#------------------------------------------------------------------------------ #$Date: 2025-08-20 14:06:16 +0100 (Wed, 20 Aug 2025) $ #$Revision: 301830 $ #$URL: svn://www.crystallography.net/cod/cif/4/07/57/4075714.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4075714 loop_ _publ_author_name 'Tang, Yongjun' 'Zakharov, Lev N.' 'Rheingold, Arnold L.' 'Kemp, Richard A.' _publ_section_title ; Synthesis and Structural Characterization of Magnesium Amide Complexes Containing −N[(R)(SiMe3)] Ligands ; _journal_issue 5 _journal_name_full Organometallics _journal_page_first 836 _journal_paper_doi 10.1021/om049203c _journal_volume 24 _journal_year 2005 _chemical_formula_sum 'C36 H80 Mg2 N4 Si4' _chemical_formula_weight 730.02 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 87.909(2) _cell_angle_beta 77.606(2) _cell_angle_gamma 75.957(2) _cell_formula_units_Z 1 _cell_length_a 9.7033(9) _cell_length_b 10.2273(10) _cell_length_c 11.7211(11) _cell_measurement_reflns_used 4869 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 27.51 _cell_measurement_theta_min 2.53 _cell_volume 1101.97(18) _computing_cell_refinement 'Bruker SMART' _computing_data_collection 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.952 _diffrn_measured_fraction_theta_max 0.952 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0206 _diffrn_reflns_av_sigmaI/netI 0.0379 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_number 6948 _diffrn_reflns_theta_full 27.53 _diffrn_reflns_theta_max 27.53 _diffrn_reflns_theta_min 1.78 _exptl_absorpt_coefficient_mu 0.192 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.785 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details SADABS _exptl_crystal_colour Colorless _exptl_crystal_density_diffrn 1.100 _exptl_crystal_density_meas 0 _exptl_crystal_density_method 'not measured' _exptl_crystal_description Block _exptl_crystal_F_000 404 _exptl_crystal_size_max 0.42 _exptl_crystal_size_mid 0.33 _exptl_crystal_size_min 0.25 _refine_diff_density_max 2.042 _refine_diff_density_min -0.330 _refine_diff_density_rms 0.095 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.039 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 368 _refine_ls_number_reflns 4844 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.039 _refine_ls_R_factor_all 0.0633 _refine_ls_R_factor_gt 0.0584 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1029P)^2^+0.9600P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1572 _refine_ls_wR_factor_ref 0.1625 _reflns_number_gt 4328 _reflns_number_total 4844 _reflns_threshold_expression >2sigma(I) _cod_data_source_file om049203csi20041216_122428.cif _cod_data_source_block Compound_6 _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. '_exptl_absorpt_correction_type' value 'Multi-scan' changed to 'multi-scan' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana ; _cod_original_sg_symbol_H-M P-1 _cod_database_code 4075714 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' 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 Mg1 Mg -0.02297(7) 0.08110(6) 0.10620(6) 0.01407(18) Uani 1 1 d Si1 Si 0.20055(6) 0.16924(6) -0.12062(5) 0.01787(17) Uani 1 1 d Si2 Si 0.04150(6) 0.25133(6) 0.31587(5) 0.01838(17) Uani 1 1 d N1 N 0.04056(18) 0.11502(17) -0.07574(15) 0.0167(4) Uani 1 1 d N2 N -0.07191(19) 0.19248(17) 0.24988(15) 0.0170(4) Uani 1 1 d C1 C -0.0810(2) 0.2158(2) -0.11532(18) 0.0181(4) Uani 1 1 d C2 C -0.1506(3) 0.1496(2) -0.1951(2) 0.0234(5) Uani 1 1 d C3 C -0.2772(3) 0.2476(3) -0.2335(2) 0.0275(5) Uani 1 1 d C4 C -0.3915(2) 0.3153(2) -0.1284(2) 0.0256(5) Uani 1 1 d C5 C -0.3230(2) 0.3844(2) -0.0490(2) 0.0247(5) Uani 1 1 d C6 C -0.1964(2) 0.2850(2) -0.0123(2) 0.0232(5) Uani 1 1 d C7 C 0.3558(3) 0.0389(2) -0.0831(2) 0.0249(5) Uani 1 1 d C8 C 0.1842(3) 0.3343(2) -0.0484(2) 0.0266(5) Uani 1 1 d C9 C 0.2492(3) 0.1969(2) -0.2816(2) 0.0241(5) Uani 1 1 d C10 C -0.2300(2) 0.2202(2) 0.29415(18) 0.0180(4) Uani 1 1 d C11 C -0.3108(2) 0.3695(2) 0.3017(2) 0.0219(4) Uani 1 1 d C12 C -0.4760(3) 0.3869(2) 0.3317(2) 0.0271(5) Uani 1 1 d C13 C -0.5249(3) 0.3167(3) 0.4457(2) 0.0295(5) Uani 1 1 d C14 C -0.4416(3) 0.1690(2) 0.4418(2) 0.0287(5) Uani 1 1 d C15 C -0.2775(3) 0.1553(2) 0.4116(2) 0.0234(5) Uani 1 1 d C16 C 0.0304(3) 0.4372(3) 0.3018(3) 0.0361(6) Uani 1 1 d C17 C 0.2340(3) 0.1660(3) 0.2486(3) 0.0346(6) Uani 1 1 d C18 C 0.0237(4) 0.2216(4) 0.4764(3) 0.0457(8) Uani 1 1 d H1 H -0.037(3) 0.288(3) -0.164(2) 0.020(6) Uiso 1 1 d H2A H -0.076(4) 0.108(3) -0.267(3) 0.042(9) Uiso 1 1 d H2B H -0.189(3) 0.077(3) -0.149(3) 0.028(7) Uiso 1 1 d H3A H -0.317(3) 0.204(3) -0.281(3) 0.037(8) Uiso 1 1 d H3B H -0.239(4) 0.312(3) -0.286(3) 0.038(8) Uiso 1 1 d H4A H -0.437(4) 0.241(3) -0.086(3) 0.041(9) Uiso 1 1 d H4B H -0.479(3) 0.389(3) -0.152(3) 0.038(8) Uiso 1 1 d H5A H -0.395(4) 0.418(3) 0.024(3) 