Crystallography Open Database

Information card for entry 7111653

Preview

Coordinates	7111653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 N2 P2 S7
Calculated formula	C10 H10 N2 P2 S7
SMILES	P(SSSP(=S)([S-])[n+]1ccccc1)(=S)([S-])[n+]1ccccc1
Title of publication	py2P2S7: a bis(pyridine)adduct stabilized phosphorus sulfide
Authors of publication	Rotter, Christiane; Evangelisti, Camilla; Schönberger, Stefanie; Klapötke, Thomas M.; Karaghiosoff, Konstantin
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	5024 - 5025
a	13 ± 0.003 Å
b	8.0185 ± 0.0016 Å
c	17.332 ± 0.004 Å
α	90°
β	97.68 ± 0.03°
γ	90°
Cell volume	1790.5 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0755
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7111653.cif
96717	2014-01-29	cif/ Adding structures of 7111653 via cif-deposit CGI script.	7111653.cif