Information card for entry 2226328

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquamanganese(II)]-μ- 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]
• Formula: C8 H12 Mn O7
• Calculated formula: C8 H12 Mn O7
• SMILES: [Mn]12([O]3[C@H]4[C@@H](C(=O)O1)[C@@H](C(=O)O2)[C@@H]3CC4)([OH2])([OH2])[O]=C1O[Mn]2([O]3[C@@H]4[C@H]1[C@H](C(=O)O2)[C@H]3CC4)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquamanganese(II)]-μ-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato]
• Authors of publication: Wang, Na; Feng, Jie; Wang, Dong-Hang; Lin, Qiu-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m717
• a: 10.3513 ± 0.0002 Å
• b: 18.9903 ± 0.0004 Å
• c: 10.4899 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.04 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes