Information card for entry 4311589

Structure parameters

• Common name: [N{(C3F7)C(Dipp)N}2]H
• Formula: C32 H35 F14 N3
• Calculated formula: C32 H35 F14 N3
• SMILES: N(C(=NC(=Nc1c(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
• 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: 10.253 ± 0.002 Å
• b: 10.309 ± 0.002 Å
• c: 17.601 ± 0.004 Å
• α: 92.937 ± 0.003°
• β: 95.568 ± 0.003°
• γ: 115.824 ± 0.002°
• Cell volume: 1657.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No