Crystallography Open Database

Information card for entry 4331529

Preview

Coordinates	4331529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 As F11 N S3
Calculated formula	C3 As F11 N S3
SMILES	C1(=NSSS1)C(C(F)(F)F)(F)F.[As](F)(F)(F)(F)(F)[F-]
Title of publication	Toward a More General Synthetic Route to Paramagnetic Solids Containing RCNSSS•+Radical Cations. A Structure−Property Correlation for RCNSSS•+(R = F5C2, Cl3C)
Authors of publication	Decken, Andreas; Mattar, Saba M.; Passmore, Jack; Shuvaev, Konstantin V.; Thompson, Laurence K.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	3878 - 3886
a	15.112 ± 0.003 Å
b	5.8204 ± 0.0012 Å
c	14.503 ± 0.003 Å
α	90°
β	112.439 ± 0.003°
γ	90°
Cell volume	1179.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.064
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.2205
Weighted residual factors for all reflections included in the refinement	0.2224
Goodness-of-fit parameter for all reflections included in the refinement	1.321
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331529.cif
97685	2014-01-29	cif/ Adding structures of 4331529 via cif-deposit CGI script.	4331529.cif