#------------------------------------------------------------------------------
#$Date: 2025-08-19 11:35:14 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301801 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020147.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_2020147
loop_
_publ_author_name
'Tebbe, K. F.'
_publ_section_title
;
 Untersuchungen an Polyhalogeniden. 6. Hexaammincobalt(III)heptaiodid, (Co
 (N H3)6) I3 I4
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              154
_journal_page_last               159
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Co H18 I7 N6'
_chemical_name_systematic        '(Co (N H3)6) I3 (I2)2'
_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                 123.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.712
_cell_length_b                   7.772
_cell_length_c                   9.732
_cell_volume                     993.510
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Tebbe_ACSCEE_1983_175.cif
_cod_data_source_block           H18Co1I7N6
_cod_original_cell_volume        993.5097
_cod_original_formula_sum        'H18 Co1 I7 N6'
_cod_database_code               2020147
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
_atom_site_attached_hydrogens
N1 N-3 0.3585 0 0.4478 1 0.0 3
I1 I 0 0 0 1 0.0 0
I2 I 0.18662 0 0.00267 1 0.0 0
N2 N-3 0.4577 0.1799 0.3306 1 0.0 3
Co1 Co+3 0.5 0 0.5 1 0.0 0
I3 I 0.83896 0 0.46737 1 0.0 0
I4 I 0.60238 0 0.12901 1 0.0 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168308011
