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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/7/22/14/7221471.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_7221471
loop_
_publ_author_name
'Deflon, V.M.'
'de Sousa Lopes, C.C.'
'Bessler, K.E.'
'Niquet, E.'
'Romualdo, L.L.'
_publ_section_title
;
 Preparation, characterization and crystal structure of lead(II)
 tricyanomethanide
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              33
_journal_page_last               36
_journal_volume                  61
_journal_year                    2006
_chemical_formula_sum            'C8 N6 Pb'
_chemical_name_systematic        'Pb (C (C N)3)2'
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.144
_cell_length_b                   14.144
_cell_length_c                   4.0902
_cell_volume                     708.630
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Deflon_ZNBSEN_2006_799.cif
_cod_data_source_block           C8N6Pb1
_cod_original_cell_volume        708.6302
_cod_original_formula_sum        'C8 N6 Pb1'
_cod_database_code               7221471
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z
-x,-x+y,z
x-y,-y,z
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+2 0.3761 0.3761 1.223 1 0.0
N4 N-3 -0.1786 0.2801 -0.4004 1 0.0
C6 C+2 -0.0998 0.2824 -0.3242 1 0.0
Pb1 Pb+2 0 0 0.46376 1 0.0
Pb2 Pb+2 0.6667 0.3333 0.62405 1 0.0
N3 N-3 0 0.1272 0.0265 1 0.0
N1 N-3 0.2071 0.2071 1.449 1 0.0
C5 C+2 0 0.2028 -0.085 1 0.0
C4 C+2 0 0.2893 -0.238 1 0.0
C2 C+2 0.2812 0.2812 1.349 1 0.0
C3 C+2 0.4731 0.3741 1.156 1 0.0
N2 N-3 0.5517 0.371 1.1048 1 0.0
