Information card for entry 7007768

Structure parameters

• Common name: ((L1)Cu(CH3CN))
• Chemical name: [(L1)Cu(CH3CN)]
• Formula: C31 H41 Cu F3 N3
• Calculated formula: C31 H41 Cu F3 N3
• Title of publication: Electronic tuning of beta-diketiminate ligands with fluorinated substituents: effects on the O2-reactivity of mononuclear Cu(I) complexes.
• Authors of publication: Hill, Lyndal M. R.; Gherman, Benjamin F.; Aboelella, Nermeen W.; Cramer, Christopher J.; Tolman, William B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 41
• Pages of publication: 4944 - 4953
• a: 12.9031 ± 0.0007 Å
• b: 14.2839 ± 0.0008 Å
• c: 18.0089 ± 0.0011 Å
• α: 90°
• β: 108.469 ± 0.002°
• γ: 90°
• Cell volume: 3148.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No