Information card for entry 2017287

Structure parameters

• Common name: cobalt(II) fumarate pentahydrate
• Chemical name: <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ~2~-fumarato] monohydrate]
• Formula: C4 H12 Co O9
• Calculated formula: C4 H12 Co O9
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])(OC(=O)/C=C/C(=O)O[Co]([OH2])([OH2])([OH2])[OH2])OC(=O)/C=C/C(=O)[O-].O.O
• Title of publication: Two new cobalt(II) fumarates and a redetermination of tetraaquacobalt(II) fumarate monohydrate
• Authors of publication: Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m347 - m351
• a: 5.2561 ± 0.0011 Å
• b: 13.145 ± 0.002 Å
• c: 13.321 ± 0.003 Å
• α: 90°
• β: 95.188 ± 0.016°
• γ: 90°
• Cell volume: 916.6 ± 0.3 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes