Information card for entry 2013373

Structure parameters

• Formula: C13 H14 Mn N2 O6
• Calculated formula: C13 H14 Mn N2 O6
• SMILES: [Mn]12([OH2])([OH2])(OC(=O)CC(=O)O1)[n]1ccccc1c1[n]2cccc1
• Title of publication: Diaqua(2,2'-bipyridine)malonatomanganese(II)
• Authors of publication: Liang Shen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m128 - m129
• a: 7.834 ± 0.002 Å
• b: 9.408 ± 0.002 Å
• c: 20.532 ± 0.004 Å
• α: 90°
• β: 97.75 ± 0.02°
• γ: 90°
• Cell volume: 1499.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes