Crystallography Open Database

Information card for entry 4103157

Preview

Coordinates	4103157.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Xe F2 N2 O4
Formula	F2 N2 O4 Xe
Calculated formula	F2 N2 O4 Xe
SMILES	N(=O)[O-].[Xe](F)F.N(=O)[O-]
Title of publication	Xe3OF3+, a Precursor to a Noble-Gas Nitrate; Syntheses and Structural Characterizations of FXeONO2, XeF2.HNO3, and XeF2.N2O4
Authors of publication	Matthew D. Moran; David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13823 - 13839
a	4.5822 ± 0.0003 Å
b	5.0597 ± 0.0003 Å
c	6.2761 ± 0.0005 Å
α	79.17 ± 0.007°
β	88.454 ± 0.005°
γ	81.083 ± 0.005°
Cell volume	141.189 ± 0.017 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
178777 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/31.	4103157.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103157.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103157.cif
26112	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103157 via cif-deposit CGI script.	4103157.cif