Crystallography Open Database

Information card for entry 7709199

Preview

Coordinates	7709199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Cu0.25 N2 O3 S0.5
Calculated formula	C4 H4 Cu0.25 N2 O3 S0.5
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	9.946 ± 0.003 Å
b	16.293 ± 0.005 Å
c	6.924 ± 0.002 Å
α	90°
β	91.321 ± 0.015°
γ	90°
Cell volume	1121.7 ± 0.6 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	249.95 K
Number of distinct elements	6
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	0.1538
Residual factor for significantly intense reflections	0.0924
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.277
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
272686 (current)	2022-02-04	cif/ Updating files of 7709198, 7709199 Original log message: Adding full bibliography for 7709198--7709199.cif.	7709199.cif
271645	2021-12-29	cif/ Adding structures of 7709198, 7709199 via cif-deposit CGI script.	7709199.cif