Information card for entry 4324735

Structure parameters

• Common name: copper(II) o-phenylenebis(acetylacetonate) dimer
• Chemical name: bis(mu-(3,3'-(1,2-phenylene)bis(2,4-pentanedionato)))dicopper
• Formula: C32 H32 Cu2 O8
• Calculated formula: C32 H32 Cu2 O8
• SMILES: CC1=C2C(C)=[O][Cu]3(O1)OC(=C(C(=[O]3)C)c1c(C3=C(C)O[Cu]4(OC(=C(C(=[O]4)C)c4c2cccc4)C)[O]=C3C)cccc1)C
• Title of publication: Bis(o-phenylenebis(acetylacetonato))dicopper(II): A Strained Copper(II) Dimer Exhibiting a Wide Range of Colors in the Solid State
• Authors of publication: Chandi Pariya; Frank R. Fronczek; Andrew W. Maverick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2748 - 2753
• a: 7.52 ± 0.0014 Å
• b: 9.2 ± 0.003 Å
• c: 10.728 ± 0.003 Å
• α: 90.484 ± 0.013°
• β: 91.742 ± 0.016°
• γ: 105.265 ± 0.016°
• Cell volume: 715.6 ± 0.3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.254
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No