Crystallography Open Database

Information card for entry 4316067

Preview

Coordinates	4316067.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Br O F2 (As F6)
Formula	As Br F8 O
Calculated formula	As Br F8.01 O0.99
Title of publication	XeF2 Coordination to a Halogen Center; Raman Spectra (n= 1, 2) and X-ray Crystal Structures (n= 2) of [BrOF2][AsF6].nXeF2 and [XOF2][AsF6] (X = Cl, Br)
Authors of publication	David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6673 - 6689
a	8.6144 ± 0.0003 Å
b	8.6144 ± 0.0003 Å
c	8.6144 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	639.26 ± 0.04 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.698
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
179240 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/60.	4316067.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316067.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316067.cif
9242	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316067 via cif-deposit CGI script.	4316067.cif