Crystallography Open Database

Information card for entry 7231767

Preview

Coordinates	7231767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 N8 O16 Zn2
Calculated formula	C54 H34 N8 O16 Zn2
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	16.0554 ± 0.0018 Å
b	16.5185 ± 0.0017 Å
c	19.99 ± 0.002 Å
α	90°
β	93.14 ± 0.002°
γ	90°
Cell volume	5293.6 ± 1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7231767.cif
211813	2018-11-07	cif/ Adding structures of 7231764, 7231765, 7231766, 7231767 via cif-deposit CGI script.	7231767.cif