Crystallography Open Database

Information card for entry 7237242

Preview

Coordinates	7237242.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Mn-CCs
Formula	C36 H21 Mn9 O29 P4
Calculated formula	C36 H22 Mn9 O30 P4
Title of publication	Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium‒sulfur batteries
Authors of publication	Liu, Xiao-Fei; Guo, Xiao-Qing; Wang, Rui; Liu, Qing-Chao; Li, Zhong-Jun; Zang, Shuang-Quan; Mak, Thomas C. W.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2019
Journal volume	7
Journal issue	6
Pages of publication	2838
a	22.2297 ± 0.0002 Å
b	22.2297 ± 0.0002 Å
c	22.2297 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10985 ± 0.17 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.135
Residual factor for significantly intense reflections	0.1159
Weighted residual factors for significantly intense reflections	0.3626
Weighted residual factors for all reflections included in the refinement	0.3822
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237515 (current)	2019-11-24	cif/ Adding structures of 7237242, 7237243 via cif-deposit CGI script.	7237242.cif