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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107418.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_2107418
loop_
_publ_author_name
'Birker, P.J.M.W.L.'
'Freeman, H.C.'
'Guss, J.M.'
'Watson, A.D.'
_publ_section_title
;
 Bis(biuret)mercury(II) Dichloride
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              182
_journal_page_last               184
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'C4 H10 Cl2 Hg N6 O4'
_chemical_name_systematic        'Hg (N H2 C O N H C O N H2)2 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                 110.2
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.84
_cell_length_b                   18.394
_cell_length_c                   9.01
_cell_volume                     597.260
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Birker_ACBCAR_1977_1739.cif
_cod_data_source_block           C4H10Cl2Hg1N6O4
_cod_original_cell_volume        597.2597
_cod_original_formula_sum        'C4 H10 Cl2 Hg1 N6 O4'
_cod_database_code               2107418
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
C1 C+4 -0.204 -0.127 0.255 1 0.0
N1 N-3 -0.205 -0.0949 0.385 1 0.0
O2 O-2 0.144 -0.2163 0.527 1 0.0
Hg1 Hg+2 0 0 0 1 0.0
C2 C+4 0.151 -0.2343 0.397 1 0.0
O1 O-2 -0.367 -0.101 0.118 1 0.0
N3 N-3 0.314 -0.294 0.368 1 0.0
Cl1 Cl-1 0.254 0.0553 0.2431 1 0.0
N2 N-3 -0.02 -0.1923 0.262 1 0.0
