#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:31:56 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178517 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/21/4062167.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_4062167
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C40 H60 O6 Ru4 Si4'
_chemical_formula_weight         1153.52
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                114.8090(10)
_cell_angle_beta                 114.8090(10)
_cell_angle_gamma                114.8090(10)
_cell_formula_units_Z            3
_cell_length_a                   17.8969(16)
_cell_length_b                   17.8969(16)
_cell_length_c                   17.8969(16)
_cell_measurement_temperature    173(2)
_cell_volume                     3263.3(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.761
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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      'R -3'
_cod_database_code               4062167
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-x, -y, -z'
'-z, -x, -y'
'-y, -z, -x'
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
Ru1 Ru 0.319588(16) 0.845482(16) 0.401176(16) 0.02004(6) Uani 1 1 d . . .
Ru2 Ru 0.426187(17) 1.021002(17) 0.386314(17) 0.02155(6) Uani 1 1 d . . .
Si1 Si 0.28410(6) 0.72482(6) 0.15495(6) 0.02448(14) Uani 1 1 d . . .
Si2 Si 0.11757(6) 0.78077(7) 0.16068(6) 0.02729(15) Uani 1 1 d . . .
C1 C 0.1819(2) 0.6592(2) 0.3071(2) 0.0314(6) Uani 1 1 d . . .
H1A H 0.1753 0.6324 0.3451 0.038 Uiso 1 1 calc R . .
C2 C 0.2395(2) 0.6613(2) 0.2702(2) 0.0298(5) Uani 1 1 d . . .
H2A H 0.2839 0.6401 0.2824 0.036 Uiso 1 1 calc R . .
C3 C 0.2224(2) 0.6968(2) 0.2125(2) 0.0248(5) Uani 1 1 d . . .
C4 C 0.1516(2) 0.7180(2) 0.2128(2) 0.0264(5) Uani 1 1 d . . .
C5 C 0.1268(2) 0.6917(2) 0.2697(2) 0.0306(6) Uani 1 1 d . . .
H5A H 0.0746 0.6916 0.2774 0.037 Uiso 1 1 calc R . .
C6 C 0.4155(3) 0.7514(3) 0.2220(3) 0.0385(7) Uani 1 1 d . . .
H6A H 0.4765 0.8184 0.3089 0.058 Uiso 1 1 calc R . .
H6B H 0.4478 0.7702 0.1927 0.058 Uiso 1 1 calc R . .
H6C H 0.3921 0.6798 0.2000 0.058 Uiso 1 1 calc R . .
C7 C 0.1667(3) 0.5974(2) -0.0106(2) 0.0339(6) Uani 1 1 d . . .
H7A H 0.1467 0.5268 -0.0328 0.051 Uiso 1 1 calc R . .
H7B H 0.1963 0.6178 -0.0411 0.051 Uiso 1 1 calc R . .
H7C H 0.0954 0.5805 -0.0448 0.051 Uiso 1 1 calc R . .
C8 C 0.0989(3) 0.8658(3) 0.2401(3) 0.0421(7) Uani 1 1 d . . .
H8A H 0.1709 0.9290 0.3261 0.063 Uiso 1 1 calc R . .
H8B H 0.0302 0.8119 0.2222 0.063 Uiso 1 1 calc R . .
H8C H 0.0860 0.9012 0.2139 0.063 Uiso 1 1 calc R . .
C9 C -0.0209(2) 0.6604(3) -0.0033(3) 0.0398(7) Uani 1 1 d . . .
H9A H -0.0366 0.6958 -0.0282 0.060 Uiso 1 1 calc R . .
H9B H -0.0883 0.6042 -0.0211 0.060 Uiso 1 1 calc R . .
H9C H -0.0101 0.6182 -0.0465 0.060 Uiso 1 1 calc R . .
C10 C 0.2516(2) 0.8804(2) 0.1972(2) 0.0248(5) Uani 1 1 d . . .
C11 C 0.3237(2) 0.8603(2) 0.1996(2) 0.0241(5) Uani 1 1 d . . .
C12 C 0.4257(2) 0.9624(2) 0.2466(2) 0.0278(5) Uani 1 1 d . . .
H12A H 0.4903 0.9734 0.2575 0.033 Uiso 1 1 calc R . .
C13 C 0.4212(2) 1.0466(2) 0.2742(2) 0.0308(6) Uani 1 1 d . . .
H13A H 0.4790 1.1240 0.3034 0.037 Uiso 1 1 calc R . .
C14 C 0.3138(2) 0.9953(2) 0.2419(2) 0.0298(5) Uani 1 1 d . . .
H14A H 0.2835 1.0313 0.2449 0.036 Uiso 1 1 calc R . .
C15 C 0.4317(4) 1.1211(4) 0.4834(3) 0.0537(10) Uani 1 1 d . . .
C16 C 0.3230(2) 0.9348(2) 0.5055(2) 0.0317(6) Uani 1 1 d . . .
O1 O 0.3133(2) 0.9800(2) 0.5636(2) 0.0514(6) Uani 1 1 d . . .
O2 O 0.4288(4) 1.1829(4) 0.5359(3) 0.0970(14) Uani 1 1 d . . .
C17 C 0.161(2) 0.091(3) 0.081(5) 0.84(6) Uiso 1 1 d D . .
H17A H 0.1467 0.0255 0.0667 1.265 Uiso 1 1 calc R . .
H17B H 0.1123 0.0648 0.0044 1.265 Uiso 1 1 calc R . .
H17C H 0.1398 0.1167 0.1205 1.265 Uiso 1 1 calc R . .
C18 C 0.2924(10) 0.1955(11) 0.1595(12) 0.214(5) Uiso 1 1 d D . .
H18A H 0.2868 0.1651 0.0946 0.256 Uiso 1 1 calc R . .
H18B H 0.2891 0.2526 0.1705 0.256 Uiso 1 1 calc R . .
C19 C 0.5218(8) 0.3288(9) 0.3587(8) 0.145(3) Uiso 1 1 d D . .
H19A H 0.5938 0.3980 0.3900 0.174 Uiso 1 1 calc R . .
H19B H 0.5208 0.2671 0.3329 0.174 Uiso 1 1 calc R . .
C20 C 0.535(3) 0.368(2) 0.4607(18) 0.487(18) Uiso 1 1 d D . .
H20A H 0.4698 0.2985 0.4346 0.731 Uiso 1 1 calc R . .
H20B H 0.5319 0.4260 0.4850 0.731 Uiso 1 1 calc R . .
H20C H 0.6113 0.4044 0.5283 0.731 Uiso 1 1 calc R . .
O3 O 0.4196(12) 0.282(2) 0.2555(17) 0.591(16) Uiso 1 1 d D . .
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
Ru1 C16 1.835(3) . ?
Ru1 C5 2.191(3) . ?
Ru1 C4 2.212(2) . ?
Ru1 C1 2.222(3) . ?
Ru1 C2 2.269(3) . ?
Ru1 C3 2.271(2) . ?
Ru1 Ru2 3.0990(4) 4_676 ?
Ru1 Ru2 3.1106(4) . ?
Ru2 C15 1.825(3) . ?
Ru2 C14 2.190(3) . ?
Ru2 C13 2.213(3) . ?
Ru2 C10 2.220(2) . ?
Ru2 C12 2.265(2) . ?
Ru2 C11 2.273(2) . ?
Ru2 Ru1 3.0990(4) 4_676 ?
Si1 C6 1.847(3) . ?
Si1 C3 1.858(3) . ?
Si1 C11 1.864(3) . ?
Si1 C7 1.865(3) . ?
Si2 C8 1.858(3) . ?
Si2 C10 1.864(3) . ?
Si2 C4 1.866(3) . ?
Si2 C9 1.873(3) . ?
C1 C5 1.418(4) . ?
C1 C2 1.437(4) . ?
C2 C3 1.418(4) . ?
C3 C4 1.470(4) . ?
C4 C5 1.435(4) . ?
C10 C14 1.435(4) . ?
C10 C11 1.468(3) . ?
C11 C12 1.415(3) . ?
C12 C13 1.425(4) . ?
C13 C14 1.419(4) . ?
C15 O2 1.151(4) . ?
C16 O1 1.151(3) . ?
C17 C18 1.525(2) . ?
C18 O3 1.434(2) . ?
C19 O3 1.432(2) . ?
C19 C20 1.521(2) . ?
