Information card for entry 4311590

Structure parameters

• Common name: [N{(C3F7)C(Dipp)N}2]CuNCCH3
• Formula: C34 H37 Cu F14 N4
• Calculated formula: C34 H37 Cu F14 N4
• SMILES: [Cu]1(N(C(=NC(=[N]1c1c(cccc1C(C)C)C(C)C)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1c(cccc1C(C)C)C(C)C)[N]#CC
• Title of publication: Copper(I) Complexes of Fluorinated Triazapentadienyl Ligands: Synthesis and Characterization of [N{(C3F7)C(Dipp)N}2]CuL (Where L = NCCH3, CNBut, CO; Dipp = 2,6-Diisopropylphenyl)
• Authors of publication: H. V. Rasika Dias; Shreeyukta Singh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5786 - 5788
• a: 12.0042 ± 0.0016 Å
• b: 18.811 ± 0.003 Å
• c: 49.657 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11213 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No