Crystallography Open Database

Information card for entry 7231764

Preview

Coordinates	7231764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 N4 O5 Zn
Calculated formula	C20 H17 N4 O5 Zn
Title of publication	Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties
Authors of publication	Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	47
Pages of publication	7719
a	8.408 ± 0.005 Å
b	20.812 ± 0.005 Å
c	12.279 ± 0.005 Å
α	90 ± 0.005°
β	97.875 ± 0.005°
γ	90 ± 0.005°
Cell volume	2128.4 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
229038 (current)	2019-11-17	cif/ Updating files of 7231764, 7231765, 7231766, 7231767 Original log message: Adding full bibliography for 7231764--7231767.cif.	7231764.cif
211813	2018-11-07	cif/ Adding structures of 7231764, 7231765, 7231766, 7231767 via cif-deposit CGI script.	7231764.cif