Information card for entry 2210681

Structure parameters

• Chemical name: Bis{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O'}manganese(IV) hemihydrate
• Formula: C18 H19 Mn N2 O4.5
• Calculated formula: C18 H19 Mn N2 O4.5
• SMILES: [Mn]1234(Oc5ccccc5C=[N]3CCO1)Oc1ccccc1C=[N]4CCO2.O
• Title of publication: Bis{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}manganese(IV) hemihydrate
• Authors of publication: Shu-Zhong Zhan; Ying-Jun Zhang; Jian-Ge Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2713 - m2714
• a: 27.6765 ± 0.0016 Å
• b: 10.6137 ± 0.0006 Å
• c: 11.682 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3431.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes