Information card for entry 7703973

Structure parameters

• Formula: C12 H20 Cl Mn N2 O4
• Calculated formula: C12 H20 Cl Mn N2 O4
• SMILES: [Mn]123(Oc4ccccc4C=[N]2CCC[NH]3CCO1)([OH2])[OH2].[Cl-]
• Title of publication: Synthesis of Mn₃O₄ nanozymes from structurally characterized phenoxazinone synthase models based on manganese(iii) Schiff base complexes.
• Authors of publication: Mandal, Arnab; Dasgupta, Sanchari; Adhikary, Amit; Samanta, Debabrata; Zangrando, Ennio; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5999 - 6011
• a: 18.4286 ± 0.0004 Å
• b: 7.767 ± 0.0002 Å
• c: 20.6985 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2962.68 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No