Crystallography Open Database

Information card for entry 7249946

Preview

Coordinates	7249946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17
Calculated formula	Cl Cs7.5 H4 N Na0.5 Ni4 O74 P2 W17
Title of publication	A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance
Authors of publication	Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	11
Pages of publication	1650 - 1656
a	21.5884 ± 0.0009 Å
b	21.5884 ± 0.0009 Å
c	17.7901 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	8291.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
298860 (current)	2025-04-05	cif/ Updating files of 7249946 Original log message: Adding full bibliography for 7249946.cif.	7249946.cif
297711	2025-02-13	cif/ Adding structures of 7249946 via cif-deposit CGI script.	7249946.cif