data_2012878 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2002 _journal_volume 58 _journal_page_first m447 _journal_page_last m449 _publ_section_title ; Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium ; loop_ _publ_author_name 'Strohmann, Carsten' 'Schildbach, Daniel' _chemical_formula_moiety 'C38 H48 Mg N2 Si2' _chemical_formula_sum 'C38 H48 Mg N2 Si2' _chemical_formula_iupac '[Mg (C19 H24 N Si)2]' _chemical_formula_weight 613.27 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 27.215(5) _cell_length_b 6.4100(10) _cell_length_c 19.576(4) _cell_angle_alpha 90 _cell_angle_beta 93.38(3) _cell_angle_gamma 90 _cell_volume 3409.1(11) _cell_formula_units_Z 4 _cell_measurement_temperature 173(2) _exptl_crystal_density_diffrn 1.195 _diffrn_ambient_temperature 173(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Mg 0.000 0.26639(13) 0.25 0.0114(2) Uani d S 1 . . Mg Si 0.106835(15) 0.30101(8) 0.19397(3) 0.01126(16) Uani d . 1 . . Si N 0.01175(5) 0.4755(2) 0.15982(8) 0.0112(3) Uani d . 1 . . N C1 0.06862(6) 0.1050(3) 0.23198(11) 0.0151(4) Uani d . 1 . . C H1A 0.0849(8) 0.030(4) 0.2727(13) 0.025(6) Uiso d . 1 . . H H1B 0.0562(9) 0.004(4) 0.1968(15) 0.038(7) Uiso d . 1 . . H C2 0.15775(6) 0.3975(3) 0.25555(10) 0.0147(4) Uani d . 1 . . C C3 0.17808(7) 0.2643(3) 0.30620(12) 0.0219(5) Uani d . 1 . . C H3 0.1655(9) 0.126(4) 0.3115(14) 0.031(7) Uiso d . 1 . . H C4 0.21658(8) 0.3272(4) 0.35054(13) 0.0298(5) Uani d . 1 . . C H4 0.2301(12) 0.234(5) 0.3825(19) 0.055(9) Uiso d . 1 . . H C5 0.23613(8) 0.5251(4) 0.34560(13) 0.0297(6) Uani d . 1 . . C H5 0.2619(9) 0.565(4) 0.3729(14) 0.029(6) Uiso d . 1 . . H C6 0.21694(7) 0.6608(4) 0.29598(12) 0.0257(5) Uani d . 1 . . C H6 0.2307(8) 0.792(4) 0.2914(13) 0.021(6) Uiso d . 1 . . H C7 0.17804(7) 0.5977(3) 0.25159(12) 0.0210(5) Uani d . 1 . . C H7 0.1645(8) 0.701(4) 0.2150(13) 0.019(6) Uiso d . 1 . . H C8 0.13661(6) 0.2333(3) 0.11173(11) 0.0148(4) Uani d . 1 . . C C9 0.16501(7) 0.3816(3) 0.07900(12) 0.0209(5) Uani d . 1 . . C H9 0.1705(9) 0.523(4) 0.0991(14) 0.030(6) Uiso d . 1 . . H C10 0.18643(8) 0.3375(4) 0.01818(13) 0.0276(5) Uani d . 1 . . C H10 0.2041(9) 0.443(4) -0.0036(15) 0.038(7) Uiso d . 1 . . H C11 0.18027(8) 0.1444(4) -0.01198(13) 0.0313(6) Uani d . 1 . . C H11 0.1941(10) 0.121(5) -0.0557(16) 0.044(8) Uiso d . 1 . . H C12 0.15285(8) -0.0050(4) 0.01893(14) 0.0350(6) Uani d . 1 . . C H12 0.1487(11) -0.143(5) -0.0008(16) 0.048(8) Uiso d . 1 . . H C13 0.13144(7) 0.0390(4) 0.07998(13) 0.0249(5) Uani d . 1 . . C H13 0.1139(9) -0.070(5) 0.1035(15) 0.038(7) Uiso d . 1 . . H C14 0.06490(6) 0.5344(3) 0.17079(11) 0.0136(4) Uani d . 1 . . C H14A 0.0666(7) 0.634(3) 0.2090(12) 0.012(5) Uiso d . 1 . . H H14B 0.0758(8) 0.608(4) 0.1302(14) 0.027(6) Uiso d . 1 . . H C15 -0.01832(6) 0.6682(3) 0.14876(12) 0.0161(4) Uani d . 1 . . C H15A -0.0059(9) 0.742(4) 0.1106(15) 0.029(7) Uiso d . 1 . . H H15B -0.0123(7) 0.754(3) 0.1895(13) 0.013(5) Uiso d . 1 . . H C16 -0.07239(7) 0.6180(4) 0.13404(12) 0.0205(5) Uani d . 1 . . C H16A -0.0909(8) 0.748(4) 0.1266(13) 0.022(6) Uiso d . 1 . . H H16B -0.0843(8) 0.558(4) 0.1744(13) 0.016(5) Uiso d . 1 . . H C17 -0.08055(7) 0.4745(4) 0.07273(13) 0.0258(5) Uani d . 