#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/21/4062192.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_4062192
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C25 H16 Co2 Fe O6 Si'
_chemical_formula_weight         614.18
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.881(3)
_cell_angle_beta                 100.468(3)
_cell_angle_gamma                101.146(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2617(4)
_cell_length_b                   8.3552(17)
_cell_length_c                   18.4860(7)
_cell_measurement_temperature    150(1)
_cell_volume                     1202.6(3)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.696
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4062192
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
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.02786(7) -0.19889(7) -0.37270(3) 0.02372(17) Uani 0.979(2) 1 d PD A 1
Co2 Co -0.23592(7) -0.02126(7) -0.36573(3) 0.02236(17) Uani 0.979(2) 1 d PD A 1
Co1* Co 0.022(4) -0.277(4) -0.3629(17) 0.035(9) Uiso 0.021(2) 1 d PD A 2
Co2* Co -0.140(5) -0.057(4) -0.372(2) 0.056(12) Uiso 0.021(2) 1 d PD A 2
Fe1 Fe -0.27718(7) -0.27804(7) -0.10688(3) 0.02274(16) Uani 1 1 d . A 1
Si1 Si -0.30273(13) -0.31415(13) -0.25630(5) 0.0218(2) Uani 1 1 d . A 1
O1 O 0.2320(5) 0.0265(5) -0.4217(2) 0.0599(11) Uani 1 1 d . A 1
O2 O 0.1597(5) -0.4165(5) -0.3017(2) 0.0581(10) Uani 1 1 d . A 1
O3 O -0.2202(4) -0.4580(4) -0.50678(18) 0.0471(8) Uani 1 1 d . A 1
O4 O -0.0693(5) 0.2701(4) -0.41744(19) 0.0528(9) Uani 1 1 d . A 1
O5 O -0.5065(4) -0.2196(4) -0.49547(18) 0.0452(8) Uani 1 1 d . A 1
O6 O -0.4566(4) 0.1296(4) -0.28126(18) 0.0444(8) Uani 1 1 d . A 1
C1 C -0.1708(5) -0.3966(5) -0.1831(2) 0.0261(8) Uani 1 1 d . A 1
C2 C -0.0418(5) -0.2808(5) -0.1229(2) 0.0286(8) Uani 1 1 d . A 1
H2A H 0.0417 -0.1832 -0.1292 0.034 Uiso 1 1 calc R A 1
C3 C -0.0562(5) -0.3260(5) -0.0533(2) 0.0313(9) Uani 1 1 d . A 1
H3A H 0.0137 -0.2645 -0.0026 0.038 Uiso 1 1 calc R A 1
C4 C -0.1884(5) -0.4698(5) -0.0675(2) 0.0313(9) Uani 1 1 d . A 1
H4A H -0.2289 -0.5276 -0.0288 0.038 Uiso 1 1 calc R A 1
C5 C -0.2580(5) -0.5143(5) -0.1464(2) 0.0278(8) Uani 1 1 d . A 1
H5A H -0.3555 -0.6104 -0.1722 0.033 Uiso 1 1 calc R A 1
C6 C -0.4042(5) -0.1908(5) -0.1892(2) 0.0249(8) Uani 1 1 d . A 1
C7 C -0.2977(5) -0.0545(5) -0.1302(2) 0.0288(9) Uani 1 1 d . A 1
H7A H -0.2029 0.0321 -0.1370 0.035 Uiso 1 1 calc R A 1
C8 C -0.3459(6) -0.0654(5) -0.0605(2) 0.0324(9) Uani 1 1 d . A 1
H8A H -0.2910 0.0103 -0.0104 0.039 Uiso 1 1 calc R A 1
C9 C -0.4846(5) -0.2056(5) -0.0755(2) 0.0316(9) Uani 1 1 d . A 1
H9A H -0.5425 -0.2470 -0.0370 0.038 Uiso 1 1 calc R A 1
C10 C -0.5217(5) -0.2825(5) -0.1527(2) 0.0285(9) Uani 1 1 d . A 1
H10A H -0.6121 -0.3852 -0.1779 0.034 Uiso 1 1 calc R A 1
C11 C -0.4557(5) -0.4835(5) -0.3284(2) 0.0335(9) Uani 1 1 d . A 1
H11A H -0.5243 -0.4349 -0.3638 0.050 Uiso 1 1 calc R A 1
H11B H -0.5296 -0.5519 -0.3038 0.050 Uiso 1 1 calc R A 1
H11C H -0.3943 -0.5533 -0.3557 0.050 Uiso 1 1 calc R A 1
C12 C -0.1703(5) -0.1713(5) -0.2993(2) 0.0241(8) Uani 1 1 d . A 1
C13 C -0.0468(5) -0.0340(5) -0.2865(2) 0.0229(8) Uani 1 1 d . A 1
C14 C 0.0785(5) 0.0905(5) -0.22610(19) 0.0219(7) Uani 1 1 d . A 1
C15 C 0.0485(5) 0.2457(5) -0.1988(2) 0.0271(8) Uani 1 1 d . A 1
H15A H -0.0517 0.2745 -0.2213 0.033 Uiso 1 1 calc R A 1
C16 C 0.1633(5) 0.3584(5) -0.1391(2) 0.0296(9) Uani 1 1 d . A 1
H16A H 0.1402 0.4628 -0.1203 0.036 Uiso 1 1 calc R A 1
C17 C 0.3108(5) 0.3198(5) -0.1069(2) 0.0287(8) Uani 1 1 d . A 1
H17A H 0.3894 0.3975 -0.0661 0.034 Uiso 1 1 calc R A 1
C18 C 0.3442(5) 0.1671(5) -0.1340(2) 0.0296(9) Uani 1 1 d . A 1
H18A H 0.4460 0.1405 -0.1119 0.036 Uiso 1 1 calc R A 1
C19 C 0.2293(5) 0.0532(5) -0.1934(2) 0.0261(8) Uani 1 1 d . A 1
H19A H 0.2532 -0.0510 -0.2119 0.031 Uiso 1 1 calc R A 1
C20 C 0.1306(6) -0.0638(6) -0.4046(2) 0.0372(10) Uani 1 1 d . A 1
C21 C 0.0907(6) -0.3305(6) -0.3298(2) 0.0376(10) Uani 1 1 d . A 1
C22 C -0.1477(5) -0.3579(6) -0.4552(2) 0.0322(9) Uani 1 1 d . A 1
C23 C -0.1359(6) 0.1568(6) -0.3986(2) 0.0341(9) Uani 1 1 d . A 1
C24 C -0.4018(5) -0.1453(5) -0.4447(2) 0.0298(9) Uani 1 1 d . A 1
C25 C -0.3687(5) 0.0730(5) -0.3141(2) 0.0299(9) Uani 1 1 d . A 1
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 C21 1.798(5) . ?
Co1 C20 1.809(5) . ?
Co1 C22 1.821(4) . ?
Co1 C12 1.964(4) . ?
Co1 C13 1.971(4) . ?
Co1 Co2 2.4850(8) . ?
Co2 C25 1.787(4) . ?
Co2 C23 1.812(4) . ?
Co2 C24 1.813(4) . ?
Co2 C13 1.971(4) . ?
Co2 C12 1.981(4) . ?
Co1* Co2* 2.485(3) . ?
Fe1 C6 2.010(4) . ?
Fe1 C1 2.012(4) . ?
Fe1 C7 2.019(4) . ?
Fe1 C2 2.023(4) . ?
Fe1 C5 2.031(4) . ?
Fe1 C10 2.034(4) . ?
Fe1 C3 2.059(4) . ?
Fe1 C8 2.063(4) . ?
Fe1 C9 2.069(4) . ?
Fe1 C4 2.072(4) . ?
Fe1 Si1 2.6913(11) . ?
Si1 C12 1.841(4) . ?
Si1 C11 1.851(4) . ?
Si1 C1 1.889(4) . ?
Si1 C6 1.892(4) . ?
O1 C20 1.142(5) . ?
O2 C21 1.135(5) . ?
O3 C22 1.137(5) . ?
O4 C23 1.141(5) . ?
O5 C24 1.145(5) . ?
O6 C25 1.146(5) . ?
C1 C5 1.443(5) . ?
C1 C2 1.454(6) . ?
C2 C3 1.421(5) . ?
C3 C4 1.409(6) . ?
C4 C5 1.422(6) . ?
C6 C7 1.448(6) . ?
C6 C10 1.453(5) . ?
C7 C8 1.429(5) . ?
C8 C9 1.420(6) . ?
C9 C10 1.412(6) . ?
C12 C13 1.334(5) . ?
C13 C14 1.471(5) . ?
C14 C15 1.394(5) . ?
C14 C19 1.399(5) . ?
C15 C16 1.386(6) . ?
C16 C17 1.378(6) . ?
C17 C18 1.386(6) . ?
C18 C19 1.388(6) . ?
