.9800 . ? C10_5 H10B_5 0.9800 . ? C10_5 H10C_5 0.9800 . ? C11_5 H11A_5 0.9800 . ? C11_5 H11B_5 0.9800 . ? C11_5 H11C_5 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 C1_4 Ni1 C1_5 110.16(6) . . ? C1_4 Ni1 Si1 96.52(4) . . ? C1_5 Ni1 Si1 152.18(4) . . ? C1_4 Ni1 H1 157.4(6) . . ? C1_5 Ni1 H1 92.3(6) . . ? Si1 Ni1 H1 61.7(6) . . ? C1_2 Si1 C1_3 102.64(6) . . ? C1_2 Si1 C1_1 102.28(6) . . ? C1_3 Si1 C1_1 104.04(6) . . ? C1_2 Si1 Ni1 113.63(4) . . ? C1_3 Si1 Ni1 115.41(4) . . ? C1_1 Si1 Ni1 116.99(5) . . ? C1_2 Si1 H1 90.0(5) . . ? C1_3 Si1 H1 91.3(5) . . ? C1_1 Si1 H1 157.5(5) . . ? Ni1 Si1 H1 40.6(5) . . ? Si1 C1_1 H1A_1 109.5 . . ? Si1 C1_1 H1B_1 109.5 . . ? H1A_1 C1_1 H1B_1 109.5 . . ? Si1 C1_1 H1C_1 109.5 . . ? H1A_1 C1_1 H1C_1 109.5 . . ? H1B_1 C1_1 H1C_1 109.5 . . ? C2_2 C1_2 C6_2 116.28(13) . . ? C2_2 C1_2 Si1 120.23(10) . . ? C6_2 C1_2 Si1 123.48(10) . . ? C3_2 C2_2 C1_2 121.97(14) . . ? C3_2 C2_2 H2_2 119.0 . . ? C1_2 C2_2 H2_2 119.0 . . ? C4_2 C3_2 C2_2 120.23(14) . . ? C4_2 C3_2 H3_2 119.9 . . ? C2_2 C3_2 H3_2 119.9 . . ? C5_2 C4_2 C3_2 119.39(14) . . ? C5_2 C4_2 H4_2 120.3 . . ? C3_2 C4_2 H4_2 120.3 . . ? C4_2 C5_2 C6_2 119.90(14) . . ? C4_2 C5_2 H5_2 120.0 . . ? C6_2 C5_2 H5_2 120.0 . . ? C5_2 C6_2 C1_2 122.19(13) . . ? C5_2 C6_2 H6_2 118.9 . . ? C1_2 C6_2 H6_2 118.9 . . ? C2_3 C1_3 C6_3 116.82(13) . . ? C2_3 C1_3 Si1 121.72(11) . . ? C6_3 C1_3 Si1 121.40(11) . . ? C3_3 C2_3 C1_3 121.95(14) . . ? C3_3 C2_3 H2_3 119.0 . . ? C1_3 C2_3 H2_3 119.0 . . ? C4_3 C3_3 C2_3 119.88(14) . . ? C4_3 C3_3 H3_3 120.1 . . ? C2_3 C3_3 H3_3 120.1 . . ? C5_3 C4_3 C3_3 119.53(14) . . ? C5_3 C4_3 H4_3 120.2 . . ? C3_3 C4_3 H4_3 120.2 . . ? C4_3 C5_3 C6_3 120.17(14) . . ? C4_3 C5_3 H5_3 119.9 . . ? C6_3 C5_3 H5_3 119.9 . . ? C5_3 C6_3 C1_3 121.63(14) . . ? C5_3 C6_3 H6_3 119.2 . . ? C1_3 C6_3 H6_3 119.2 . . ? N2_4 C1_4 N5_4 103.14(11) . . ? N2_4 C1_4 Ni1 127.73(10) . . ? N5_4 C1_4 Ni1 128.96(10) . . ? C1_4 N2_4 C3_4 111.76(12) . . ? C1_4 N2_4 C6_4 121.69(12) . . ? C3_4 N2_4 C6_4 126.32(12) . . ? C4_4 C3_4 N2_4 106.87(13) . . ? C4_4 C3_4 H3_4 126.6 . . ? N2_4 C3_4 H3_4 126.6 . . ? C3_4 C4_4 N5_4 106.70(13) . . ? C3_4 C4_4 H4_4 126.6 . . ? N5_4 C4_4 H4_4 126.6 . . ? C1_4 N5_4 C4_4 111.52(12) . . ? C1_4 N5_4 C9_4 123.59(11) . . ? C4_4 N5_4 C9_4 124.82(12) . . ? N2_4 C6_4 C8_4 111.26(13) . . ? N2_4 C6_4 C7_4 109.95(12) . . ? C8_4 C6_4 C7_4 112.18(13) . . ? N2_4 C6_4 H6_4 107.8 . . ? C8_4 C6_4 H6_4 107.8 . . ? C7_4 C6_4 H6_4 107.8 . . ? C6_4 C7_4 H7A_4 109.5 . . ? C6_4 C7_4 H7B_4 109.5 . . ? H7A_4 C7_4 H7B_4 109.5 . . ? C6_4 C7_4 H7C_4 109.5 . . ? H7A_4 C7_4 H7C_4 109.5 . . ? H7B_4 C7_4 H7C_4 109.5 . . ? C6_4 C8_4 H8A_4 109.5 . . ? C6_4 C8_4 H8B_4 109.5 . . ? H8A_4 C8_4 H8B_4 109.5 . . ? C6_4 C8_4 H8C_4 109.5 . . ? H8A_4 C8_4 H8C_4 109.5 . . ? H8B_4 C8_4 H8C_4 109.5 . . ? N5_4 C9_4 C10_4 111.09(12) . . ? N5_4 C9_4 C11_4 110.87(12) . . ? C10_4 C9_4 C11_4 111.43(12) . . ? N5_4 C9_4 H9_4 107.8 . . ? C10_4 C9_4 H9_4 107.8 . . ? C11_4 C9_4 H9_4 107.8 . . ? C9_4 C10_4 H10A_4 109.5 . . ? C9_4 C10_4 H10B_4 109.5 . . ? H10A_4 C10_4 H10B_4 109.5 . . ? C9_4 C10_4 H10C_4 109.5 . . ? H10A_4 C10_4 H10C_4 109.5 . . ? H10B_4 C10_4 H10C_4 109.5 . . ? C9_4 C11_4 H11A_4 109.5 . . ? C9_4 C11_4 H11B_4 109.5 . . ? H11A_4 C11_4 H11B_4 109.5 . . ? C9_4 C11_4 H11C_4 109.5 . . ? H11A_4 C11_4 H11C_4 109.5 . . ? H11B_4 C11_4 H11C_4 109.5 . . ? N2_5 C1_5 N5_5 103.09(11) . . ? N2_5 C1_5 Ni1 126.22(10) . . ? N5_5 C1_5 Ni1 130.44(10) . . ? C1_5 N2_5 C3_5 111.82(12) . . ? C1_5 N2_5 C6_5 123.94(11) . . ? C3_5 N2_5 C6_5 124.23(12) . . ? C4_5 C3_5 N2_5 106.60(13) . . ? C4_5 C3_5 H3_5 126.7 . . ? N2_5 C3_5 H3_5 126.7 . . ? C3_5 C4_5 N5_5 106.59(13) . . ? C3_5 C4_5 H4_5 126.7 . . ? N5_5 C4_5 H4_5 126.7 . . ? C1_5 N5_5 C4_5 111.88(12) . . ? C1_5 N5_5 C9_5 123.52(11) . . ? C4_5 N5_5 C9_5 124.60(12) . . ? N2_5 C6_5 C7_5 110.75(12) . . ? N2_5 C6_5 C8_5 110.18(12) . . ? C7_5 C6_5 C8_5 111.86(13) . . ? N2_5 C6_5 H6_5 108.0 . . ? C7_5 C6_5 H6_5 108.0 . . ? C8_5 C6_5 H6_5 108.0 . . ? C6_5 C7_5 H7A_5 109.5 . . ? C6_5 C7_5 H7B_5 109.5 . . ? H7A_5 C7_5 H7B_5 109.5 . . ? C6_5 C7_5 H7C_5 109.5 . . ? H7A_5 C7_5 H7C_5 109.5 . . ? H7B_5 C7_5 H7C_5 109.5 . . ? C6_5 C8_5 H8A_5 109.5 . . ? C6_5 C8_5 H8B_5 109.5 . . ? H8A_5 