Crystallography Open Database

Information card for entry 4322181

Preview

Coordinates	4322181.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(terbutylthiolato)tellurium
Formula	C8 H18 S2 Te
Calculated formula	C8 H18 S2 Te
SMILES	C(C)(C)(S[Te]SC(C)(C)C)C
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	16.013 ± 0.002 Å
b	10.135 ± 0.002 Å
c	9.037 ± 0.002 Å
α	90°
β	122.61 ± 0.01°
γ	90 ± 0.001°
Cell volume	1235.4 ± 0.4 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	4
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	0.0192
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179324 (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 4/32/21.	4322181.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322181.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322181.cif
20440	2011-06-07	../uploads/cif-deposit/cod/cif Adding structures of 4322181 via cif-deposit CGI script.	4322181.cif