Information card for entry 7017280

Structure parameters

• Chemical name: AS-12 2-(4-tolyl)-2,4-pentanedione, copper(II) tetrafluoroborate
• Formula: C24 H26 Cu O4
• Calculated formula: C24 H26 Cu O4
• Title of publication: Halogen bonding or close packing? Examining the structural landscape in a series of Cu(ii)-acac complexes.
• Authors of publication: Aakeröy, Christer B; Sinha, Abhijeet S.; Chopade, Prashant D.; Desper, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12160 - 12168
• a: 11.9427 ± 0.0006 Å
• b: 16.3128 ± 0.0008 Å
• c: 21.4984 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4188.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No