C8_5 H8B_5 109.5 . . ? C6_5 C8_5 H8C_5 109.5 . . ? H8A_5 C8_5 H8C_5 109.5 . . ? H8B_5 C8_5 H8C_5 109.5 . . ? N5_5 C9_5 C11_5 110.80(12) . . ? N5_5 C9_5 C10_5 110.47(12) . . ? C11_5 C9_5 C10_5 112.55(13) . . ? N5_5 C9_5 H9_5 107.6 . . ? C11_5 C9_5 H9_5 107.6 . . ? C10_5 C9_5 H9_5 107.6 . . ? C9_5 C10_5 H10A_5 109.5 . . ? C9_5 C10_5 H10B_5 109.5 . . ? H10A_5 C10_5 H10B_5 109.5 . . ? C9_5 C10_5 H10C_5 109.5 . . ? H10A_5 C10_5 H10C_5 109.5 . . ? H10B_5 C10_5 H10C_5 109.5 . . ? C9_5 C11_5 H11A_5 109.5 . . ? C9_5 C11_5 H11B_5 109.5 . . ? H11A_5 C11_5 H11B_5 109.5 . . ? C9_5 C11_5 H11C_5 109.5 . . ? H11A_5 C11_5 H11C_5 109.5 . . ? H11B_5 C11_5 H11C_5 109.5 . . ? 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 C1_4 Ni1 Si1 C1_2 127.34(6) . . . . ? C1_5 Ni1 Si1 C1_2 -36.34(10) . . . . ? C1_4 Ni1 Si1 C1_3 -114.48(6) . . . . ? C1_5 Ni1 Si1 C1_3 81.85(10) . . . . ? C1_4 Ni1 Si1 C1_1 8.44(7) . . . . ? C1_5 Ni1 Si1 C1_1 -155.24(10) . . . . ? C1_3 Si1 C1_2 C2_2 -48.05(13) . . . . ? C1_1 Si1 C1_2 C2_2 -155.71(12) . . . . ? Ni1 Si1 C1_2 C2_2 77.27(12) . . . . ? C1_3 Si1 C1_2 C6_2 133.30(12) . . . . ? C1_1 Si1 C1_2 C6_2 25.64(13) . . . . ? Ni1 Si1 C1_2 C6_2 -101.38(12) . . . . ? C6_2 C1_2 C2_2 C3_2 0.2(2) . . . . ? Si1 C1_2 C2_2 C3_2 -178.58(13) . . . . ? C1_2 C2_2 C3_2 C4_2 1.3(3) . . . . ? C2_2 C3_2 C4_2 C5_2 -1.5(3) . . . . ? C3_2 C4_2 C5_2 C6_2 0.2(2) . . . . ? C4_2 C5_2 C6_2 C1_2 1.3(2) . . . . ? C2_2 C1_2 C6_2 C5_2 -1.4(2) . . . . ? Si1 C1_2 C6_2 C5_2 177.26(12) . . . . ? C1_2 Si1 C1_3 C2_3 -44.98(12) . . . . ? C1_1 Si1 C1_3 C2_3 61.32(12) . . . . ? Ni1 Si1 C1_3 C2_3 -169.13(10) . . . . ? C1_2 Si1 C1_3 C6_3 132.21(11) . . . . ? C1_1 Si1 C1_3 C6_3 -121.49(11) . . . . ? Ni1 Si1 C1_3 C6_3 8.05(12) . . . . ? C6_3 C1_3 C2_3 C3_3 -0.9(2) . . . . ? Si1 C1_3 C2_3 C3_3 176.42(11) . . . . ? C1_3 C2_3 C3_3 C4_3 0.6(2) . . . . ? C2_3 C3_3 C4_3 C5_3 0.4(2) . . . . ? C3_3 C4_3 C5_3 C6_3 -1.0(2) . . . . ? C4_3 C5_3 C6_3 C1_3 0.8(2) . . . . ? C2_3 C1_3 C6_3 C5_3 0.2(2) . . . . ? Si1 C1_3 C6_3 C5_3 -177.13(11) . . . . ? C1_5 Ni1 C1_4 N2_4 86.05(13) . . . . ? Si1 Ni1 C1_4 N2_4 -85.92(12) . . . . ? C1_5 