#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:33:58 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178520 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/24/4062434.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_4062434
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C32 H36 Co2 N2 O2 Si2'
_chemical_formula_sum            'C32 H36 Co2 N2 O2 Si2'
_chemical_formula_weight         654.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.035(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.722(4)
_cell_length_b                   8.600(3)
_cell_length_c                   12.232(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1547.6(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.405
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062434
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'
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
Co1 Co 1.06489(3) 0.10223(4) 0.06351(3) 0.01440(14) Uani 1 1 d . . .
Si1 Si 0.56417(6) 0.79545(8) 0.18778(7) 0.0178(2) Uani 1 1 d . . .
O1 O 0.98326(13) -0.0199(2) 0.14484(15) 0.0164(4) Uani 1 1 d . . .
N1 N 0.93860(16) 0.0461(2) 0.05583(18) 0.0134(5) Uani 1 1 d . . .
C1 C 0.87231(18) 0.1581(3) 0.0803(2) 0.0143(6) Uani 1 1 d . . .
C2 C 0.8421(2) 0.1835(3) 0.1852(2) 0.0174(6) Uani 1 1 d . . .
H2 H 0.8653 0.1228 0.2448 0.027(9) Uiso 1 1 calc R . .
C3 C 0.7777(2) 0.2982(3) 0.2023(2) 0.0188(6) Uani 1 1 d . . .
H3 H 0.7573 0.3157 0.2741 0.018(8) Uiso 1 1 calc R . .
C4 C 0.74251(19) 0.3885(3) 0.1158(2) 0.0151(6) Uani 1 1 d . . .
C5 C 0.7726(2) 0.3598(3) 0.0102(2) 0.0183(6) Uani 1 1 d . . .
H5 H 0.7488 0.4193 -0.0496 0.015(8) Uiso 1 1 calc R . .
C6 C 0.8363(2) 0.2461(3) -0.0076(2) 0.0166(6) Uani 1 1 d . . .
H6 H 0.8559 0.2273 -0.0795 0.018(8) Uiso 1 1 calc R . .
C7 C 0.6802(2) 0.5131(3) 0.1356(2) 0.0176(6) Uani 1 1 d . . .
C8 C 0.6309(2) 0.6204(3) 0.1553(2) 0.0194(6) Uani 1 1 d . . .
C9 C 0.6184(2) 0.9637(3) 0.1183(3) 0.0293(7) Uani 1 1 d . . .
H9A H 0.6801 0.9788 0.1491 0.035(10) Uiso 1 1 calc R . .
H9B H 0.5824 1.0579 0.1297 0.043(11) Uiso 1 1 calc R . .
H9C H 0.6209 0.9425 0.0398 0.040(10) Uiso 1 1 calc R . .
C10 C 0.5691(2) 0.8197(4) 0.3395(3) 0.0262(7) Uani 1 1 d . . .
H10A H 0.5529 0.7213 0.3742 0.040(11) Uiso 1 1 calc R . .
H10B H 0.5263 0.9008 0.3602 0.045(11) Uiso 1 1 calc R . .
H10C H 0.6308 0.8496 0.3638 0.043(11) Uiso 1 1 calc R . .
C11 C 0.4446(2) 0.7713(3) 0.1367(3) 0.0242(7) Uani 1 1 d . . .
H11A H 0.4436 0.7478 0.0583 0.051(12) Uiso 1 1 calc R . .
H11B H 0.4109 0.8676 0.1489 0.037(10) Uiso 1 1 calc R . .
H11C H 0.4163 0.6858 0.1760 0.040(10) Uiso 1 1 calc R . .
C12 C 1.0765(2) 0.3208(4) 0.1326(3) 0.0345(9) Uani 1 1 d . . .
H12 H 1.0273 0.3789 0.1694 0.032(10) Uiso 1 1 calc R . .
C13 C 1.0959(2) 0.3287(3) 0.0206(3) 0.0265(7) Uani 1 1 d . . .
H13 H 1.0633 0.3933 -0.0363 0.022(9) Uiso 1 1 calc R . .
C14 C 1.1702(2) 0.2276(3) 0.0038(3) 0.0210(6) Uani 1 1 d . . .
H14 H 1.1990 0.2089 -0.0678 0.030(9) Uiso 1 1 calc R . .
C15 C 1.1986(2) 0.1602(4) 0.1055(3) 0.0266(7) Uani 1 1 d . . .
H15 H 1.2504 0.0865 0.1186 0.048(12) Uiso 1 1 calc R . .
C16 C 1.1403(2) 0.2185(4) 0.1842(3) 0.0345(9) Uani 1 1 d . . .
H16 H 1.1428 0.1912 0.2638 0.054(12) Uiso 1 1 calc R . .
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
Co1 O1 1.9032(19) . ?
Co1 N1 1.920(2) . ?
Co1 N1 1.938(2) 3_755 ?
Co1 C14 2.044(3) . ?
Co1 C12 2.066(3) . ?
Co1 C13 2.072(3) . ?
Co1 C16 2.073(3) . ?
Co1 C15 2.078(3) . ?
Co1 Co1 2.9908(9) 3_755 ?
Si1 C8 1.848(3) . ?
Si1 C11 1.858(3) . ?
Si1 C10 1.867(3) . ?
Si1 C9 1.871(3) . ?
O1 N1 1.374(3) . ?
N1 C1 1.411(3) . ?
N1 Co1 1.938(2) 3_755 ?
C1 C2 1.391(4) . ?
C1 C6 1.403(4) . ?
C2 C3 1.389(4) . ?
C3 C4 1.397(4) . ?
C4 C5 1.402(4) . ?
C4 C7 1.437(4) . ?
C5 C6 1.377(4) . ?
C7 C8 1.203(4) . ?
C12 C13 1.411(5) . ?
C12 C16 1.418(5) . ?
C13 C14 1.418(4) . ?
C14 C15 1.422(4) . ?
C15 C16 1.406(5) . ?
