Information card for entry 2210794

Structure parameters

• Chemical name: Bis(di-2-pyridylmethanediol-κ^3^N,N',O)manganese(II) bis(acetate) tetrahydrate
• Formula: C26 H34 Mn N4 O12
• Calculated formula: C26 H34 Mn N4 O12
• SMILES: c1cccc2[n]1[Mn]1([n]3ccccc3C2(O)O)[n]2ccccc2C(O)(O)c2cccc[n]12.[O-]C(=O)C.O.O.O=C([O-])C.O.O
• Title of publication: Bis(di-2-pyridylmethanediol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)manganese(II) bis(acetate) tetrahydrate
• Authors of publication: Xie, Ming-Jin; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2735 - m2736
• a: 8.6266 ± 0.0006 Å
• b: 7.8941 ± 0.0005 Å
• c: 23.137 ± 0.002 Å
• α: 90°
• β: 98.018 ± 0.001°
• γ: 90°
• Cell volume: 1560.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes