Crystallography Open Database

Information card for entry 7240578

Preview

Coordinates	7240578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H80 O28 P4 V10
Calculated formula	C96 H80 O28 P4 V10
Title of publication	Selectivity switch in the aerobic oxygenation of sulfides photocatalysed by visible-light-responsive decavanadate
Authors of publication	Li, Chifeng; Mizuno, Noritaka; Murata, Kei; Ishii, Kazuyuki; Suenobu, Tomoyoshi; Yamaguchi, Kazuya; Suzuki, Kosuke
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	12
Pages of publication	3896 - 3905
a	12.2892 ± 0.0004 Å
b	20.1324 ± 0.0004 Å
c	18.9867 ± 0.0005 Å
α	90°
β	102.411 ± 0.003°
γ	90°
Cell volume	4587.7 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0796
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
257624 (current)	2020-10-06	cif/ Updating files of 7240578 Original log message: Adding full bibliography for 7240578.cif.	7240578.cif
253927	2020-07-06	cif/ Updating files of 7240578 Original log message: Adding full bibliography for 7240578.cif.	7240578.cif
252299	2020-05-23	cif/ Adding structures of 7240578 via cif-deposit CGI script.	7240578.cif