Crystallography Open Database

Information card for entry 1518750

Preview

Coordinates	1518750.cif

Structure parameters

Formula	C8 H20 P2 S4 Se
Title of publication	A New Class of Structure for Selenium(II) Dithiocomplexes. The Trigonal Molecular Structure of Bis(diethyldithiophosphinato)selenium(II), [Se(S2PEt2)2].
Authors of publication	Canseco-Melchor, Graciela; Garcia-Montalvo, Veronica; Toscano, Ruben A.; Cea-Olivares, Raymundo
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	100 - 102
a	12.127 ± 0.001 Å
b	12.627 ± 0.001 Å
c	12.298 ± 0.002 Å
α	90°
β	116.4 ± 0.01°
γ	90°
Cell volume	1686.8 ± 0.4 Å³
Ambient diffraction temperature	293 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 significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.0611
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188511 (current)	2016-11-16	cif/1/51/87/ (saulius@koala.ibt.lt) Changing atom parameters to '?' to indicate that atomic coordinates for this entry are unknown.	1518750.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518750.cif
132130	2015-02-20	cif/ Adding structures of 1518750 via cif-deposit CGI script.	1518750.cif