0.040(8) Uiso 1 1 d H5B H -0.283(4) 0.453(4) -0.095(3) 0.044(9) Uiso 1 1 d H6A H -0.234(3) 0.215(3) 0.037(3) 0.031(7) Uiso 1 1 d H6B H -0.151(3) 0.326(3) 0.040(3) 0.030(7) Uiso 1 1 d H7A H 0.441(4) 0.067(3) -0.114(3) 0.042(9) Uiso 1 1 d H7B H 0.365(3) -0.044(3) -0.124(3) 0.037(8) Uiso 1 1 d H7C H 0.344(4) 0.014(3) 0.000(3) 0.044(9) Uiso 1 1 d H8A H 0.118(4) 0.407(4) -0.083(3) 0.058(11) Uiso 1 1 d H8B H 0.277(4) 0.351(4) -0.068(3) 0.047(9) Uiso 1 1 d H8C H 0.133(4) 0.337(4) 0.039(3) 0.055(10) Uiso 1 1 d H9A H 0.273(4) 0.115(4) -0.326(3) 0.051(10) Uiso 1 1 d H9B H 0.336(4) 0.232(4) -0.289(3) 0.056(11) Uiso 1 1 d H9C H 0.180(4) 0.258(3) -0.310(3) 0.040(8) Uiso 1 1 d H10 H -0.274(3) 0.178(3) 0.240(2) 0.019(6) Uiso 1 1 d H11A H -0.286(3) 0.411(3) 0.364(3) 0.027(7) Uiso 1 1 d H11B H -0.280(3) 0.409(3) 0.225(3) 0.026(7) Uiso 1 1 d H12A H -0.508(4) 0.353(3) 0.264(3) 0.044(9) Uiso 1 1 d H12B H -0.525(3) 0.481(3) 0.337(3) 0.033(8) Uiso 1 1 d H13A H -0.625(4) 0.329(3) 0.456(3) 0.034(8) Uiso 1 1 d H13B H -0.511(3) 0.364(3) 0.509(3) 0.032(7) Uiso 1 1 d H14A H -0.470(3) 0.127(3) 0.521(3) 0.033(8) Uiso 1 1 d H14B H -0.467(4) 0.120(4) 0.384(3) 0.045(9) Uiso 1 1 d H15A H -0.251(3) 0.198(3) 0.467(3) 0.028(7) Uiso 1 1 d H15B H -0.230(3) 0.071(3) 0.406(2) 0.028(7) Uiso 1 1 d H16A H 0.112(5) 0.445(4) 0.329(3) 0.060(11) Uiso 1 1 d H16B H 0.042(4) 0.458(4) 0.221(4) 0.053(10) Uiso 1 1 d H16C H -0.059(4) 0.487(4) 0.349(3) 0.058(11) Uiso 1 1 d H17A H 0.254(6) 0.073(6) 0.270(5) 0.105(18) Uiso 1 1 d H17B H 0.295(4) 0.209(4) 0.276(3) 0.054(10) Uiso 1 1 d H17C H 0.251(4) 0.171(4) 0.169(3) 0.050(10) Uiso 1 1 d H18A H -0.065(4) 0.282(4) 0.528(3) 0.054(10) Uiso 1 1 d H18B H 0.030(4) 0.133(4) 0.488(3) 0.048(10) Uiso 1 1 d H18C H 0.106(4) 0.244(4) 0.502(3) 0.060(11) 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 Mg1 0.0180(4) 0.0105(3) 0.0137(3) -0.0008(2) -0.0033(2) -0.0032(2) Si1 0.0176(3) 0.0162(3) 0.0198(3) 0.0006(2) -0.0037(2) -0.0045(2) Si2 0.0242(3) 0.0159(3) 0.0171(3) -0.0006(2) -0.0065(2) -0.0068(2) N1 0.0166(8) 0.0137(8) 0.0194(8) 0.0006(6) -0.0048(6) -0.0017(6) N2 0.0198(8) 0.0146(8) 0.0164(8) -0.0016(6) -0.0040(6) -0.0036(6) C1 0.0182(10) 0.0150(9) 0.0208(10) 0.0039(7) -0.0057(8) -0.0027(7) C2 0.0251(11) 0.0193(10) 0.0248(11) -0.0028(8) -0.0101(9) 0.0013(8) C3 0.0266(12) 0.0306(12) 0.0251(12) -0.0025(9) -0.0136(9) 0.0013(9) C4 0.0208(11) 0.0228(11) 0.0329(12) 0.0035(9) -0.0086(9) -0.0024(9) C5 0.0211(11) 0.0193(11) 0.0293(12) -0.0043(9) -0.0047(9) 0.0038(8) C6 0.0211(10) 0.0210(11) 0.0245(11) -0.0034(8) -0.0057(8) 0.0021(8) C7 0.0208(11) 0.0227(11) 0.0320(12) 0.0020(9) -0.0082(9) -0.0042(8) C8 0.0287(12) 0.0208(11) 0.0332(13) -0.0005(9) -0.0082(10) -0.0100(9) C9 0.0232(11) 0.0257(12) 0.0201(11) 0.0015(8) 0.0002(8) -0.0042(9) C10 0.0219(10) 0.0158(9) 0.0158(9) -0.0015(7) -0.0036(7) -0.0039(8) C11 0.0240(11) 0.0160(10) 0.0231(11) 0.0008(8) -0.0023(8) -0.0023(8) C12 0.0238(11) 0.0236(12) 0.0298(12) 0.0001(9) -0.0031(9) -0.0002(9) C13 0.0251(12) 0.0262(12) 0.0312(13) -0.0039(9) 0.0045(9) -0.0036(9) C14 0.0293(12) 0.0239(12) 0.0285(12) 0.0008(9) 0.0052(9) -0.0078(9) C15 0.0288(12) 0.0174(11) 0.0207(11) 0.0020(8) -0.0011(9) -0.0034(9) C16 0.0379(15) 0.0210(12) 0.0528(18) -0.0018(11) -0.0116(13) -0.0116(10) C17 0.0261(12) 0.0339(14) 0.0462(17) -0.0129(12) -0.0120(11) -0.0058(10) C18 0.058(2) 0.070(2) 0.0252(14) 0.0093(13) -0.0194(13) -0.0387(18) 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' Mg Mg 0.0486 0.0363 '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' 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 N2 Mg1 N1 132.14(7) . 2 N2 Mg1 N1 135.29(7) . . N1 Mg1 N1 92.20(7) 2 . N2 Mg1 C10 29.92(7) . . N1 Mg1 C10 114.92(7) 2 . N1 Mg1 C10 135.71(7) . . N2 Mg1 C2 96.06(7) . 2 N1 Mg1 C2 58.46(7) 2 2 N1 Mg1 C2 115.87(7) . 2 C10 Mg1 C2 108.23(7) . 2 N2 Mg1 C6 92.70(7) . . N1 Mg1 C6 113.62(7) 2 . N1 Mg1 C6 58.06(6) . . C10 Mg1 C6 78.59(6) . . C2 Mg1 C6 170.98(7) 2 . N2 Mg1 Mg1 175.09(7) . 2 N1 Mg1 Mg1 46.46(5) 2 2 N1 Mg1 Mg1 45.74(5) . 2 C10 Mg1 Mg1 145.21(6) . 2 C2 Mg1 Mg1 86.65(5) 2 2 C6 Mg1 Mg1 84.46(5) . 2 N1 Si1 C7 109.30(10) . . N1 Si1 C9 113.97(10) . . C7 Si1 C9 106.82(11) . . N1 Si1 C8 110.51(10) . . C7 Si1 C8 110.07(11) . . C9 Si1 C8 106.05(11) . . N2 Si2 C17 109.12(10) . . N2 Si2 C18 116.55(11) . . C17 Si2 C18 105.08(16) . . N2 Si2 C16 115.62(11) . . C17 Si2 C16 105.54(14) . . C18 Si2 C16 103.91(16) . . C1 N1 Si1 108.52(13) . . C1 N1 Mg1 109.15(12) . 2 Si1 N1 Mg1 123.73(9) . 2 C1 N1 Mg1 109.39(12) . . Si1 N1 Mg1 116.47(9) . . Mg1 N1 Mg1 87.80(7) 2 . C10 N2 Si2 123.45(13) . . C10 N2 Mg1 108.06(12) . . Si2 N2 Mg1 128.49(10) . . N1 C1 C6 111.67(17) . . N1 C1 C2 111.33(16) . . C6 C1 C2 109.86(18) . . N1 C1 H1 108.2(15) . . C6 C1 H1 108.6(15) . . C2 C1 H1 107.1(15) . . C3 C2 C1 112.73(18) . . C3 C2 Mg1 162.70(17) . 2 C1 C2 Mg1 78.89(11) . 