Crystallography Open Database

Information card for entry 4328465

Preview

Coordinates	4328465.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(1,2-bis(ethylthiomethyl)benzene)tetrakis(trichloroindium(III)) dichloromethane solvate
Formula	C38 H58 Cl16 In4 S6
Calculated formula	C38 H58 Cl16 In4 S6
SMILES	CC[S]1Cc2ccccc2C[S](CC)[In]23([S](CC)Cc4c(C[S](CC)[In]56([S](Cc7c(C[S]([In]81(Cl)(Cl)[Cl][In]([Cl]2)([Cl]8)([Cl]5)([Cl]3)[Cl]6)CC)cccc7)CC)(Cl)Cl)cccc4)(Cl)Cl.C(Cl)Cl.C(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	24.016 ± 0.005 Å
b	18.726 ± 0.005 Å
c	14.995 ± 0.004 Å
α	90°
β	114.76 ± 0.02°
γ	90°
Cell volume	6124 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	4328465.cif
77431	2013-03-26	cif/ Adding structures of 4328465 via cif-deposit CGI script.	4328465.cif