Information card for entry 2217552

Structure parameters

• Chemical name: trans-Tetraaquabis[3-(3-pyridyl)acrylato-κN]cobalt(II)
• Formula: C16 H20 Co N2 O8
• Calculated formula: C16 H20 Co N2 O8
• SMILES: c1c(ccc[n]1[Co]([OH2])([OH2])([n]1cc(ccc1)/C=C/C(=O)[O-])([OH2])[OH2])/C=C/C(=O)[O-]
• Title of publication: <i>trans</i>-Tetraaquabis[3-(3-pyridyl)acrylato-κ<i>N</i>]cobalt(II)
• Authors of publication: Miklovič, Jozef; Moncol, Jan; Mikloš, Dušan; Segľa, Peter; Koman, Marian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m426 - m426
• a: 11.235 ± 0.001 Å
• b: 7.02 ± 0.001 Å
• c: 12.012 ± 0.001 Å
• α: 90°
• β: 112.81 ± 0.01°
• γ: 90°
• Cell volume: 873.29 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes