Crystallography Open Database

Information card for entry 1557577

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Coordinates	1557577.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II)
Formula	C14 H12 Br N S Se Te
Calculated formula	C14 Br N S Se Te
SMILES	[Te](Br)(=[Se]=C1Sc2c(N1C)cccc2)c1ccccc1
Title of publication	Structural Characteristics of Three-Coordinate Arylhalide Tellurium(II) Complexes with Chalcogen Ligands. Synthesis, Spectroscopic Characterization and X-Ray Structural Studies of Bromo[N-methylbenzothiazole-2(3H)-selone]phenyltellurium(II), Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II) and Tris(dimethylamino)Phosphanesulfide
Authors of publication	Rudd, Martin D.; Lindeman, Sergey V.; Husebye, Steinar
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	759 - 774
a	9.728 ± 0.001 Å
b	19.192 ± 0.004 Å
c	17.099 ± 0.003 Å
α	90°
β	105.12 ± 0.01°
γ	90°
Cell volume	3081.9 ± 0.9 Å³
Ambient diffraction temperature	143 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
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
249280 (current)	2020-03-11	cif/ Adding structures of 1557577 via cif-deposit CGI script.	1557577.cif