Crystallography Open Database

Information card for entry 7231766

Preview

Coordinates	7231766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H64 N18 O23 Zn4
Calculated formula	C84 H54 N18 O23 Zn4
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	20.946 ± 0.002 Å
b	21.777 ± 0.003 Å
c	19.067 ± 0.002 Å
α	90°
β	102.325 ± 0.002°
γ	90°
Cell volume	8496.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71069 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.	7231766.cif
211813	2018-11-07	cif/ Adding structures of 7231764, 7231765, 7231766, 7231767 via cif-deposit CGI script.	7231766.cif