Crystallography Open Database

Information card for entry 4328463

Preview

Coordinates	4328463.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2-phenylenebis[(chloromethyl)(methyl)sulfonium] bis(tetrachlorogallate(III))
Formula	C10 H14 Cl10 Ga2 S2
Calculated formula	C10 H14 Cl10 Ga2 S2
SMILES	[Ga](Cl)(Cl)(Cl)[Cl-].[Ga](Cl)(Cl)([Cl-])Cl.ClC[S+](C)c1ccccc1[S+](CCl)C
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	9.4813 ± 0.0015 Å
b	14.009 ± 0.003 Å
c	18.403 ± 0.003 Å
α	90°
β	104.377 ± 0.01°
γ	90°
Cell volume	2367.8 ± 0.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4328463.cif
77429	2013-03-26	cif/ Adding structures of 4328463 via cif-deposit CGI script.	4328463.cif