Information card for entry 2221985

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis[(<i>E</i>)-3-(dimethylamino)-1-(2-pyridyl)prop-2- en-1-one-κ^2^<i>N</i>^1^,<i>O</i>]cobalt(II) dinitrate dihydrate
• Formula: C20 H32 Co N6 O12
• Calculated formula: C20 H32 Co N6 O12
• SMILES: c12C(/C=C/N(C)C)=[O][Co]3([n]4ccccc4C(/C=C/N(C)C)=[O]3)([n]2cccc1)([OH2])[OH2].N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: <i>trans</i>-Diaquabis[(<i>E</i>)-3-(dimethylamino)-1-(2-pyridyl)prop-2-en-1-one-κ^2^<i>N</i>^1^,<i>O</i>]cobalt(II) dinitrate dihydrate
• Authors of publication: Bi, Jian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m633
• a: 7.822 ± 0.0019 Å
• b: 8.646 ± 0.002 Å
• c: 11.088 ± 0.003 Å
• α: 98.439 ± 0.004°
• β: 101.239 ± 0.004°
• γ: 108.467 ± 0.004°
• Cell volume: 679.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes