Information card for entry 1562951

Structure parameters

• Chemical name: Di(aqua)bis(pyridine)(fumarato)cobalt(II)
• Formula: C14 H16 Co N2 O6
• Calculated formula: C14 H16 Co N2 O6
• SMILES: [Co]([n]1ccccc1)([n]1ccccc1)(OC(=O)/C=C/C(=O)[O-])([OH2])([OH2])OC(=O)/C=C/C(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([OH2])[OH2]
• Title of publication: Synthesis and properties of a few 1-D cobaltous fumarates
• Authors of publication: Bora, Sanchay J.; Das, Birinchi K.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 192
• Pages of publication: 93 - 101
• a: 11.9058 ± 0.0007 Å
• b: 8.9589 ± 0.0006 Å
• c: 15.019 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1601.97 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No