Crystallography Open Database

Information card for entry 4306550

Preview

Coordinates	4306550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Cl4 Ga N S Se
Calculated formula	C6 H4 Cl4 Ga N S Se
SMILES	[Ga](Cl)([Cl-])(Cl)Cl.[Se+]1=Nc2c(S1)cccc2
Title of publication	Heavy Atom Analogues of 1,2,3-Dithiazolylium Salts: Preparation, Structures and Redox Chemistry
Authors of publication	Maarit Risto; Abdeljalil Assoud; Stephen M. Winter; Raija Oilunkaniemi; Risto S. Laitinen; Richard T. Oakley
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10100 - 10109
a	7.4587 ± 0.0003 Å
b	10.2322 ± 0.0004 Å
c	17.0845 ± 0.0007 Å
α	90°
β	94.445 ± 0.001°
γ	90°
Cell volume	1299.95 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0577
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
179103 (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 4/30/65.	4306550.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306550.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306550.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306550.cif