Crystallography Open Database

Information card for entry 1570227

Preview

Coordinates	1570227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co4 Fe2 H75 Na14 O105.5 W18
Calculated formula	Co4 Fe2 H4 Na14 O105.5 W18
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	12.2859 ± 0.0006 Å
b	13.663 ± 0.0006 Å
c	14.9308 ± 0.0006 Å
α	99.378 ± 0.001°
β	104.187 ± 0.001°
γ	101.318 ± 0.002°
Cell volume	2323.17 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.095
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1570227.cif
287179	2023-11-01	cif/ Adding structures of 1570226, 1570227, 1570228, 1570229 via cif-deposit CGI script.	1570227.cif