Crystallography Open Database

Information card for entry 7115183

Preview

Coordinates	7115183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 As F15 N2 S
Calculated formula	C14 As F15 N2 S
SMILES	s1[n](c(nc1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)[As](F)(F)(F)(F)F
Title of publication	Oxidation of methyl groups in the reaction of sulfur homopolyatomic cations with acetonitrile: formation and crystal structure of the novel trithietanylium ring
Authors of publication	Stanley Cameron, T.; Decken, Andreas; Fang, Min; Passmore, Jack; Wood, Dale J.; Parsons, Simon
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	18
Pages of publication	1801
a	11.967 ± 0.004 Å
b	12.268 ± 0.004 Å
c	24.076 ± 0.005 Å
α	90°
β	96.66 ± 0.03°
γ	90°
Cell volume	3510.8 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1347
Goodness-of-fit parameter for significantly intense reflections	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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