2 C3 C2 H2A 109.4(19) . . C1 C2 H2A 110.7(19) . . Mg1 C2 H2A 76.3(19) 2 . C3 C2 H2B 107.8(17) . . C1 C2 H2B 107.1(17) . . Mg1 C2 H2B 55.3(17) 2 . H2A C2 H2B 109(3) . . C2 C3 C4 111.22(19) . . C2 C3 H3A 111(2) . . C4 C3 H3A 111(2) . . C2 C3 H3B 108.5(19) . . C4 C3 H3B 112.5(19) . . H3A C3 H3B 102(3) . . C3 C4 C5 110.80(19) . . C3 C4 H4A 106.4(18) . . C5 C4 H4A 112.3(19) . . C3 C4 H4B 113.6(17) . . C5 C4 H4B 107.5(17) . . H4A C4 H4B 106(2) . . C6 C5 C4 110.84(18) . . C6 C5 H5A 106.6(19) . . C4 C5 H5A 110.5(19) . . C6 C5 H5B 107(2) . . C4 C5 H5B 107(2) . . H5A C5 H5B 115(3) . . C1 C6 C5 113.10(19) . . C1 C6 Mg1 79.64(11) . . C5 C6 Mg1 163.79(17) . . C1 C6 H6A 108.8(17) . . C5 C6 H6A 108.9(17) . . Mg1 C6 H6A 55.9(17) . . C1 C6 H6B 109.9(17) . . C5 C6 H6B 112.7(17) . . Mg1 C6 H6B 69.4(17) . . H6A C6 H6B 103(2) . . Si1 C7 H7A 107(2) . . Si1 C7 H7B 108.7(19) . . H7A C7 H7B 106(3) . . Si1 C7 H7C 115.4(19) . . H7A C7 H7C 114(3) . . H7B C7 H7C 105(3) . . Si1 C8 H8A 109(2) . . Si1 C8 H8B 106(2) . . H8A C8 H8B 108(3) . . Si1 C8 H8C 112(2) . . H8A C8 H8C 104(3) . . H8B C8 H8C 119(3) . . Si1 C9 H9A 112(2) . . Si1 C9 H9B 102(2) . . H9A C9 H9B 110(3) . . Si1 C9 H9C 115(2) . . H9A C9 H9C 109(3) . . H9B C9 H9C 110(3) . . N2 C10 C11 115.49(17) . . N2 C10 C15 114.76(18) . . C11 C10 C15 108.33(17) . . N2 C10 Mg1 42.02(9) . . C11 C10 Mg1 127.96(14) . . C15 C10 Mg1 123.68(14) . . N2 C10 H10 108.9(15) . . C11 C10 H10 105.1(15) . . C15 C10 H10 103.2(15) . . Mg1 C10 H10 66.9(15) . . C12 C11 C10 111.47(18) . . C12 C11 H11A 107.1(17) . . C10 C11 H11A 108.3(17) . . C12 C11 H11B 110.7(16) . . C10 C11 H11B 106.8(16) . . H11A C11 H11B 112(2) . . C13 C12 C11 111.6(2) . . C13 C12 H12A 112(2) . . C11 C12 H12A 109.4(19) . . C13 C12 H12B 109.9(18) . . C11 C12 H12B 110.8(18) . . H12A C12 H12B 103(3) . . C14 C13 C12 111.00(19) . . C14 C13 H13A 113.9(19) . . C12 C13 H13A 106.3(19) . . C14 C13 H13B 111.4(19) . . C12 C13 H13B 108.5(19) . . H13A C13 H13B 105(3) . . C13 C14 C15 111.2(2) . . C13 C14 H14A 109.2(17) . . C15 C14 H14A 109.5(17) . . C13 C14 H14B 110(2) . . C15 C14 H14B 109(2) . . H14A C14 H14B 108(3) . . C14 C15 C10 111.6(2) . . C14 C15 H15A 110.1(18) . . C10 C15 H15A 107.2(19) . . C14 C15 H15B 111.4(19) . . C10 C15 H15B 107.1(19) . . H15A C15 H15B 109(3) . . Si2 C16 H16A 102(2) . . Si2 C16 H16B 108(2) . . H16A C16 H16B 110(3) . . Si2 C16 H16C 110(2) . . H16A C16 H16C 113(3) . . H16B C16 H16C 114(3) . . Si2 C17 H17A 110(3) . . Si2 C17 H17B 108(2) . . H17A C17 H17B 110(4) . . Si2 C17 H17C 111(2) . . H17A C17 H17C 109(4) . . H17B C17 H17C 109(3) . . Si2 C18 H18A 115(2) . . Si2 C18 H18B 107(2) . . H18A C18 H18B 114(3) . . Si2 C18 H18C 110(2) . . H18A C18 H18C 104(3) . . H18B C18 H18C 108(3) . