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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/1/53/53/1535384.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_1535384
loop_
_publ_author_name
'Minkwitz, R.'
'Broechler, R.'
'Preut, H.'
_publ_section_title
;
 Fluorieren mit Trifluormethylhypochlorit C F3 O Cl, Darstellung und
 Kristallstrukturanalyse von Trifluormethyliodtetrafluorid C F3 I F4.
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1247
_journal_page_last               1250
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'C F7 I'
_chemical_name_systematic        '(C F3) (I F4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.65
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.622
_cell_length_b                   8.429
_cell_length_c                   8.564
_cell_volume                     542.416
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Minkwitz_ZAACAB_1995_1764.cif
_cod_data_source_block           C1F7I1
_cod_original_cell_volume        542.4161
_cod_original_formula_sum        'C1 F7 I1'
_cod_database_code               1535384
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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 0.327 -0.07 0.22 1 0.0
F2 F-1 0.491 -0.039 0.27 1 0.0
F4 F-1 -0.027 -0.045 0.2071 1 0.0
F3 F-1 0.3 -0.2109 0.267 1 0.0
F6 F-1 0.367 0.2058 0.3905 1 0.0
I1 I+3 0.14722 0.09976 0.31202 1 0.0
F1 F-1 0.296 -0.073 0.071 1 0.0
F7 F-1 0.142 0.2007 0.1124 1 0.0
F5 F-1 0.189 -0.0418 0.4908 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 550465
