Crystallography Open Database

Information card for entry 4323134

Preview

Coordinates	4323134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H32 In N S3
Calculated formula	C17 H32 In N S3
SMILES	[In](SC(C)(C)C)(SC(C)(C)C)(SC(C)(C)C)[n]1ccccc1
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	10.149 ± 0.0005 Å
b	24.3811 ± 0.0013 Å
c	18.8484 ± 0.001 Å
α	90°
β	104.81 ± 0.001°
γ	90°
Cell volume	4509 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0221
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	4323134.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323134.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323134.cif
22096	2011-07-02	../uploads/cif-deposit/cod/cif Adding structures of 4323134 via cif-deposit CGI script.	4323134.cif