Information card for entry 7038353

Structure parameters

• Formula: C34 H39 F14 N3 Zn
• Calculated formula: C34 H39 F14 N3 Zn
• SMILES: [Zn]1(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)CC
• Title of publication: Fluorinated triazapentadienyl ligand supported ethyl zinc(ii) complexes: reaction with dioxygen and catalytic applications in the Tishchenko reaction.
• Authors of publication: Kulkarni, Naveen V.; Das, Animesh; Ridlen, Shawn G.; Maxfield, Erin; Adiraju, Venkata A. K.; Yousufuddin, Muhammed; Dias, H. V. Rasika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4896 - 4906
• a: 10.2646 ± 0.0006 Å
• b: 12.3503 ± 0.0007 Å
• c: 15.2654 ± 0.0008 Å
• α: 71.628 ± 0.001°
• β: 86.785 ± 0.001°
• γ: 87.163 ± 0.001°
• Cell volume: 1832.65 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No