Information card for entry 2218007

Structure parameters

• Chemical name: Aquadicrotonato(di-2-pyridylamine)cobalt(II)
• Formula: C18 H21 Co N3 O5
• Calculated formula: C18 H21 Co N3 O5
• SMILES: [Co]1([n]2ccccc2Nc2[n]1cccc2)(OC(=O)\C=C/C)(OC(=O)\C=C/C)[OH2]
• Title of publication: Aquadicrotonato(di-2-pyridylamine)cobalt(II)
• Authors of publication: Wu, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m590
• a: 7.1113 ± 0.0007 Å
• b: 16.8303 ± 0.0015 Å
• c: 15.985 ± 0.0014 Å
• α: 90°
• β: 91.291 ± 0.002°
• γ: 90°
• Cell volume: 1912.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes