#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310796.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310796
loop_
_publ_author_name
'Cavalca, L.'
'Fava, G.'
'Nardelli, M.'
_publ_section_title
;
 The crystal structure of bis-biuret-cadmium chloride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              594
_journal_page_last               600
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'C4 H10 Cd Cl2 N6 O4'
_chemical_name_systematic        '(C2 H5 N3 O2)2 Cd Cl2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.704
_cell_length_b                   19.96
_cell_length_c                   8.2
_cell_volume                     565.595
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cavalca_ACCRA9_1960_1000.cif
_cod_data_source_block           C4H10Cd1Cl2N6O4
_cod_original_cell_volume        565.5947
_cod_original_formula_sum        'C4 H10 Cd1 Cl2 N6 O4'
_cod_database_code               2310796
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_occupancy
_atom_site_U_iso_or_equiv
Cd1 Cd+2 0 0 0 1 0.0
O1 O-2 0.104 0.105 0.135 1 0.0
O2 O-2 0.842 0.214 0.543 1 0.0
Cl1 Cl-1 0.3234 0.0446 -0.2053 1 0.0
N2 N-3 0.354 0.197 0.284 1 0.0
N3 N-3 0.51 0.304 0.393 1 0.0
N1 N-3 0.572 0.092 0.4 1 0.0
C1 C+4 0.337 0.13 0.268 1 0.0
C2 C+4 0.579 0.238 0.41 1 0.0
