Crystallography Open Database

Information card for entry 4515265

Preview

Coordinates	4515265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 Mo12 N6 O41 P Zn4
Calculated formula	C36 H38 Mo12 N6 O41 P Zn4
Title of publication	A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery
Authors of publication	Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan
Journal of publication	ACS Applied Energy Materials
Year of publication	2018
Journal volume	1
Journal issue	9
Pages of publication	4931
a	22.711 ± 0.003 Å
b	22.711 ± 0.003 Å
c	13.3033 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	5942.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
225432 (current)	2019-11-09	cif/ Adding structures of 4515265 via cif-deposit CGI script.	4515265.cif