Ni1 C1_4 N5_4 -99.51(13) . . . . ? Si1 Ni1 C1_4 N5_4 88.52(12) . . . . ? N5_4 C1_4 N2_4 C3_4 0.35(15) . . . . ? Ni1 C1_4 N2_4 C3_4 175.91(11) . . . . ? N5_4 C1_4 N2_4 C6_4 175.10(12) . . . . ? Ni1 C1_4 N2_4 C6_4 -9.34(19) . . . . ? C1_4 N2_4 C3_4 C4_4 -0.55(17) . . . . ? C6_4 N2_4 C3_4 C4_4 -175.01(14) . . . . ? N2_4 C3_4 C4_4 N5_4 0.50(17) . . . . ? N2_4 C1_4 N5_4 C4_4 -0.02(15) . . . . ? Ni1 C1_4 N5_4 C4_4 -175.51(11) . . . . ? N2_4 C1_4 N5_4 C9_4 176.99(12) . . . . ? Ni1 C1_4 N5_4 C9_4 1.5(2) . . . . ? C3_4 C4_4 N5_4 C1_4 -0.31(17) . . . . ? C3_4 C4_4 N5_4 C9_4 -177.28(13) . . . . ? C1_4 N2_4 C6_4 C8_4 146.98(13) . . . . ? C3_4 N2_4 C6_4 C8_4 -39.1(2) . . . . ? C1_4 N2_4 C6_4 C7_4 -88.12(16) . . . . ? C3_4 N2_4 C6_4 C7_4 85.83(18) . . . . ? C1_4 N5_4 C9_4 C10_4 -103.48(15) . . . . ? C4_4 N5_4 C9_4 C10_4 73.13(18) . . . . ? C1_4 N5_4 C9_4 C11_4 132.04(14) . . . . ? C4_4 N5_4 C9_4 C11_4 -51.35(18) . . . . ? C1_4 Ni1 C1_5 N2_5 -136.84(11) . . . . ? Si1 Ni1 C1_5 N2_5 25.85(18) . . . . ? C1_4 Ni1 C1_5 N5_5 49.86(14) . . . . ? Si1 Ni1 C1_5 N5_5 -147.45(9) . . . . ? N5_5 C1_5 N2_5 C3_5 1.21(15) . . . . ? Ni1 C1_5 N2_5 C3_5 -173.55(10) . . . . ? N5_5 C1_5 N2_5 C6_5 -179.97(12) . . . . ? Ni1 C1_5 N2_5 C6_5 5.26(19) . . . . ? C1_5 N2_5 C3_5 C4_5 -0.62(17) . . . . ? C6_5 N2_5 C3_5 C4_5 -179.43(13) . . . . ? N2_5 C3_5 C4_5 N5_5 -0.26(16) . . . . ? N2_5 C1_5 N5_5 C4_5 -1.39(15) . . . . ? Ni1 C1_5 N5_5 C4_5 173.07(11) . . . . ? N2_5 C1_5 N5_5 C9_5 178.67(12) . . . . ? Ni1 C1_5 N5_5 C9_5 -6.9(2) . . . . ? C3_5 C4_5 N5_5 C1_5 1.07(17) . . . . ? C3_5 C4_5 N5_5 C9_5 -178.99(13) . . . . ? C1_5 N2_5 C6_5 C7_5 -102.63(15) . . . . ? C3_5 N2_5 C6_5 C7_5 76.04(17) . . . . ? C1_5 N2_5 C6_5 C8_5 133.08(14) . . . . ? C3_5 N2_5 C6_5 C8_5 -48.25(18) . . . . ? C1_5 N5_5 C9_5 C11_5 -127.94(14) . . . . ? C4_5 N5_5 C9_5 C11_5 52.12(18) . . . . ? C1_5 N5_5 C9_5 C10_5 106.63(15) . . . . ? C4_5 N5_5 C9_5 C10_5 -73.31(17) . . . . ? _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.819 _refine_diff_density_min -0.268 _refine_diff_density_rms 0.047 #===END _chemical_name_common (iPr2Im)1(SiMePh2)(H)Ni(ii)