Crystallography Open Database

Information card for entry 7239886

Preview

Coordinates	7239886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Br2 Cl6 N2 Te
Calculated formula	C12 H16 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	9.2138 ± 0.0002 Å
b	9.2138 ± 0.0002 Å
c	25.0947 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2130.39 ± 0.09 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7239886.cif
250267	2020-04-05	cif/ Updating files of 7239884, 7239885, 7239886, 7239887 Original log message: Adding full bibliography for 7239884--7239887.cif.	7239886.cif
247929	2020-02-07	cif/ Adding structures of 7239884, 7239885, 7239886, 7239887 via cif-deposit CGI script.	7239886.cif