Crystallography Open Database

Information card for entry 1557578

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Coordinates	1557578.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bromophenyl[tris(dimethylamino)phosphaneselenide]tellurium(II)
Formula	C12 H23 Br N3 P Se Te
Calculated formula	C12 Br N3 P Se Te
SMILES	[Te](Br)([Se]=P(N(C)C)(N(C)C)N(C)C)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	9.718 ± 0.002 Å
b	17.043 ± 0.003 Å
c	11.983 ± 0.002 Å
α	90°
β	105.83 ± 0.03°
γ	90°
Cell volume	1909.4 ± 0.7 Å³
Ambient diffraction temperature	293 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	0.0615
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
249281 (current)	2020-03-11	cif/ Adding structures of 1557578 via cif-deposit CGI script.	1557578.cif