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#$Date: 2015-10-14 14:43:57 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168536 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/16/4031691.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_4031691
loop_
_publ_author_name
'Anema, S.G.'
'Nicholson, B.K.'
'Audett, J.A.'
'MacKay, K.M.'
_publ_section_title
;
 Transition-metal carbonyl derivatives of the germanes. Part 17.
 Tetracarbonylgermyl(trimethylgermyl)iron, its conversion into ((Fe (C O)4
 (Ge H2))2), and hence to (Co4 Fe2 Ge2 (C O)21) via (Co4 Fe2 Ge2 (C O)22)
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2629
_journal_page_last               2634
_journal_volume                  1988
_journal_year                    1988
_chemical_formula_sum            'C21 Co4 Fe2 Ge2 O21'
_chemical_name_systematic        '((C O)7 Co2 Ge) (C O)7 Fe2 (Ge Co2 (C O)7)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.41
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   38.59698
_cell_length_b                   9.257
_cell_length_c                   19.12099
_cell_volume                     6518.805
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Anema_JCDTBI_1988_1408.cif
_cod_data_source_block           C21Co4Fe2Ge2O21
_cod_database_code               4031691
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
-x+1/2,-y+1/2,-z
x+1/2,-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_occupancy
_atom_site_U_iso_or_equiv
Co4 Co 0.1938 0.2124 -0.244 1 0.0
C12 C+2 0.1722 0.201 -0.0038 1 0.0
O15 O-2 0.1978 -0.1905 -0.2972 1 0.0
C3 C+2 0.0179 0.3423 -0.0851 1 0.0
C4 C+2 0.0516 -0.0297 0.026 1 0.0
Ge2 Ge 0.1553 0.2163 -0.1661 1 0.0
C17 C+2 0.1912 -0.0722 -0.1223 1 0.0
O8 O-2 0.0465 0.5797 -0.1812 1 0.0
O20 O-2 0.1959 0.5231 -0.233 1 0.0
C14 C+2 0.1393 0.5118 -0.1231 1 0.0
O2 O-2 0.0817 0.6191 0.0168 1 0.0
Fe2 Fe 0.1586 0.3521 -0.0574 1 0.0
O11 O-2 0.16 0.528 0.0686 1 0.0
C2 C+2 0.0728 0.4968 0.0145 1 0.0
O18 O-2 0.229 0.174 -0.3583 1 0.0
C15 C+2 0.1845 -0.1232 -0.2598 1 0.0
O5 O-2 0.0191 -0.0052 -0.1678 1 0.0
O19 O-2 0.2576 0.1309 -0.1227 1 0.0
Ge1 Ge 0.0968 0.2691 -0.073 1 0.0
C1 C+2 0.0306 0.3133 0.0596 1 0.0
O14 O-2 0.1452 0.6386 -0.1253 1 0.0
Co1 Co 0.056 0.322 -0.0044 1 0.0
C18 C+2 0.2151 0.1922 -0.3122 1 0.0
O6 O-2 0.1327 -0.1297 -0.0219 1 0.0
C21 C+2 0.1503 0.1437 -0.3061 1 0.0
O4 O-2 0.0382 -0.0966 0.0619 1 0.0
O7 O-2 0.1141 0.194 0.1134 1 0.0
C20 C+2 0.1953 0.4015 -0.2373 1 0.0
O1 O-2 0.014 0.2909 0.1006 1 0.0
C8 C+2 0.07 0.4968 -0.1785 1 0.0
O12 O-2 0.1846 0.1014 0.0358 1 0.0
C9 C+2 0.0768 0.2341 -0.2269 1 0.0
C5 C+2 0.0418 0.0266 -0.1127 1 0.0
O3 O-2 -0.0051 0.3528 -0.1399 1 0.0
C10 C+2 0.1113 0.4452 -0.2566 1 0.0
O9 O-2 0.0578 0.1433 -0.263 1 0.0
O17 O-2 0.2081 -0.1228 -0.0638 1 0.0
Fe1 Fe 0.1034 0.3731 -0.1813 1 0.0
Co2 Co 0.0738 0.0674 -0.0268 1 0.0
C6 C+2 0.1084 -0.0448 -0.028 1 0.0
O10 O-2 0.1115 0.502 -0.3147 1 0.0
C13 C+2 0.2015 0.409 -0.0586 1 0.0
C11 C+2 0.1581 0.4618 0.0165 1 0.0
O13 O-2 0.2315 0.436 -0.0526 1 0.0
C7 C+2 0.0919 0.1965 0.0549 1 0.0
C19 C+2 0.2317 0.1548 -0.1669 1 0.0
Co3 Co 0.1667 -0.0081 -0.2071 1 0.0
O16 O-2 0.0949 -0.1336 -0.2338 1 0.0
O21 O-2 0.1265 0.1559 -0.3575 1 0.0
C16 C+2 0.1228 -0.0797 -0.2238 1 0.0
