Crystallography Open Database

Information card for entry 4104434

Preview

Coordinates	4104434.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	F4 S N H2, As F6
Formula	As F10 H2 N S
Calculated formula	As F10 H2 N S
Title of publication	Solid-State and Solution Rearrangements of F3S\τbNXeF+ Leading to the F4S=NXe+ Cation; Syntheses, HF Solvolyses, and Structural Characterizations of [F4S=NXe][AsF6] and [F4S=NH2][AsF6]
Authors of publication	Gregory L. Smith; Hélène P. A. Mercier; Gary J. Schrobilgen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7272 - 7286
a	5.4447 ± 0.0006 Å
b	6.6457 ± 0.0007 Å
c	10.3063 ± 0.0011 Å
α	89.484 ± 0.009°
β	87.479 ± 0.007°
γ	74.955 ± 0.007°
Cell volume	359.79 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1335
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.418
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
178790 (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 4/10/44.	4104434.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104434.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104434.cif
29458	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104434 via cif-deposit CGI script.	4104434.cif