Information card for entry 2242631

Structure parameters

• Chemical name: <i>catena</i>-Poly[manganese(II)-μ~3~-acetato-di-μ~2~-acetato-[aquamanganese(II)]-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-manganese(II)-μ~3~-acetato-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-[aquamanganese(II)]-di-μ~2~-acetato]
• Formula: C26 H38 Mn4 N2 O20
• Calculated formula: C26 H38 Mn4 N2 O20
• SMILES: [Mn]1234([O](=n5ccccc5)[Mn]56([O]=C(O1)C)([O]=C(O[Mn]1(OC(=O)C)([O]5C(=[O]3)C)([O]=C(O[Mn]35([O]([Mn]78([O]=C([O]9[Mn]([O]7=n7ccccc7)([O]=C(O8)C)([O]=C(O[Mn]9(OC(=O)C)OC(=O)C)C)[OH2])C)(OC(=[O]3)C)[O]=C([O]15)C)=n1ccccc1)[OH2])C)[O]6C(=O)C)C)[OH2])[O]=C(O[Mn]([O]2=n1ccccc1)([O]=C(O4)C)(OC(=O)C)[OH2])C
• 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: 19.936 ± 0.007 Å
• b: 10.603 ± 0.004 Å
• c: 18.692 ± 0.007 Å
• α: 90°
• β: 105.925 ± 0.004°
• γ: 90°
• Cell volume: 3800 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes