Crystallography Open Database

Information card for entry 1570228

Preview

Coordinates	1570228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co5 H82 Na12 O109 W19
Calculated formula	Co5 Na12 O109 W19
Title of publication	Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.
Authors of publication	Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	47
Pages of publication	13722 - 13733
a	13.063 ± 0.011 Å
b	17.764 ± 0.015 Å
c	21.118 ± 0.018 Å
α	90°
β	93.152 ± 0.009°
γ	90°
Cell volume	4893 ± 7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1152
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
288749 (current)	2024-01-06	cif/ Updating files of 1570226, 1570227, 1570228, 1570229 Original log message: Adding full bibliography for 1570226--1570229.cif.	1570228.cif
287179	2023-11-01	cif/ Adding structures of 1570226, 1570227, 1570228, 1570229 via cif-deposit CGI script.	1570228.cif