Information card for entry 2022315

Structure parameters

• Chemical name: 2,2'-[(Pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}manganese(II)
• Formula: C11 H15 N3 O2
• Calculated formula: C11 H15 N3 O2
• SMILES: OCC/N=C/c1cccc(n1)/C=N/CCO
• 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: 9.874 ± 0.003 Å
• b: 4.5259 ± 0.0012 Å
• c: 24.792 ± 0.007 Å
• α: 90°
• β: 94.393 ± 0.005°
• γ: 90°
• Cell volume: 1104.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes