Information card for entry 1562952

Structure parameters

• Chemical name: Di(aqua)bis(4-cyanopyridine)(fumarato)cobalt(II)
• Formula: C16 H14 Co N4 O6
• Calculated formula: C16 H14 Co N4 O6
• SMILES: [Co]([n]1ccc(C#N)cc1)([n]1ccc(C#N)cc1)(OC(=O)/C=C/C(=O)[O-])([OH2])([OH2])OC(=O)/C=C/C(=O)O[Co]([n]1ccc(C#N)cc1)([n]1ccc(C#N)cc1)([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: 8.9107 ± 0.0002 Å
• b: 11.5087 ± 0.0002 Å
• c: 8.8982 ± 0.0002 Å
• α: 90°
• β: 106.593 ± 0.001°
• γ: 90°
• Cell volume: 874.52 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0239
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No