Information card for entry 4348305

Structure parameters

• Formula: C20 H13 N5 Ni O5
• Calculated formula: C20 H13 N5 Ni O5
• 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: 10.3949 ± 0.0002 Å
• b: 11.3275 ± 0.0002 Å
• c: 18.6129 ± 0.0003 Å
• α: 90°
• β: 102.999 ± 0.001°
• γ: 90°
• Cell volume: 2135.47 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No