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Mg1 N2 1.9733(18) . Mg1 N1 2.1033(18) 2 Mg1 N1 2.1292(19) . Mg1 C10 2.803(2) . Mg1 C2 2.852(2) 2 Mg1 C6 2.863(2) . Mg1 Mg1 2.9349(13) 2 Si1 N1 1.7437(18) . Si1 C7 1.872(2) . Si1 C9 1.873(2) . Si1 C8 1.873(2) . Si2 N2 1.7007(18) . Si2 C17 1.871(3) . Si2 C18 1.872(3) . Si2 C16 1.881(3) . N1 C1 1.509(3) . N1 Mg1 2.1033(18) 2 N2 C10 1.470(3) . C1 C6 1.520(3) . C1 C2 1.526(3) . C1 H1 1.03(3) . C2 C3 1.524(3) . C2 Mg1 2.852(2) 2 C2 H2A 1.01(3) . C2 H2B 1.00(3) . C3 C4 1.526(3) . C3 H3A 0.93(3) . C3 H3B 0.97(3) . C4 C5 1.532(3) . C4 H4A 1.03(3) . C4 H4B 1.06(3) . C5 C6 1.522(3) . C5 H5A 0.99(3) . C5 H5B 0.98(4) . C6 H6A 1.00(3) . C6 H6B 0.99(3) . C7 H7A 0.93(3) . C7 H7B 0.97(3) . C7 H7C 0.99(3) . C8 H8A 0.99(4) . C8 H8B 0.93(4) . C8 H8C 1.04(4) . C9 H9A 0.96(4) . C9 H9B 0.98(4) . C9 H9C 0.91(3) . C10 C11 1.535(3) . C10 C15 1.535(3) . C10 H10 1.00(3) . C11 C12 1.533(3) . C11 H11A 0.96(3) . C11 H11B 0.99(3) . C12 C13 1.533(3) . C12 H12A 1.01(4) . C12 H12B 0.96(3) . C13 C14 1.527(3) . C13 H13A 0.93(3) . C13 H13B 0.95(3) . C14 C15 1.528(3) . C14 H14A 1.02(3) . C14 H14B 0.96(4) . C15 H15A 0.90(3) . C15 H15B 0.87(3) . C16 H16A 0.94(4) . C16 H16B 0.95(4) . C16 H16C 0.96(4) . C17 H17A 0.96(6) . C17 H17B 0.93(4) . C17 H17C 0.91(4) . C18 H18A 1.02(4) . C18 H18B 0.90(4) . C18 H18C 0.99(4) . 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_4 C7 Si1 N1 C1 -175.48(14) . . C9 Si1 N1 C1 -56.06(16) . . C8 Si1 N1 C1 63.24(16) . . C7 Si1 N1 Mg1 -45.72(14) . 2 C9 Si1 N1 Mg1 73.70(14) . 2 C8 Si1 N1 Mg1 -167.00(11) . 2 C7 Si1 N1 Mg1 60.60(13) . . C9 Si1 N1 Mg1 -179.98(10) . . C8 Si1 N1 Mg1 -60.68(13) . . N2 Mg1 N1 C1 -63.69(16) . . N1 Mg1 N1 C1 109.54(14) 2 . C10 Mg1 N1 C1 -20.49(17) . . C2 Mg1 N1 C1 165.26(12) 2 . C6 Mg1 N1 C1 -7.11(12) . . Mg1 Mg1 N1 C1 109.54(14) 2 . N2 Mg1 N1 Si1 59.78(14) . . N1 Mg1 N1 Si1 -126.99(12) 2 . C10 Mg1 N1 Si1 102.99(11) . . C2 Mg1 N1 Si1 -71.27(11) 2 . C6 Mg1 N1 Si1 116.36(12) . . Mg1 Mg1 N1 Si1 -126.99(12) 2 . N2 Mg1 N1 Mg1 -173.23(10) . 2 N1 Mg1 N1 Mg1 0.0 2 2 C10 Mg1 N1 Mg1 -130.03(9) . 