Crystallography Open Database

Information card for entry 7239884

Preview

Coordinates	7239884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H20 Br2 Cl6 N2 Te
Calculated formula	C6 H20 Br2 Cl6 N2 Te
Title of publication	Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogen⋯halogen interactions in crystalline phases
Authors of publication	Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	11
Pages of publication	1985 - 1990
a	16.2697 ± 0.001 Å
b	9.5846 ± 0.0005 Å
c	13.562 ± 0.0009 Å
α	90°
β	111.878 ± 0.007°
γ	90°
Cell volume	1962.5 ± 0.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257483 (current)	2020-10-06	cif/ Updating files of 7239884, 7239885, 7239886, 7239887 Original log message: Adding full bibliography for 7239884--7239887.cif.	7239884.cif
250267	2020-04-05	cif/ Updating files of 7239884, 7239885, 7239886, 7239887 Original log message: Adding full bibliography for 7239884--7239887.cif.	7239884.cif
247929	2020-02-07	cif/ Adding structures of 7239884, 7239885, 7239886, 7239887 via cif-deposit CGI script.	7239884.cif