Information card for entry 2311409

Structure parameters

• Chemical name: Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[diaquadichloridomanganese(II)]
• Formula: C12 H22 Cl4 Mn2 N2 O6
• Calculated formula: C12 H22 Cl4 Mn2 N2 O6
• SMILES: c1n(cccc1C)=[O]1[Mn](Cl)(Cl)([OH2])([OH2])[O]([Mn]1([OH2])([OH2])(Cl)Cl)=n1cc(ccc1)C
• Title of publication: Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.
• Authors of publication: Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1434 - 1438
• a: 7.902 ± 0.007 Å
• b: 8.026 ± 0.007 Å
• c: 9.893 ± 0.008 Å
• α: 98.033 ± 0.001°
• β: 99.272 ± 0.007°
• γ: 113.634 ± 0.011°
• Cell volume: 552.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No