2 C2 Mg1 N1 Mg1 55.72(8) 2 2 C6 Mg1 N1 Mg1 -116.65(9) . 2 C17 Si2 N2 C10 169.14(18) . . C18 Si2 N2 C10 50.4(2) . . C16 Si2 N2 C10 -72.1(2) . . C17 Si2 N2 Mg1 -11.42(18) . . C18 Si2 N2 Mg1 -130.16(18) . . C16 Si2 N2 Mg1 107.32(16) . . N1 Mg1 N2 C10 -64.34(16) 2 . N1 Mg1 N2 C10 106.53(14) . . C2 Mg1 N2 C10 -116.50(13) 2 . C6 Mg1 N2 C10 61.37(13) . . Mg1 Mg1 N2 C10 6.9(8) 2 . N1 Mg1 N2 Si2 116.15(13) 2 . N1 Mg1 N2 Si2 -72.99(16) . . C10 Mg1 N2 Si2 -179.5(2) . . C2 Mg1 N2 Si2 63.98(13) 2 . C6 Mg1 N2 Si2 -118.15(12) . . Mg1 Mg1 N2 Si2 -172.6(7) 2 . Si1 N1 C1 C6 -115.75(16) . . Mg1 N1 C1 C6 106.84(16) 2 . Mg1 N1 C1 C6 12.3(2) . . Si1 N1 C1 C2 121.05(16) . . Mg1 N1 C1 C2 -16.4(2) 2 . Mg1 N1 C1 C2 -110.90(16) . . N1 C1 C2 C3 178.10(18) . . C6 C1 C2 C3 53.9(3) . . N1 C1 C2 Mg1 11.54(14) . 2 C6 C1 C2 Mg1 -112.69(15) . 2 C1 C2 C3 C4 -55.4(3) . . Mg1 C2 C3 C4 74.6(6) 2 . C2 C3 C4 C5 55.1(3) . . C3 C4 C5 C6 -55.0(3) . . N1 C1 C6 C5 -178.26(18) . . C2 C1 C6 C5 -54.2(2) . . N1 C1 C6 Mg1 -8.73(14) . . C2 C1 C6 Mg1 115.29(15) . . C4 C5 C6 C1 55.6(3) . . C4 C5 C6 Mg1 -84.5(6) . . N2 Mg1 C6 C1 150.76(13) . . N1 Mg1 C6 C1 -70.33(13) 2 . N1 Mg1 C6 C1 6.77(11) . . C10 Mg1 C6 C1 177.28(13) . . C2 Mg1 C6 C1 -42.9(5) 2 . Mg1 Mg1 C6 C1 -33.25(11) 2 . N2 Mg1 C6 C5 -66.1(6) . . N1 Mg1 C6 C5 72.8(6) 2 . N1 Mg1 C6 C5 149.9(6) . . C10 Mg1 C6 C5 -39.5(6) . . C2 Mg1 C6 C5 100.3(7) 2 . Mg1 Mg1 C6 C5 109.9(6) 2 . Si2 N2 C10 C11 60.3(2) . . Mg1 N2 C10 C11 -119.27(16) . . Si2 N2 C10 C15 -66.9(2) . . Mg1 N2 C10 C15 113.60(17) . . Si2 N2 C10 Mg1 179.5(2) . . N1 Mg1 C10 N2 132.52(13) 2 . N1 Mg1 C10 N2 -105.01(15) . . C2 Mg1 C10 N2 69.54(14) 2 . C6 Mg1 C10 N2 -116.57(14) . . Mg1 Mg1 C10 N2 -178.97(13) 2 . N2 Mg1 C10 C11 87.1(2) . . N1 Mg1 C10 C11 -140.36(17) 2 . N1 Mg1 C10 C11 -17.9(2) . . C2 Mg1 C10 C11 156.66(17) 2 . C6 Mg1 C10 C11 -29.45(17) . . Mg1 Mg1 C10 C11 -91.85(19) 2 . N2 Mg1 C10 C15 -90.7(2) . . N1 Mg1 C10 C15 41.82(19) 2 . N1 Mg1 C10 C15 164.28(16) . . C2 Mg1 C10 C15 -21.16(18) 2 . C6 Mg1 C10 C15 152.73(18) . . Mg1 Mg1 C10 C15 90.33(19) 2 . N2 C10 C11 C12 171.80(18) . . C15 C10 C11 C12 -57.9(2) . . Mg1 C10 C11 C12 124.01(18) . . C10 C11 C12 C13 56.4(3) . . C11 C12 C13 C14 -53.5(3) . . C12 C13 C14 C15 54.0(3) . . C13 C14 C15 C10 -57.7(3) . . N2 C10 C15 C14 -170.65(18) . . C11 C10 C15 C14 58.6(2) . . Mg1 C10 C15 C14 -123.17(18) . . loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 PubChem 139105652