Crystallography Open Database

Information card for entry 1557701

Preview

Coordinates	1557701.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine] [C6H5(CH3)3N]2n[Te2Cl10.Br2]n
Formula	C18 H28 Br2 Cl10 N2 Te2
Calculated formula	C18 Br2 Cl10 N2 Te2
SMILES	[N+](C)(c1ccccc1)(C)C.BrBr.[Te]1(Cl)(Cl)(Cl)(Cl)[Cl][Te](Cl)(Cl)(Cl)(Cl)[Cl]1.[N+](C)(C)(C)c1ccccc1
Title of publication	Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexachlorotellurate(IV), [C6H5(CH3)3N]2[TeCl6], catena-poly[(Di-mu-chlorobis{tetrachlorotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Te2Cl10.Br2]n and Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)], [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n
Authors of publication	Hauge, Sverre; Maroy, Kjartan
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	1095 - 1101
a	8.672 ± 0.001 Å
b	8.785 ± 0.001 Å
c	11.565 ± 0.001 Å
α	95.93 ± 0.02°
β	103.27 ± 0.02°
γ	90.44 ± 0.02°
Cell volume	852.5 ± 0.18 Å³
Ambient diffraction temperature	293 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 significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.034
Goodness-of-fit parameter for all reflections included in the refinement	1.569
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
249916 (current)	2020-04-01	cif/ Adding structures of 1557701 via cif-deposit CGI script.	1557701.cif