Crystallography Open Database

Information card for entry 4103155

Preview

Coordinates	4103155.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	F Xe O N O2
Formula	F N O3 Xe
Calculated formula	F N O3 Xe
SMILES	[Xe](F)ON(=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	4.6663 ± 0.0004 Å
b	8.7995 ± 0.0007 Å
c	9.4153 ± 0.0008 Å
α	90°
β	90.325 ± 0.005°
γ	90°
Cell volume	386.6 ± 0.06 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.755
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.	4103155.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103155.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103155.cif
26110	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103155 via cif-deposit CGI script.	4103155.cif