Information card for entry 2232179

Structure parameters

• Chemical name: Hexaaquamanganese(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate
• Formula: C26 H36 Mn N2 O14
• Calculated formula: C26 H36 Mn N2 O14
• SMILES: C(=O)(c1ccc(cc1)OCc1ncccc1)[O-].[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.C(=O)(c1ccc(cc1)OCc1ncccc1)[O-].O
• Title of publication: Hexaaquamanganese(II) bis[4-(pyridin-2-ylmethoxy)benzoate] dihydrate
• Authors of publication: Zhang, Li-Wei; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1520
• a: 7.4895 ± 0.0018 Å
• b: 7.6409 ± 0.0018 Å
• c: 13.791 ± 0.003 Å
• α: 84.498 ± 0.004°
• β: 82.851 ± 0.005°
• γ: 72.576 ± 0.005°
• Cell volume: 745.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes