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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/74/1537446.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_1537446
loop_
_publ_author_name
'Huttner, G.'
'Schelle, S.'
_publ_section_title
;
 Crystal and molecular structure of cis-dicarbonyl
 tetraphosphinechromium(0), ((C O)2 (P H3)4 Cr)
;
_journal_name_full               'Journal of Crystal and Molecular Structure'
_journal_page_first              69
_journal_page_last               74
_journal_volume                  1
_journal_year                    1971
_chemical_formula_sum            'C2 H12 Cr O2 P4'
_chemical_name_systematic        '((C O)2 (P H3)4 Cr)'
_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                 99.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.968
_cell_length_b                   11.98
_cell_length_c                   12.87
_cell_volume                     1058.667
_citation_journal_id_ASTM        JCMLB5
_cod_data_source_file            Huttner_JCMLB5_1971_1780.cif
_cod_data_source_block           C2H12Cr1O2P4
_cod_original_formula_sum        'C2 H12 Cr1 O2 P4'
_cod_database_code               1537446
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
P2 P-3 0.2874 0.0577 0.3656 1 0.0
Cr1 Cr 0 0.05692 0.25 1 0.0
C1 C+2 0.0944 -0.051 0.1732 1 0.0
O1 O-2 0.1507 -0.1232 0.1279 1 0.0
P1 P-3 0.1159 0.1944 0.1476 1 0.0
