Information card for entry 4079206

Structure parameters

• Common name: [N{(C3F7)C(4-NO2C6H4)N}2]Cu(CO)(NCCH3)
• Formula: C23 H11 Cu F14 N6 O5
• Calculated formula: C23 H11 Cu F14 N6 O5
• SMILES: [Cu]1([N](=C(N=C(N1c1ccc(N(=O)=O)cc1)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(N(=O)=O)cc1)([N]#CC)C#[O]
• Title of publication: Copper(I) Ethylene Complexes Supported by 1,3,5-Triazapentadienyl Ligands with Electron-Withdrawing Groups
• Authors of publication: Adiraju, Venkata A.K.; Flores, Jaime A.; Yousufuddin, Muhammed; Dias, H. V. Rasika
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 7926
• a: 11.4598 ± 0.0011 Å
• b: 21.38 ± 0.002 Å
• c: 11.9051 ± 0.0011 Å
• α: 90°
• β: 93.8 ± 0.001°
• γ: 90°
• Cell volume: 2910.5 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.147
• 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