Crystallography Open Database

Information card for entry 7240710

Preview

Coordinates	7240710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu2 H80 Na12 O78 Te2 W8
Calculated formula	Cu2 Na12 O78 Te2 W8
Title of publication	Copper(ii)-containing tungstotellurates(vi): syntheses, structures and their catalytic performances in selective oxidation of thioethers
Authors of publication	Li, Xuanyao; Li, Peihe; Liu, Jinghai; Lin, Zhengguo; Hu, Changwen
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	38
Pages of publication	22515 - 22521
a	13.6212 ± 0.0015 Å
b	16.7386 ± 0.0019 Å
c	17.399 ± 0.002 Å
α	95.705 ± 0.003°
β	103.882 ± 0.003°
γ	112.109 ± 0.003°
Cell volume	3487.7 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
258137 (current)	2020-10-06	cif/ Updating files of 7240710, 7240711 Original log message: Adding full bibliography for 7240710--7240711.cif.	7240710.cif
253144	2020-06-13	cif/ Adding structures of 7240710, 7240711 via cif-deposit CGI script.	7240710.cif