Crystallography Open Database

Information card for entry 7058151

Preview

Coordinates	7058151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H202 Mn13 N20 O104
Calculated formula	C120 H101.999 Mn13 N18 O73.9996
Title of publication	Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions
Authors of publication	Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	10
Pages of publication	4226
a	22.5444 ± 0.0004 Å
b	22.5444 ± 0.0004 Å
c	22.5444 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11458.2 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
224690 (current)	2019-11-08	cif/ Updating files of 7058150, 7058151, 7058152 Original log message: Adding full bibliography for 7058150--7058152.cif.	7058151.cif
213551	2019-02-08	cif/ Adding structures of 7058150, 7058151, 7058152 via cif-deposit CGI script.	7058151.cif