Information card for entry 2242033

Structure parameters

• Common name: cobalt(II) isobutyrate dihydrate
• Chemical name: <i>catena</i>-Poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]
• Formula: C8 H18 Co O6
• Calculated formula: C8 H18 Co O6
• SMILES: [Co]12(OC(=O)C(C)C)(OC(=O)C(C)C)([OH2])[O]=C(O[Co]([O]1C(=O)C(C)C)[OH2]2)C(C)C.O.O
• Title of publication: Crystal structure of a Co^II^ coordination polymer: <i>catena</i>-poly[[μ-aqua-bis(μ-2-methylpropanoato)-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>-cobalt(II)] monohydrate]
• Authors of publication: Fischer, Andrei I.; Gurzhiy, Vladislav V.; Aleksandrova, Julia V.; Pakina, Maria I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 318 - 321
• a: 11.9999 ± 0.0004 Å
• b: 6.3815 ± 0.0002 Å
• c: 16.1374 ± 0.0006 Å
• α: 90°
• β: 109.54 ± 0.002°
• γ: 90°
• Cell volume: 1164.59 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No