Information card for entry 7103865

Structure parameters

• Common name: Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(ii), ethanol- water solvate
• Chemical name: Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(II), ethanol-water solvate
• Formula: C22 H30 Cu N2 O7
• Calculated formula: C22 H20 Cu N2 O6.99333
• Title of publication: Solvent-dependent 4(4) square grid and 6(4).8(2) NbO frameworks formed by Cu(Pyac)2 (bis[3-(4-pyridyl)pentane-2,4-dionato]copper(II)).
• Authors of publication: Chen, Banglin; Fronczek, Frank R; Maverick, Andrew W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2166 - 2167
• a: 22.604 ± 0.002 Å
• b: 22.604 ± 0.002 Å
• c: 22.964 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10161.3 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.459
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7113851
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No