Information card for entry 4350637

Structure parameters

• Common name: [(CF3,F-Ph)2TAP]CuCO
• Formula: C23 H6 Cu F22 N3 O
• Calculated formula: C23 H6 Cu F22 N3 O
• SMILES: [Cu]1(N(C(=NC(=[N]1c1c(cccc1C(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(cccc1C(F)(F)F)F)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: 24.6256 ± 0.0016 Å
• b: 9.7507 ± 0.0006 Å
• c: 25.1455 ± 0.0016 Å
• α: 90°
• β: 113.278 ± 0.001°
• γ: 90°
• Cell volume: 5546.4 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No