Information card for entry 4311591

Structure parameters

• Common name: [N{(C3F7)C(Dipp)N}2]CuCO
• Formula: C33 H34 Cu F14 N3 O
• Calculated formula: C33 H34 Cu F14 N3 O
• SMILES: C([Cu]1N(C(=NC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)c1c(cccc1C(C)C)C(C)C)#[O]
• 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: 10.2756 ± 0.0004 Å
• b: 11.6283 ± 0.0005 Å
• c: 16.6953 ± 0.0006 Å
• α: 102.529 ± 0.001°
• β: 97.18 ± 0.001°
• γ: 109.224 ± 0.001°
• Cell volume: 1796.56 ± 0.12 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No