Crystallography Open Database

Information card for entry 4336941

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Structure parameters

Formula	C16 H12 Cl2 Te
Calculated formula	C16 H12 Cl2 Te
SMILES	[Te]1(Cl)(Cl)C(=CC=C1c1ccccc1)c1ccccc1
Title of publication	Thermal and Photoreductive Elimination from the Tellurium Center of π-Conjugated Tellurophenes
Authors of publication	Elisa I. Carrera; Theresa M. McCormick; Marius J. Kapp; Alan J. Lough; Dwight S. Seferos
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13779 - 13790
a	7.4877 ± 0.0003 Å
b	21.0835 ± 0.0009 Å
c	9.3737 ± 0.0004 Å
α	90°
β	92.086 ± 0.002°
γ	90°
Cell volume	1478.82 ± 0.11 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336941.cif
179472	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 4/33/69.	4336941.cif
102995	2014-02-24	cif/ Adding structures of 4336941 via cif-deposit CGI script.	4336941.cif