Information card for entry 2239898

Structure parameters

• Chemical name: Bis(acetato-κ<i>O</i>)diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Formula: C14 H18 Mn N2 O6
• Calculated formula: C14 H18 Mn N2 O6
• SMILES: c1cccc2c3cccc[n]3[Mn]([n]12)(OC(=O)C)([OH2])([OH2])OC(=O)C
• Title of publication: Crystal structure of bis(acetato-κ<i>O</i>)diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Authors of publication: Saravanan, Natarajan; Selvam, Parasuraman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: m326 - m327
• a: 12.8494 ± 0.0008 Å
• b: 8.1434 ± 0.0005 Å
• c: 15.5918 ± 0.001 Å
• α: 90°
• β: 98.926 ± 0.002°
• γ: 90°
• Cell volume: 1611.73 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes