Crystallography Open Database

Information card for entry 4323135

Preview

Coordinates	4323135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H43 Cl2 In N4 S3
Calculated formula	C24 H43 Cl2 In N4 S3
SMILES	[In](SC(C)C)(SC(C)C)(SC(C)C)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.C(Cl)Cl
Title of publication	Indium Tris(alkylthiolate) Compounds
Authors of publication	Seigi Suh; David M. Hoffman
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	5823 - 5826
a	10.62 ± 0.001 Å
b	11.568 ± 0.001 Å
c	14.892 ± 0.002 Å
α	79.54 ± 0.01°
β	75.88 ± 0.01°
γ	66.08 ± 0.01°
Cell volume	1614.8 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179334 (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 4/32/31.	4323135.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323135.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323135.cif
22097	2011-07-02	../uploads/cif-deposit/cod/cif Adding structures of 4323135 via cif-deposit CGI script.	4323135.cif