Crystallography Open Database

Information card for entry 7705077

Preview

Coordinates	7705077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H86 Cl3 Mn10 N86 O27
Calculated formula	C103.006 H86.0016 Cl3 Mn10 N79.0056 O24
Title of publication	A Mn(II)-MOF with inherent missing metal-ion defects based on an imidazole-tetrazole tripodal ligand and its application in supercapacitors.
Authors of publication	Wang, Jun; Deng, Shu-Qi; Zhao, Ting-Ting; Zheng, Sheng-Run; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12150 - 12155
a	19.1551 ± 0.0003 Å
b	19.1551 ± 0.0003 Å
c	19.1551 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7028.35 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257558 (current)	2020-10-06	cif/ Updating files of 7705077 Original log message: Adding full bibliography for 7705077.cif.	7705077.cif
255210	2020-08-09	cif/ Adding structures of 7705077 via cif-deposit CGI script.	7705077.cif