Crystallography Open Database

Information card for entry 4322179

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Structure parameters

Chemical name	Bis(phenylthiolato)tellurium
Formula	C12 H10 S2 Te
Calculated formula	C12 H10 S2 Te
SMILES	c1(ccccc1)S[Te]Sc1ccccc1
Title of publication	Experimental Investigations and Ab Initio Studies of Tellurium(II) Dithiolates, Te(SR)2
Authors of publication	Holger Fleischer; Sandra Stauf; Dieter Schollmeyer
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3725 - 3729
a	15.598 ± 0.003 Å
b	10.44 ± 0.002 Å
c	7.533 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1226.7 ± 0.6 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	194 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4322179.cif
179324	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 4/32/21.	4322179.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322179.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322179.cif
20438	2011-06-07	../uploads/cif-deposit/cod/cif Adding structures of 4322179 via cif-deposit CGI script.	4322179.cif