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#$Date: 2025-08-18 17:14:33 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301778 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538469.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_1538469
loop_
_publ_author_name
'Peyronel, G.'
_publ_section_title
;
 Sulla esavalenza coordinativa nelle ammine dei cupri-alogenuri
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              363
_journal_page_last               375
_journal_volume                  71
_journal_year                    1941
_chemical_formula_sum            'Br2 Cu H18 N6'
_chemical_name_systematic        '(Cu (N H3)6) Br2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3
_cell_length_b                   10.3
_cell_length_c                   10.3
_cell_volume                     1092.727
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Peyronel_GCITA9_1941_73.cif
_cod_data_source_block           H18Br2Cu1N6
_cod_original_formula_sum        'H18 Br2 Cu1 N6'
_cod_database_code               1538469
loop_
_symmetry_equiv_pos_as_xyz
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-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
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z,y,x
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z+1/2,-y+1/2,-x
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
_atom_site_attached_hydrogens
Cu1 Cu+2 0 0 0 1 0.0 0
Br1 Br-1 0.25 0.25 0.25 1 0.0 0
N1 N-3 0.23 0 0 1 0.0 3
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139047395
