Crystallography Open Database

Information card for entry 7061274

Preview

Coordinates	7061274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H87 Co3 N9 O23
Calculated formula	C62 H50 Co3 N6 O12
Title of publication	Metal–organic framework based on flexible ligands and CoII–CoII–CoII system: selective gas adsorption and magnetic properties
Authors of publication	Zhou, Tao; Qian, Jianlei; Lu, Xin; Xu, Heng; Chen, Lei; Zhang, Chuanlei
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4307 - 4313
a	26.608 ± 0.005 Å
b	10.5511 ± 0.0018 Å
c	29.4 ± 0.005 Å
α	90°
β	115.862 ± 0.003°
γ	90°
Cell volume	7427 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1078
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2104
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
273404 (current)	2022-03-05	cif/ Updating files of 7061274 Original log message: Adding full bibliography for 7061274.cif.	7061274.cif
272812	2022-02-06	cif/ Adding structures of 7061274 via cif-deposit CGI script.	7061274.cif