Crystallography Open Database

Information card for entry 1565975

Preview

Coordinates	1565975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C113 H252 F4 N6 O71 V24
Calculated formula	C113 H252 F4 N6 O71 V24
Title of publication	Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species
Authors of publication	Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	8
Pages of publication	2438 - 2445
a	15.755 ± 0.0003 Å
b	25.4335 ± 0.0004 Å
c	21.5604 ± 0.0004 Å
α	90°
β	92.253 ± 0.001°
γ	90°
Cell volume	8632.7 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0435
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274936 (current)	2022-05-05	cif/ Updating files of 1565975, 1565976, 1565977 Original log message: Adding full bibliography for 1565975--1565977.cif.	1565975.cif
272023	2022-01-14	cif/ Adding structures of 1565975, 1565976, 1565977 via cif-deposit CGI script.	1565975.cif