Crystallography Open Database

Information card for entry 4316068

Preview

Coordinates	4316068.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cl O F2 (As F6)
Formula	As Cl F8 O
Calculated formula	As Cl F8 O
SMILES	[As](F)(F)(F)(F)(F)[F-].[Cl+](=O)(F)F
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	14.686 ± 0.0016 Å
b	5.2072 ± 0.0006 Å
c	8.107 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	619.97 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4316068.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316068.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316068.cif
9243	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316068 via cif-deposit CGI script.	4316068.cif