Information card for entry 2231348

Structure parameters

• Chemical name: Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato- κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate
• Formula: C8 H16 Co O9
• Calculated formula: C8 H16 Co O9
• SMILES: [Co]12(OC(=O)[C@H]3[C@H]4[O]2[C@@H]([C@H]3C(=O)O1)CC4)([OH2])([OH2])[OH2].O
• Title of publication: Triaqua(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^3^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^)cobalt(II) monohydrate
• Authors of publication: Zhang, Fan; Jia, Ai-Ping; Lin, Qiu-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1119 - m1120
• a: 10.0965 ± 0.0003 Å
• b: 10.0208 ± 0.0003 Å
• c: 14.5893 ± 0.0003 Å
• α: 90°
• β: 129.177 ± 0.001°
• γ: 90°
• Cell volume: 1144.25 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes