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#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534564.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_1534564
loop_
_publ_author_name
'Liao, W.'
'Dronskowski, R.'
_publ_section_title
;
 Carbodiimides with extended structures by an azide-cyanide route:
 synthesis and crystal structure of M2 Cl2 N C N (M = Eu and Sr)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              496
_journal_page_last               498
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'C Cl2 N2 Sr2'
_chemical_name_systematic        'Sr2 Cl2 N C N'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.839
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6225
_cell_length_b                   4.2508
_cell_length_c                   7.2498
_cell_volume                     293.770
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Liao_ZAACAB_2005_881.cif
_cod_data_source_block           C1Cl2N2Sr2
_cod_original_cell_volume        293.7698
_cod_original_formula_sum        'C1 Cl2 N2 Sr2'
_cod_database_code               1534564
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
N1 N-3 0.1156 0 0.4458 1 0.0
C1 C+4 0 0 0.5 1 0.0
Cl1 Cl-1 0.37041 0 0.14827 1 0.0
Sr1 Sr+2 0.31766 0 0.72921 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139046966
