Crystallography Open Database

Information card for entry 7702944

Preview

Coordinates	7702944.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zinc (imdazolate, benzimidazolate, 5-methyl-benzimidazolate) solid solution
Chemical name	ZIF-UC-1a
Formula	C18.84 H22.06 N8.92 O0.92 Zn2
Calculated formula	C18.829 H12.138 N8.912 O0.912 Zn2
Title of publication	Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses.
Authors of publication	Ríos Gómez, María Laura; Lampronti, Giulio Isacco; Yang, Yongjian; Mauro, John C.; Bennett, Thomas Douglas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	850 - 857
a	15.7365 ± 0.0004 Å
b	16.0434 ± 0.0004 Å
c	18.6754 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4714.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.2121
Weighted residual factors for all reflections included in the refinement	0.2261
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247748 (current)	2020-02-04	cif/ Updating files of 7702944, 7702945, 7702946 Original log message: Adding full bibliography for 7702944--7702946.cif.	7702944.cif
245036	2019-12-13	cif/ Adding structures of 7702944, 7702945, 7702946 via cif-deposit CGI script.	7702944.cif