data_2310595
_publ_section_title
;
 The crystal structure of cyanogen chloride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              889
_journal_page_last               895
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'C Cl N'
_chemical_name_systematic        '(C N) Cl'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.684
_cell_length_b                   3.977
_cell_length_c                   5.74
_cell_volume                     129.754
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Heiart_ACCRA9_1956_211.cif
_cod_data_source_block           C1Cl1N1
_cod_original_cell_volume        129.7542
_cod_chemical_formula_sum_orig   'C1 Cl1 N1'
_cod_database_code               2310595
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-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
C1 C+4 0.25 0.25 0.4239 1 0.0
N1 N-3 0.25 0.25 0.6258 1 0.0
Cl1 Cl-1 0.25 0.25 0.1499 1 0.0
