Crystallography Open Database

Information card for entry 7058143

Preview

Coordinates	7058143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20.5 Br6 N2 O0.25 Te
Calculated formula	C14 H20 Br6 N2 O0.25 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	15.3224 ± 0.0004 Å
b	13.0117 ± 0.0004 Å
c	23.4808 ± 0.0007 Å
α	90°
β	94.188 ± 0.003°
γ	90°
Cell volume	4668.9 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.233
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7058143.cif
213509	2019-02-06	cif/ Adding structures of 7058143, 7058144, 7058145, 7058146, 7058147 via cif-deposit CGI script.	7058143.cif