Crystallography Open Database

Information card for entry 7244531

Preview

Coordinates	7244531.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ni2(btbu)4(H2O)2(SiW12O40)]
Formula	C32 H54 N24 Ni2 O42 Si W12
Calculated formula	C32 H54 N24 Ni2 O42 Si W12
Title of publication	N-donor flexible ligands constructed polyoxometalate-based metal-organic frameworks as multifunctional electrocatalyts
Authors of publication	Zhou, Qian; Yao, Jinzhen; Sun, Jing; Li, Xiao; Bao, Siqi; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2022
a	12.438 ± 0.002 Å
b	16.716 ± 0.003 Å
c	17.383 ± 0.003 Å
α	90°
β	102.122 ± 0.003°
γ	90°
Cell volume	3533.6 ± 1 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.276
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273194 (current)	2022-03-02	cif/ Adding structures of 7244530, 7244531 via cif-deposit CGI script.	7244531.cif