Crystallography Open Database

Information card for entry 1568932

Preview

Coordinates	1568932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H76 Li14 Na O148 P5 W30
Calculated formula	Na O125.6 P5 W30
Title of publication	Aqueous solutions of super reduced polyoxotungstates as electron storage systems.
Authors of publication	Zhao, Tingting; Bell, Nicola L.; Chisholm, Greig; Kandasamy, Balamurugan; Long, De-Liang; Cronin, Leroy
Journal of publication	Energy & environmental science
Year of publication	2023
Journal volume	16
Journal issue	6
Pages of publication	2603 - 2610
a	27.159 ± 0.0012 Å
b	21.1739 ± 0.0009 Å
c	23.6358 ± 0.001 Å
α	90°
β	95.848 ± 0.004°
γ	90°
Cell volume	13521.3 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2189
Weighted residual factors for all reflections included in the refinement	0.2268
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
284925 (current)	2023-07-05	cif/ Updating files of 1568932 Original log message: Adding full bibliography for 1568932.cif.	1568932.cif
282793	2023-04-22	cif/ Adding structures of 1568932 via cif-deposit CGI script.	1568932.cif