Crystallography Open Database

Information card for entry 1566056

Preview

Coordinates	1566056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Co N2 O16
Calculated formula	C40 H31 Co N2 O16
SMILES	[Co]12(OC(=O)c3[n]2c(c2ccc(cc2)C(=O)O)cc(c2ccc(C(=O)O)cc2)c3)(OC(=O)c2[n]1c(cc(c2)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)([OH2])[OH2].O.O
Title of publication	Syntheses, structures, luminescence and CO2 gas adsorption properties of four three-dimensional heterobimetallic metal–organic frameworks
Authors of publication	Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping
Journal of publication	Journal of Solid State Chemistry
Year of publication	2022
Journal volume	305
Pages of publication	122672
a	22.4661 ± 0.0006 Å
b	7.4237 ± 0.0002 Å
c	24.5482 ± 0.0006 Å
α	90°
β	114.956 ± 0.003°
γ	90°
Cell volume	3711.92 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2783
Weighted residual factors for all reflections included in the refinement	0.2989
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
272152 (current)	2022-01-20	cif/ Adding structures of 1566056, 1566057, 1566058 via cif-deposit CGI script.	1566056.cif