Information card for entry 2220982

Structure parameters

• Chemical name: Bis{2-methoxy-6-[tris(hydroxymethyl)methyliminomethyl]phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}manganese(II) dimethanol solvate hemihydrate
• Formula: C26 H41 Mn N2 O12.5
• Calculated formula: C26 H41 Mn N2 O12.5
• Title of publication: Bis{2-methoxy-6-[tris(hydroxymethyl)methyliminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}manganese(II) dimethanol solvate hemihydrate
• Authors of publication: Zhang, Xiutang; Wei, Peihai; Dou, Jianmin; Li, Bin; Hu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m293 - m294
• a: 8.141 ± 0.002 Å
• b: 18.13 ± 0.005 Å
• c: 20.211 ± 0.006 Å
• α: 90°
• β: 93.59 ± 0.004°
• γ: 90°
• Cell volume: 2977.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes