Crystallography Open Database

Information card for entry 4348301

Preview

Coordinates	4348301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 Cu N4 O10
Calculated formula	C10 H4 Cu N4 O10
SMILES	c12c(cnc([nH]1)O)C(=O)O[Cu]1([O]=2)[O]=c2c(cnc([nH]2)O)C(=O)O1.O.O
Title of publication	1D chains, 2D networks and 3D interdigitated frameworks of isoorotic acid or 4,4′-bipyridyl and isoorotic acid: syntheses, structures, and sorption properties
Authors of publication	Haldar, Ritesh; Gurunatha, K. L.; Sikdar, Nivedita; Maji, Tapas Kumar
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	3
Pages of publication	278
a	5.2386 ± 0.001 Å
b	11.3793 ± 0.0017 Å
c	10.8544 ± 0.0018 Å
α	90°
β	92.222 ± 0.011°
γ	90°
Cell volume	646.56 ± 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	0.0775
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
232868 (current)	2019-11-23	cif/ Adding structures of 4348301, 4348302, 4348303, 4348304, 4348305 via cif-deposit CGI script.	4348301.cif