Information card for entry 2233664

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
• Formula: C8 H12 Co O7
• Calculated formula: C8 H12 Co O7
• SMILES: [Co]12([OH2])(OC(=O)[C@@H]3[C@@H]4[O]2[C@H]([C@@H]3C(=O)O1)CC4)([OH2])[O]=C1O[Co]2([OH2])([OH2])OC(=O)[C@H]3[C@@H]1[C@H]1[O]2[C@@H]3CC1
• Title of publication: <i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
• Authors of publication: Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m146
• a: 10.3794 ± 0.001 Å
• b: 18.983 ± 0.003 Å
• c: 10.5021 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2069.3 ± 0.5 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: 0.029
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes