Crystallography Open Database

Information card for entry 7246184

Preview

Coordinates	7246184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H47 N16 Ni2 O52 P W12
Calculated formula	C52 H46 N16 Ni2 O52 P W12
Title of publication	Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand
Authors of publication	Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	2185 - 2195
a	17.2241 ± 0.0011 Å
b	13.6928 ± 0.0007 Å
c	17.4462 ± 0.0011 Å
α	90°
β	97.709 ± 0.002°
γ	90°
Cell volume	4077.4 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2655
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283220 (current)	2023-05-05	cif/ Updating files of 7246180, 7246181, 7246182, 7246183, 7246184 Original log message: Adding full bibliography for 7246180--7246184.cif.	7246184.cif
280477	2023-01-21	cif/ Adding structures of 7246180, 7246181, 7246182, 7246183, 7246184 via cif-deposit CGI script.	7246184.cif