Information card for entry 2242633

Structure parameters

• Chemical name: <i>catena</i>-Poly[[manganese(II)-di-μ~2~-acetato-μ-(4-methylpyridine <i>N</i>-oxide)] monohydrate]
• Formula: C10 H15 Mn N O6
• Calculated formula: C10 H15 Mn N O6
• SMILES: [Mn]12([O]=n3ccc(cc3)C)([O]=C(O[Mn]([O]1=n1ccc(cc1)C)OC(=[O]2)C)C)(OC(=O)C)OC(=O)C.O.O
• Title of publication: Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate
• Authors of publication: Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1405 - 1410
• a: 11.1 ± 0.003 Å
• b: 7.334 ± 0.003 Å
• c: 15.9808 ± 0.0004 Å
• α: 90°
• β: 96.5 ± 0.011°
• γ: 90°
• Cell volume: 1292.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0636
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes