Information card for entry 4507527

Structure parameters

• Formula: C15 H14 Mn N2 O6
• Calculated formula: C15 H14 Mn N2 O6
• Title of publication: Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids
• Authors of publication: Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1260
• a: 12.4378 ± 0.0006 Å
• b: 14.7717 ± 0.0008 Å
• c: 16.6097 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3051.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No