Information card for entry 7002252

Structure parameters

• Common name: TAP(Dipp)Cu(C2H4)
• Formula: C34 H38 Cu F14 N3
• Calculated formula: C34 H38 Cu F14 N3
• SMILES: [Cu]12(N(C(=NC(=[N]1c1c(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)[CH2]=[CH2]2
• Title of publication: Synthesis and catalytic activity of an electron-deficient copper–ethylene triazapentadienyl complex
• Authors of publication: Flores, Jaime A.; Badarinarayana, Vivek; Singh, Shreeyukta; Lovely, Carl J.; Dias, H. V. Rasika
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7648 - 7652
• a: 10.4857 ± 0.0004 Å
• b: 23.4593 ± 0.0009 Å
• c: 14.902 ± 0.0006 Å
• α: 90°
• β: 97.622 ± 0.001°
• γ: 90°
• Cell volume: 3633.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No