Crystallography Open Database

Information card for entry 4305989

Preview

Coordinates	4305989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br F6 O2 Sb
Calculated formula	Br F6 O2 Sb
SMILES	[Br+](=O)=O.[F-][Sb](F)(F)(F)(F)F
Title of publication	Behavior of BrO3F and ClO3F Toward Strong Lewis Acids and the Characterization of [XO2][SbF6] (X = Cl, Br) by Single Crystal X-ray Diffraction, Raman Spectroscopy, and Computational Methods
Authors of publication	John F. Lehmann; Sebastian Riedel; Gary J. Schrobilgen
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8343 - 8356
a	7.2508 ± 0.0015 Å
b	5.7788 ± 0.0012 Å
c	10.045 ± 0.002 Å
α	90°
β	133.23 ± 0.03°
γ	90°
Cell volume	306.67 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0131
Residual factor for significantly intense reflections	0.013
Weighted residual factors for significantly intense reflections	0.0323
Weighted residual factors for all reflections included in the refinement	0.0323
Goodness-of-fit parameter for all reflections included in the refinement	1.399
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305989.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305989.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305989.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305989.cif