Information card for entry 2229790

Structure parameters

• Chemical name: (μ-Ethane-1,1,2,2-tetracarboxylato)bis[tetraaquamanganese(II)]
• Formula: C6 H18 Mn2 O16
• Calculated formula: C6 H18 Mn2 O16
• SMILES: C1(C(=O)O[Mn]([OH2])([OH2])([OH2])([OH2])OC1=O)C1C(=O)O[Mn]([OH2])([OH2])([OH2])([OH2])OC1=O
• Title of publication: (μ-Ethane-1,1,2,2-tetracarboxylato)bis[tetraaquamanganese(II)]
• Authors of publication: Xue, Meng-Wei; Chen, Chang-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m449
• a: 6.2901 ± 0.0012 Å
• b: 8.0212 ± 0.0015 Å
• c: 8.0769 ± 0.0015 Å
• α: 108.522 ± 0.003°
• β: 95.068 ± 0.003°
• γ: 97.086 ± 0.003°
• Cell volume: 379.92 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes