Information card for entry 2212528

Structure parameters

• Chemical name: Aquabis(3-pyridylacrylato)-κ^2^O,O';κO-bis(3-pyridylmethanol-κN)copper(II)
• Formula: C28 H28 Cu N4 O7
• Calculated formula: C28 H28 Cu N4 O7
• Title of publication: Aquabis(3-pyridylacrylato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(3-pyridylmethanol-κ<i>N</i>)copper(II)
• Authors of publication: Moncol, Jan; Segľa, Peter; Jašková, Jana; Fischer, Andreas; Melník, Milan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m698 - m700
• a: 14.913 ± 0.002 Å
• b: 6.595 ± 0.001 Å
• c: 28.081 ± 0.005 Å
• α: 90°
• β: 91.749 ± 0.01°
• γ: 90°
• Cell volume: 2760.5 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes