Crystallography Open Database

Information card for entry 7709198

Preview

Coordinates	7709198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Cu N6 O4 S
Calculated formula	C12 H9 Cu N6 O4 S
Title of publication	A proton-conductive metal-organic framework based on imidazole and sulphate ligands.
Authors of publication	Mi, Fu-Qi; Ma, Fa-Xue; Zou, Shui-Xiang; Zhan, Dong-Sun; Zhang, Teng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1313 - 1317
a	20.6518 ± 0.0004 Å
b	9.8071 ± 0.0002 Å
c	15.1637 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3071.17 ± 0.11 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2535
Weighted residual factors for all reflections included in the refinement	0.2619
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272686 (current)	2022-02-04	cif/ Updating files of 7709198, 7709199 Original log message: Adding full bibliography for 7709198--7709199.cif.	7709198.cif
271645	2021-12-29	cif/ Adding structures of 7709198, 7709199 via cif-deposit CGI script.	7709198.cif