Crystallography Open Database

Information card for entry 1536694

Preview

Coordinates	1536694.cif

Structure parameters

Formula	Cl F3 O
Calculated formula	Cl F3 O
Title of publication	The crystal structures of ClF~3~O, BrF~3~O and [NO]^+^[BrF~4~O]^-^
Authors of publication	Ellern, Arkady; Boatz, Jerry A.; Christe, Karl O.; Drews, Thomas; Seppelt, Konrad
Journal of publication	Zeitschrift für anorganische und allgemeine Chemie
Year of publication	2002
Journal volume	628
Pages of publication	1991 - 1999
a	9.8259 ± 0.0016 Å
b	12.2959 ± 0.0016 Å
c	4.9008 ± 0.0007 Å
α	90°
β	90.338 ± 0.004°
γ	90°
Cell volume	592.096 Å³
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	1536694.cif
210886	2018-09-12	cif/1/53/66/ Correcting the journal name in entries 1536691, 1536694, 1536696.	1536694.cif
209014	2018-07-13	cif/1/53/66/ Updating the bibliography, correcting the atomic coordinates and adding proper isotropic displacement parameter values in entries 1536691, 1536694, 1536696 after consulting the original publication.	1536694.cif
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1536694.cif
164511	2015-10-10	cif/ Adding structures of 1536694 via cif-deposit CGI script.	1536694.cif