1 . . C H17A -0.1142(10) 0.434(4) 0.0664(15) 0.039(7) Uiso d . 1 . . H H17B -0.0723(9) 0.552(4) 0.0320(15) 0.032(7) Uiso d . 1 . . H C18 -0.04749(7) 0.2839(4) 0.08047(13) 0.0258(5) Uani d . 1 . . C H18A -0.0494(10) 0.188(4) 0.0388(17) 0.043(8) Uiso d . 1 . . H H18B -0.0595(10) 0.194(4) 0.1184(16) 0.039(7) Uiso d . 1 . . H C19 0.00582(7) 0.3456(3) 0.09699(11) 0.0184(4) Uani d . 1 . . C H19A 0.0251(8) 0.222(4) 0.1017(12) 0.016(5) Uiso d . 1 . . H H19B 0.0180(8) 0.429(4) 0.0565(14) 0.028(6) Uiso d . 1 . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Mg 0.0091(4) 0.0122(5) 0.0131(5) 0.000 0.0027(3) 0.000 Si 0.0078(2) 0.0117(3) 0.0144(3) -0.00090(17) 0.00148(18) 0.0002(2) N 0.0100(7) 0.0108(8) 0.0127(9) 0.0000(5) -0.0003(6) 0.0004(6) C1 0.0119(8) 0.0127(10) 0.0209(12) 0.0009(7) 0.0032(7) 0.0005(8) C2 0.0102(7) 0.0181(10) 0.0161(11) -0.0009(7) 0.0036(7) -0.0034(8) C3 0.0180(9) 0.0242(12) 0.0236(14) 0.0008(8) 0.0008(8) 0.0030(9) C4 0.0227(10) 0.0443(15) 0.0214(14) 0.0014(10) -0.0060(9) 0.0054(11) C5 0.0172(10) 0.0484(15) 0.0231(15) -0.0052(9) -0.0023(9) -0.0105(11) C6 0.0187(9) 0.0290(13) 0.0298(15) -0.0086(8) 0.0036(9) -0.0112(10) C7 0.0169(9) 0.0218(11) 0.0243(13) -0.0046(8) 0.0021(8) -0.0002(9) C8 0.0093(7) 0.0192(10) 0.0157(12) 0.0023(7) -0.0016(7) -0.0001(8) C9 0.0184(9) 0.0221(11) 0.0225(13) 0.0021(8) 0.0050(8) 0.0037(9) C10 0.0210(9) 0.0390(14) 0.0236(14) 0.0067(9) 0.0066(9) 0.0086(10) C11 0.0217(10) 0.0550(16) 0.0173(14) 0.0087(10) 0.0026(9) -0.0054(11) C12 0.0275(11) 0.0440(15) 0.0337(17) -0.0014(10) 0.0034(10) -0.0216(12) C13 0.0195(9) 0.0250(12) 0.0307(14) -0.0047(8) 0.0050(8) -0.0075(10) C14 0.0107(8) 0.0134(10) 0.0167(12) -0.0029(7) 0.0019(7) 0.0017(8) C15 0.0148(9) 0.0140(10) 0.0193(13) 0.0028(7) 0.0000(7) 0.0053(8) C16 0.0136(9) 0.0280(12) 0.0198(13) 0.0051(8) -0.0002(8) 0.0043(9) C17 0.0144(9) 0.0431(14) 0.0192(14) 0.0016(8) -0.0056(8) 0.0015(10) C18 0.0222(10) 0.0337(13) 0.0206(14) -0.0018(9) -0.0066(8) -0.0094(10) C19 0.0176(9) 0.0242(11) 0.0133(12) 0.0031(8) -0.0001(7) -0.0047(8) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Mg C1 2 2.1816(18) no Mg C1 . 2.1816(18) yes Mg N 2 2.2545(17) no Mg N . 2.2545(17) yes Mg Si 2 3.1752(8) no Mg Si . 3.1752(9) no Si C1 . 1.818(2) yes Si C2 . 1.886(2) yes Si C8 . 1.895(2) yes Si C14 . 1.9200(19) yes N C19 . 1.486(3) no N C15 . 1.490(2) no N C14 . 1.498(2) no C1 H1A . 1.01(3) no C1 H1B . 0.99(3) no C2 C3 . 1.398(3) no C2 C7 . 1.401(3) no C3 C4 . 1.381(3) no C3 H3 . 0.96(3) no C4 C5 . 1.381(4) no C4 H4 . 0.92(3) no C5 C6 . 1.383(4) no C5 H5 . 0.89(3) no C6 C7 . 1.390(3) no C6 H6 . 0.93(2) no C7 H7 . 1.03(2) no C8 C13 . 1.395(3) no C8 C9 . 1.403(3) no C9 C10 . 1.385(3) no C9 H9 . 1.00(3) no C10 C11 . 1.378(4) no C10 H10 . 0.95(3) no C11 C12 . 1.376(4) no C11 H11 . 0.97(3) no C12 C13 . 1.389(3) no C12 H12 . 0.97(3) no C13 H13 . 0.98(3) no C14 H14A . 0.98(2) no C14 H14B . 0.98(3) no C15 C16 . 1.517(3) no C15 H15A . 0.96(3) no C15 H15B . 0.97(2) no C16 C17 . 1.518(3) no C16 H16A . 0.98(2) no C16 H16B . 0.95(3) no C17 C18 . 1.520(3) no C17 H17A . 0.95(3) no C17 H17B . 0.98(3) no C18 C19 . 1.520(3) no C18 H18A . 1.02(3) no C18 H18B . 1.01(3) no C19 H19A . 0.95(2) no C19 H19B . 1.03(3) no