Information card for entry 7103869

Structure parameters

• Common name: Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(ii), benzene solvate
• Chemical name: Bis(3-(4-pyridyl)-2,4-pentanedionato)copper(II), benzene solvate
• Formula: C26 H26 Cu N2 O4
• Calculated formula: C26 H26 Cu N2 O4
• SMILES: C1(=[O][Cu]2(OC(=C1c1ccncc1)C)OC(=C(C(=[O]2)C)c1ccncc1)C)C.c1ccccc1
• 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: 7.563 ± 0.001 Å
• b: 9.582 ± 0.002 Å
• c: 16.085 ± 0.003 Å
• α: 90°
• β: 96.213 ± 0.011°
• γ: 90°
• Cell volume: 1158.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.047
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7113855
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No