Crystallography Open Database

Information card for entry 7236541

Preview

Coordinates	7236541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H18 Mo12 N6 O48 P Zn4
Calculated formula	C32 H18 Mo12 N6 O48 P Zn4
Title of publication	A highly stable polyoxometalate-based metal‒organic framework with π‒π stacking for enhancing lithium ion battery performance
Authors of publication	Huang, Qing; Wei, Tao; Zhang, Mi; Dong, Long-Zhang; Zhang, A-Man; Li, Shun-Li; Liu, Wen-Jing; Liu, Jiang; Lan, Ya-Qian
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	18
Pages of publication	8477
a	54.438 ± 0.002 Å
b	14.5003 ± 0.0006 Å
c	39.5817 ± 0.0017 Å
α	90°
β	128.01 ± 0.001°
γ	90°
Cell volume	24617.6 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.1331
Weighted residual factors for significantly intense reflections	0.2917
Weighted residual factors for all reflections included in the refinement	0.297
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
236288 (current)	2019-11-24	cif/ Adding structures of 7236540, 7236541 via cif-deposit CGI script.	7236541.cif