Information card for entry 7038356

Structure parameters

• Formula: C44 H54 F28 N6 O4 Zn2
• Calculated formula: C44 H54 F28 N6 O4 Zn2
• SMILES: C1(=NC(=[N]([Zn]2(N1C1CCCCC1)[O](OCC)[Zn]1(N(C(=NC(=[N]1C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(C(F)(F)F)(F)F)C1CCCCC1)[O]2OCC)C1CCCCC1)C(F)(F)C(C(F)(F)F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• 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: 10.8323 ± 0.0017 Å
• b: 11.4141 ± 0.0018 Å
• c: 12.2715 ± 0.0019 Å
• α: 108.695 ± 0.003°
• β: 96.956 ± 0.003°
• γ: 96.245 ± 0.003°
• Cell volume: 1408.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No