Information card for entry 2022316

Structure parameters

• Chemical name: Dichlorido{2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}manganese(II)
• Formula: C11 H15 Cl2 Mn N3 O2
• Calculated formula: C11 H15 Cl2 Mn N3 O2
• SMILES: [OH]1CC[N]2=Cc3[n]4c(ccc3)C=[N]3CC[OH][Mn]1243(Cl)Cl
• Title of publication: Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies
• Authors of publication: McKee, Vickie; Kose, Muhammet
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 100 - 110
• a: 12.9256 ± 0.0018 Å
• b: 14.278 ± 0.002 Å
• c: 17.022 ± 0.002 Å
• α: 75.82 ± 0.002°
• β: 78.056 ± 0.002°
• γ: 73.644 ± 0.002°
• Cell volume: 2890.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0587
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes