Information card for entry 2213914

Structure parameters

• Chemical name: Triaqua[2-(carboxylatomethyliminomethyl)-4-formylphenolato- κ^3^O,N,O']manganese(II) monohydrate
• Formula: C10 H15 Mn N O8
• Calculated formula: C10 H15 Mn N O8
• SMILES: [Mn]12([N](=Cc3cc(ccc3O1)C=O)CC(=O)O2)([OH2])([OH2])[OH2].O
• Title of publication: Triaqua[2-(carboxylatomethyliminomethyl)-4-formylphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']manganese(II) monohydrate
• Authors of publication: Jin-Hua Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1631 - m1631
• a: 11.208 ± 0.005 Å
• b: 7.89 ± 0.003 Å
• c: 31.212 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1003
• 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: Yes