Crystallography Open Database

Information card for entry 7058147

Preview

Coordinates	7058147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Br8 N2 O2 Te
Calculated formula	C12 H18 Br8 N2 O2 Te
Title of publication	Thermochromism of bromotellurates(iv): experimental insights
Authors of publication	Shayapov, Vladimir R.; Usoltsev, Andrey N.; Adonin, Sergey A.; Sokolov, Maxim N.; Samsonenko, Denis G.; Fedin, Vladimir P.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	9
Pages of publication	3927
a	9.7234 ± 0.0005 Å
b	11.0724 ± 0.0005 Å
c	12.1082 ± 0.0007 Å
α	90°
β	109.028 ± 0.006°
γ	90°
Cell volume	1232.36 ± 0.12 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
224887 (current)	2019-11-08	cif/ Updating files of 7058143, 7058144, 7058145, 7058146, 7058147 Original log message: Adding full bibliography for 7058143--7058147.cif.	7058147.cif
213509	2019-02-06	cif/ Adding structures of 7058143, 7058144, 7058145, 7058146, 7058147 via cif-deposit CGI script.	7058147.cif