Information card for entry 2022317

Structure parameters

• Chemical name: Bis{μ-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}bis[dithiocyanatomanganese(II)]
• Formula: C26 H30 Mn2 N10 O4 S4
• Calculated formula: C26 H30 Mn2 N10 O4 S4
• SMILES: C(C[N]1=Cc2cccc3C=[N]4[Mn]1([n]23)(N=C=S)(N=C=S)[OH]CC[N]1=Cc2cccc3C=[N](CCO)[Mn]1([n]23)(N=C=S)(N=C=S)[OH]CC4)O
• 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: 7.2639 ± 0.0012 Å
• b: 24.655 ± 0.004 Å
• c: 9.471 ± 0.0016 Å
• α: 90°
• β: 98.994 ± 0.003°
• γ: 90°
• Cell volume: 1675.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes