Crystallography Open Database

Information card for entry 4109206

Preview

Coordinates	4109206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 F2 N O Xe
Calculated formula	C2 H3 F2 N O Xe
SMILES	[Xe](=O)(F)F.N#CC
Title of publication	XeOF2, F2OXeN\τbCCH3, and XeOF2.nHF: Rare Examples of Xe(IV) Oxide Fluorides
Authors of publication	David S. Brock; Vural Bilir; Hélène P. A. Mercier; Gary J. Schrobilgen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3598 - 3611
a	8.7819 ± 0.0004 Å
b	13.9862 ± 0.0006 Å
c	11.0182 ± 0.0006 Å
α	90°
β	128.476 ± 0.002°
γ	90°
Cell volume	1059.47 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0428
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.4
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
178838 (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 4/10/92.	4109206.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109206.cif
57961	2012-05-23	cif/ Adding structures of 4109206 via cif-deposit CGI script.	4109206.cif