Crystallography Open Database

Information card for entry 7052404

Preview

Coordinates	7052404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 S8
Calculated formula	C6 S8
SMILES	S=C1SSC2=C1SC1=C(S2)C(=S)SS1
Title of publication	Bent and planar molecules in polymorphs of the tricyclic carbon sulfide C6S8
Authors of publication	Beck, Johannes; Weber, Johannes; Mukhopadhyay, Atashi Basu; Dolg, Michael
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	3
Pages of publication	465
a	11.9524 ± 0.0008 Å
b	11.9524 ± 0.0008 Å
c	7.6116 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1087.39 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180078 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/24.	7052404.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052404.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052404.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7052404.cif