Information card for entry 4348301

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 ų
• 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 Fobs: No