Information card for entry 4079204

Structure parameters

• Common name: [N{(C3F7)C(4-(NO2)C6H4)N}2]Cu(C2H4)
• Formula: C22 H12 Cu F14 N5 O4
• Calculated formula: C22 H12 Cu F14 N5 O4
• SMILES: [Cu]12(N(C(=NC(=[N]1c1ccc(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)[CH2]=[CH2]2
• 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: 15.569 ± 0.002 Å
• b: 12.2726 ± 0.0017 Å
• c: 16.054 ± 0.002 Å
• α: 90°
• β: 117.637 ± 0.002°
• γ: 90°
• Cell volume: 2717.5 ± 0.6 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: 0.1216
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2583
• Weighted residual factors for all reflections included in the refinement: 0.2832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No