Crystallography Open Database

Information card for entry 1557579

Preview

Coordinates	1557579.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tris(dimethylamino)Phosphanesulfide
Formula	C6 H18 N3 P S
Calculated formula	C6 N3 P S
SMILES	S=P(N(C)C)(N(C)C)N(C)C
Title of publication	Structural Characteristics of Three-Coordinate Arylhalide Tellurium(II) Complexes with Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II), Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II) and Tris(dimethylamino)Phosphanesulfide
Authors of publication	Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	759 - 774
a	8.347 ± 0.002 Å
b	11.369 ± 0.002 Å
c	11.26 ± 0.002 Å
α	90°
β	92.94 ± 0.03°
γ	90°
Cell volume	1067.1 ± 0.4 Å³
Ambient diffraction temperature	143 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249282 (current)	2020-03-11	cif/ Adding structures of 1557579 via cif-deposit CGI script.	1557579.cif