Crystallography Open Database

Information card for entry 4332953

Preview

Coordinates	4332953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Cl In N2 S2
Calculated formula	C8 H20 Cl In N2 S2
SMILES	[In]12(Cl)(SCC[N]1(C)C)SCC[N]2(C)C
Title of publication	Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)
Authors of publication	Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	20
Pages of publication	8423 - 8429
a	10.515 ± 0.0002 Å
b	9.619 ± 0.0002 Å
c	13.677 ± 0.0003 Å
α	90°
β	94.116 ± 0.0008°
γ	90°
Cell volume	1379.78 ± 0.05 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
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	0.0411
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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
179432 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/29.	4332953.cif
98666	2014-01-30	cif/ Adding structures of 4332953, 4332954, 4332955, 4332956 via cif-deposit CGI script.	4332953.cif