Crystallography Open Database

Information card for entry 7228576

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Structure parameters

Formula	C21 H22 Cu N2 O14
Calculated formula	C21 H22 Cu N2 O14
Title of publication	Cu(II) frameworks from a “mixed-ligand” approach
Authors of publication	Fidelli, Athena M.; Kessler, Vadim G.; Escuer, Albert; Papaefstathiou, Giannis S.
Journal of publication	CrystEngComm
Year of publication	2017
a	7.131 ± 0.005 Å
b	10.833 ± 0.008 Å
c	16.834 ± 0.016 Å
α	103.207 ± 0.013°
β	96.13 ± 0.013°
γ	107.927 ± 0.009°
Cell volume	1182.3 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7228576.cif
198222	2017-06-29	cif/ Adding structures of 7228576, 7228577, 7228578, 7228579, 7228580, 7228581, 7228582, 7228583, 7228584 via cif-deposit CGI script.	7228576.cif