Information card for entry 4350635

Structure parameters

• Common name: [(C6F5)2TAP]CuCO(CH3CN)
• Formula: C23 H3 Cu F24 N4 O
• Calculated formula: C23 H3 Cu F24 N4 O
• SMILES: [Cu]1([N](=C(N=C(N1c1c(c(c(c(c1F)F)F)F)F)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)c1c(c(c(c(c1F)F)F)F)F)([N]#CC)C#[O]
• Title of publication: Syntheses of highly fluorinated 1,3,5-triazapentadienyl ligands and their use in the isolation of copper(I)-carbonyl and copper(I)-ethylene complexes.
• Authors of publication: Dias, H. V. Rasika; Singh, Shreeyukta; Flores, Jaime A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8859 - 8861
• a: 10.5092 ± 0.0004 Å
• b: 12.5716 ± 0.0005 Å
• c: 21.8262 ± 0.0009 Å
• α: 90°
• β: 97.515 ± 0.001°
• γ: 90°
• Cell volume: 2858.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No