Information card for entry 7016449

Structure parameters

• Common name: (N((CF3)C(C6F5)N)2)Cu(CNtBu)2
• Formula: C26 H18 Cu F16 N5
• Calculated formula: C26 H18 Cu F16 N5
• SMILES: [Cu]1([N](=C(N=C(N1c1c(c(c(c(c1F)F)F)F)F)C(F)(F)F)C(F)(F)F)c1c(c(c(c(c1F)F)F)F)F)(C#[N]C(C)(C)C)C#[N]C(C)(C)C
• Title of publication: Silver(i) and copper(i) complexes supported by fully fluorinated 1,3,5-triazapentadienyl ligands.
• Authors of publication: Dias, H. V. Rasika; Flores, Jaime A.; Pellei, Maura; Morresi, Barbara; Lobbia, Giancarlo Gioia; Singh, Shreeyukta; Kobayashi, Yoshihiro; Yousufuddin, Muhammed; Santini, Carlo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8569 - 8580
• a: 20.3464 ± 0.0014 Å
• b: 16.8298 ± 0.0012 Å
• c: 19.7746 ± 0.0014 Å
• α: 90°
• β: 115.546 ± 0.001°
• γ: 90°
• Cell volume: 6109.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No