Crystallography Open Database

Information card for entry 1557702

Preview

Coordinates	1557702.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Di-mu-chlorobis{tetrachlorotellurate(IV)} catena-poly[(mu-chlorobis{pentachlorotellurate(IV)})-mu-iodine(I)] [C6H5(CH3)3N]4n[Te2Cl10]n[Te2Cl11.I]n
Formula	C36 H56 Cl21 I N4 Te4
Calculated formula	C36 Cl21 I N4 Te4
SMILES	[I-](Cl)Cl.[N+](C)(C)(C)c1ccccc1.[Te](Cl)(Cl)(Cl)(Cl)[Cl-].[Te](Cl)(Cl)(Cl)([Cl][Te](Cl)(Cl)(Cl)Cl)Cl.[N+](C)(C)(C)c1ccccc1.[N+](C)(C)(C)c1ccccc1.[N+](C)(C)(C)c1ccccc1.[Te](Cl)(Cl)([Cl-])(Cl)Cl
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	11.952 ± 0.001 Å
b	16.475 ± 0.002 Å
c	16.923 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3332.3 ± 0.6 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
249917 (current)	2020-04-01	cif/ Adding structures of 1557702 via cif-deposit CGI script.	1557702.cif