Crystallography Open Database

Information card for entry 7058215

Preview

Coordinates	7058215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H72 N18 O29 Zn5
Calculated formula	C98 H72 N18 O29 Zn5
Title of publication	Water-assisted proton conductivity of two highly stable imidazole multi-carboxylate-based MOFs
Authors of publication	Qin, Yin; Li, Yilin; Guo, Kaimeng; Tang, Huabiao; Hou, Lifen; Li, Gang
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4859
a	20.1821 ± 0.0003 Å
b	35.3003 ± 0.0004 Å
c	13.25738 ± 0.00019 Å
α	90°
β	90°
γ	90°
Cell volume	9445 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
224995 (current)	2019-11-08	cif/ Updating files of 7058215, 7058216 Original log message: Adding full bibliography for 7058215--7058216.cif.	7058215.cif
213871	2019-02-27	cif/ Adding structures of 7058215, 7058216 via cif-deposit CGI script.	7058215.cif