Crystallography Open Database

Information card for entry 7249778

Preview

Coordinates	7249778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.02 H0.02 Cu N0.02 O W
Calculated formula	C4.09756 H6.43902 Cu0.0174634 N1.17073 O4.19512 W1.17073
Title of publication	Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting
Authors of publication	Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	7
Pages of publication	974 - 988
a	13.7848 ± 0.0005 Å
b	20.9048 ± 0.0007 Å
c	26.7438 ± 0.0009 Å
α	90°
β	97.288 ± 0.001°
γ	90°
Cell volume	7644.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.2059
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
298206 (current)	2025-03-04	cif/ Updating files of 7249777, 7249778 Original log message: Adding full bibliography for 7249777--7249778.cif.	7249778.cif
297316	2025-01-15	cif/ Adding structures of 7249777, 7249778 via cif-deposit CGI script.	7249778.cif