Crystallography Open Database

Information card for entry 4318447

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Structure parameters

Formula	C4 H14 Cl2 N2 S2 Te
Calculated formula	C4 H14 Cl2 N2 S2 Te
SMILES	[Te](SCC[NH3+])SCC[NH3+].[Cl-].[Cl-]
Title of publication	Conformation versus Coordination: Synthesis and Structural Investigations of Tellurium(II) Dithiolates Derived from β-Donor-Substituted Thiols
Authors of publication	Holger Fleischer; Dieter Schollmeyer
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4739 - 4747
a	4.8378 ± 0.0005 Å
b	11.0918 ± 0.0012 Å
c	12.7061 ± 0.0014 Å
α	114.478 ± 0.002°
β	96.877 ± 0.002°
γ	91.624 ± 0.002°
Cell volume	613.77 ± 0.11 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.04
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4318447.cif
179264	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/84.	4318447.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318447.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318447.cif
15161	2011-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4318447 via cif-deposit CGI script.	4318447.cif