Information card for entry 4348303

Structure parameters

• Chemical name: Compound 3
• Formula: C5 H5 Mn N2 O6
• Calculated formula: C5 H5 Mn N2 O6
• 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: 12.9385 ± 0.0003 Å
• b: 6.731 ± 0.0001 Å
• c: 17.024 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.6 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No