Crystallography Open Database

Information card for entry 1570590

Preview

Coordinates	1570590.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rubidium tetraperoxovanadate
Chemical name	Rubidium tetraperoxovanadate dihydroperoxo hydrate
Formula	O13 Rb3 V
Calculated formula	O13 Rb3 V
Title of publication	Implementing vanadium peroxides as direct air carbon capture materials.
Authors of publication	Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	5
Pages of publication	1700 - 1713
a	6.8447 ± 0.0002 Å
b	23.2894 ± 0.0005 Å
c	7.8276 ± 0.0002 Å
α	90°
β	112.399 ± 0.003°
γ	90°
Cell volume	1153.65 ± 0.06 Å³
Cell temperature	229.99 ± 0.1 K
Ambient diffraction temperature	230.15 K
Number of distinct elements	3
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	0.0583
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289399 (current)	2024-02-04	cif/ Updating files of 1570589, 1570590 Original log message: Adding full bibliography for 1570589--1570590.cif.	1570590.cif
288486	2023-12-22	cif/ Adding structures of 1570589, 1570590 via cif-deposit CGI script.	1570590.cif