Crystallography Open Database

Information card for entry 7058152

Preview

Coordinates	7058152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H37 N7 O30 Zn6
Calculated formula	C52 H37 N7 O30 Zn6
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	22.848 ± 0.001 Å
b	22.848 ± 0.001 Å
c	20.33 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	9191 ± 1.1 Å³
Cell temperature	170.15 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	5
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7058152.cif
213551	2019-02-08	cif/ Adding structures of 7058150, 7058151, 7058152 via cif-deposit CGI script.	7058152.cif