#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012877.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_2012877
_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
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_publ_author_name
  'Strohmann, Carsten'
  'Schildbach, Daniel'
_chemical_formula_moiety  'C38 H48 Cd N2 Si2'
_chemical_formula_sum  'C38 H48 Cd N2 Si2'
_chemical_formula_iupac  '[Cd (C19 H24 N Si)2]'
_chemical_formula_weight  701.36
_symmetry_cell_setting  monoclinic
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  27.277(5)
_cell_length_b  6.4390(10)
_cell_length_c  19.675(4)
_cell_angle_alpha  90
_cell_angle_beta  94.06(3)
_cell_angle_gamma  90
_cell_volume  3447.0(11)
_cell_formula_units_Z  4
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.351
_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
  Cd 0.000 0.20082(3) 0.25 0.02384(11) Uani d S 1 . . Cd
  Si 0.10817(2) 0.29625(8) 0.19135(3) 0.02162(15) Uani d . 1 . . Si
  N 0.01251(7) 0.4619(3) 0.15595(8) 0.0225(4) Uani d . 1 . . N
  C1 0.07303(9) 0.0853(3) 0.22722(11) 0.0268(4) Uani d . 1 . . C
  H1A 0.0925(13) 0.027(5) 0.2692(15) 0.044(8) Uiso d . 1 . . H
  H1B 0.0581(15) -0.017(6) 0.1971(18) 0.057(10) Uiso d . 1 . . H
  C2 0.15832(8) 0.3950(4) 0.25351(10) 0.0258(4) Uani d . 1 . . C
  C3 0.17904(11) 0.2656(5) 0.30463(13) 0.0337(5) Uani d . 1 . . C
  H3 0.1664(12) 0.135(5) 0.3076(14) 0.029(7) Uiso d . 1 . . H
  C4 0.21699(12) 0.3336(5) 0.34974(14) 0.0432(7) Uani d . 1 . . C
  H4 0.229(2) 0.242(7) 0.382(3) 0.074(13) Uiso d . 1 . . H
  C5 0.23524(10) 0.5322(5) 0.34459(12) 0.0430(6) Uani d . 1 . . C
  H5 0.2643(14) 0.582(6) 0.3783(17) 0.051(9) Uiso d . 1 . . H
  C6 0.21594(11) 0.6640(5) 0.29477(14) 0.0391(6) Uani d . 1 . . C
  H6 0.2288(18) 0.802(6) 0.289(2) 0.057(12) Uiso d . 1 . . H
  C7 0.17743(9) 0.5970(4) 0.24989(12) 0.0316(5) Uani d . 1 . . C
  H7 0.1645(14) 0.688(4) 0.2185(17) 0.033(8) Uiso d . 1 . . H
  C8 0.13775(9) 0.2304(4) 0.10994(11) 0.0265(5) Uani d . 1 . . C
  C9 0.16493(9) 0.3816(4) 0.07801(11) 0.0324(5) Uani d . 1 . . C
  H9 0.1680(14) 0.513(6) 0.0984(17) 0.052(9) Uiso d . 1 . . H
  C10 0.18644(11) 0.3419(5) 0.01775(13) 0.0397(6) Uani d . 1 . . C
  H10 0.2032(14) 0.459(6) -0.0049(17) 0.049(9) Uiso d . 1 . . H
  C11 0.18124(12) 0.1480(6) -0.01261(13) 0.0455(7) Uani d . 1 . . C
  H11 0.1971(13) 0.104(5) -0.0544(15) 0.042(8) Uiso d . 1 . . H
  C12 0.15491(12) -0.0043(6) 0.01811(14) 0.0495(7) Uani d . 1 . . C
  H12 0.1554(16) -0.151(6) -0.0003(19) 0.056(10) Uiso d . 1 . . H
  C13 0.13333(10) 0.0361(5) 0.07916(13) 0.0388(6) Uani d . 1 . . C
  H13 0.1174(15) -0.067(6) 0.0999(18) 0.058(10) Uiso d . 1 . . H
  C14 0.06472(8) 0.5235(3) 0.16972(11) 0.0247(4) Uani d . 1 . . C
  H14A 0.0651(11) 0.618(4) 0.2095(13) 0.025(6) Uiso d . 1 . . H
  H14B 0.0765(12) 0.597(5) 0.1330(15) 0.037(7) Uiso d . 1 . . H
  C15 -0.01866(9) 0.6489(4) 0.14769(12) 0.0293(5) Uani d . 1 . . C
  H15A -0.0055(13) 0.736(5) 0.1131(16) 0.035(8) Uiso d . 1 . . H
  H15B -0.0125(13) 0.737(5) 0.1879(16) 0.033(7) Uiso d . 1 . . H
  C16 -0.07219(9) 0.5945(5) 0.13416(12) 0.0333(5) Uani d . 1 . . C
  H16A -0.089(2) 0.729(7) 0.127(2) 0.072(13) Uiso d . 1 . . H
  H16B -0.0805(12) 0.525(5) 0.1723(15) 0.035(7) Uiso d . 1 . . H
  C17 -0.08042(10) 0.4572(5) 0.07171(12) 0.0406(6) Uani d . 1 . . C
