Crystallography Open Database

Information card for entry 4308059

Preview

Coordinates	4308059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 S2
Calculated formula	C22 H18 S2
Title of publication	Preparation and Isolation of Dithiolene Thiophosphoryl Molecules as Stable, Protected Forms of Dithiolene Ligands
Authors of publication	Kuppuswamy Arumugam; James E. Bollinger; Mark Fink; James P. Donahue
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3283 - 3288
a	7.5963 ± 0.0017 Å
b	5.8631 ± 0.0014 Å
c	19.351 ± 0.005 Å
α	90°
β	100.079 ± 0.004°
γ	90°
Cell volume	848.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179118 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/80.	4308059.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308059.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308059.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308059.cif