Crystallography Open Database

Information card for entry 4328461

Preview

Coordinates	4328461.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1'-bi-1,5-diselenocan-1-ium bis(tetrachlorogallate(III))
Formula	C12 H24 Cl8 Ga2 Se4
Calculated formula	C12 H24 Cl8 Ga2 Se4
SMILES	C1CC[Se](CCC[Se]1)[Se]1CCC[Se]CCC1.Cl[Ga](Cl)(Cl)[Cl-].Cl[Ga](Cl)(Cl)[Cl-]
Title of publication	Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands
Authors of publication	Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2231 - 2240
a	9.0156 ± 0.0015 Å
b	14.148 ± 0.003 Å
c	10.4855 ± 0.0015 Å
α	90°
β	99.204 ± 0.01°
γ	90°
Cell volume	1320.2 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0355
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328461.cif
77427	2013-03-26	cif/ Adding structures of 4328461 via cif-deposit CGI script.	4328461.cif