Crystallography Open Database

Information card for entry 7249951

Preview

Coordinates	7249951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Cs1.5 H47 K4 N0.5 Na3 Ni7 O101 Si2 W20
Calculated formula	B2 Cs1.5 H6 K4 N0.5 Na3 Ni7 O101 Si2 W20
Title of publication	A Ni-added polyoxometalate: synthesis, structure and catalytic performance
Authors of publication	Zhang, Zheng-Ge; Wang, Zhen-Wen; Wang, Yu; Chen, Juan; Wang, Yue-Lin; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	13
Pages of publication	1879 - 1886
a	37.466 ± 0.003 Å
b	14.8831 ± 0.0009 Å
c	18.3908 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	10254.9 ± 1.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	10
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
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
298837 (current)	2025-04-05	cif/ Updating files of 7249951 Original log message: Adding full bibliography for 7249951.cif.	7249951.cif
297731	2025-02-14	cif/ Adding structures of 7249951 via cif-deposit CGI script.	7249951.cif