  H17A -0.1160(14) 0.424(5) 0.0663(16) 0.047(9) Uiso d . 1 . . H
  H17B -0.0733(15) 0.541(6) 0.0307(18) 0.058(10) Uiso d . 1 . . H
  C18 -0.04619(12) 0.2709(5) 0.07727(14) 0.0407(6) Uani d . 1 . . C
  H18A -0.044(2) 0.194(8) 0.037(3) 0.100(19) Uiso d . 1 . . H
  H18B -0.0570(15) 0.176(5) 0.1129(18) 0.043(9) Uiso d . 1 . . H
  C19 0.00679(10) 0.3380(4) 0.09273(11) 0.0300(5) Uani d . 1 . . C
  H19A 0.0274(14) 0.223(5) 0.0960(16) 0.032(8) Uiso d . 1 . . H
  H19B 0.0185(11) 0.416(5) 0.0529(14) 0.033(7) 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
  Cd 0.01879(16) 0.02933(15) 0.02379(14) 0.000 0.00414(9) 0.000
  Si 0.0167(3) 0.0267(3) 0.0216(3) -0.0012(2) 0.0020(2) 0.00029(19)
  N 0.0178(9) 0.0296(9) 0.0200(7) 0.0006(7) -0.0006(6) 0.0007(7)
  C1 0.0204(11) 0.0277(10) 0.0330(10) 0.0017(9) 0.0057(8) 0.0021(9)
  C2 0.0189(11) 0.0357(11) 0.0231(9) -0.0018(9) 0.0029(8) -0.0027(9)
  C3 0.0285(14) 0.0429(13) 0.0292(11) -0.0006(11) -0.0012(10) 0.0018(10)
  C4 0.0325(16) 0.0671(18) 0.0289(11) 0.0019(14) -0.0060(10) 0.0046(12)
  C5 0.0243(13) 0.0721(19) 0.0321(11) -0.0055(13) -0.0011(9) -0.0133(12)
  C6 0.0310(15) 0.0481(14) 0.0387(13) -0.0085(12) 0.0064(11) -0.0110(12)
  C7 0.0243(12) 0.0392(12) 0.0311(10) -0.0041(10) 0.0006(9) -0.0015(10)
  C8 0.0186(12) 0.0392(12) 0.0215(9) 0.0016(9) 0.0003(8) -0.0005(9)
  C9 0.0272(13) 0.0404(13) 0.0303(10) 0.0026(11) 0.0071(9) 0.0037(10)
  C10 0.0277(14) 0.0602(16) 0.0319(11) 0.0065(13) 0.0062(10) 0.0103(12)
  C11 0.0341(16) 0.0777(19) 0.0251(10) 0.0083(15) 0.0045(10) -0.0057(13)
  C12 0.0406(17) 0.067(2) 0.0422(13) -0.0055(15) 0.0077(11) -0.0252(14)
  C13 0.0311(14) 0.0480(14) 0.0381(12) -0.0063(12) 0.0075(10) -0.0108(12)
  C14 0.0201(11) 0.0266(10) 0.0275(9) -0.0016(9) 0.0011(8) 0.0034(8)
  C15 0.0256(12) 0.0325(11) 0.0296(10) 0.0060(10) 0.0007(9) 0.0067(10)
  C16 0.0231(12) 0.0478(14) 0.0288(10) 0.0048(11) 0.0009(8) 0.0039(10)
  C17 0.0239(13) 0.0682(18) 0.0286(10) 0.0008(12) -0.0055(9) 0.0007(12)
  C18 0.0324(16) 0.0588(17) 0.0297(12) -0.0033(13) -0.0055(10) -0.0116(12)
  C19 0.0260(13) 0.0428(12) 0.0209(9) 0.0021(11) 0.0001(8) -0.0037(9)
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
  Cd C1 2 2.202(2) no
  Cd C1 . 2.202(2) yes
  Cd N 2 2.5409(17) no
  Cd N . 2.5409(17) yes
  Si C1 . 1.832(2) yes
  Si C2 . 1.880(2) yes
  Si C8 . 1.892(2) yes
  Si C14 . 1.912(2) yes
  N C15 . 1.476(3) no
  N C19 . 1.477(3) no
  N C14 . 1.485(3) no
  C1 H1A . 1.02(3) no
  C1 H1B . 0.96(4) no
  C2 C3 . 1.395(3) no
  C2 C7 . 1.404(3) no
  C3 C4 . 1.386(4) no
  C3 H3 . 0.91(3) no
  C4 C5 . 1.379(5) no
  C4 H4 . 0.92(5) no
  C5 C6 . 1.373(4) no
  C5 H5 . 1.05(4) no
  C6 C7 . 1.392(4) no
  C6 H6 . 0.97(4) no
  C7 H7 . 0.91(3) no
  C8 C13 . 1.391(4) no
  C8 C9 . 1.400(4) no
  C9 C10 . 1.383(3) no
  C9 H9 . 0.94(4) no
  C10 C11 . 1.387(5) no
  C10 H10 . 1.00(4) no
  C11 C12 . 1.380(5) no
  C11 H11 . 1.00(3) no
  C12 C13 . 1.399(3) no
  C12 H12 . 1.01(4) no
  C13 H13 . 0.91(4) no
  C14 H14A . 0.99(3) no
  C14 H14B . 0.94(3) no
  C15 C16 . 1.507(4) no
  C15 H15A . 0.97(3) no
  C15 H15B . 0.98(3) no
  C16 C17 . 1.517(4) no
  C16 H16A . 0.98(5) no
  C16 H16B . 0.91(3) no
  C17 C18 . 1.519(4) no
  C17 H17A . 0.99(4) no
  C17 H17B . 1.00(4) no
  C18 C19 . 1.518(4) no
  C18 H18A . 0.95(6) no
  C18 H18B . 0.99(3) no
  C19 H19A . 0.93(3) no
  C19 H19B . 1.00(3) no
_cod_database_code 2012877