Information card for entry 4088277

Structure parameters

• Formula: C27 H32 F6 N2 Zn
• Calculated formula: C27 H32 F6 N2 Zn
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cccc1CC)CC)C(F)(F)F)C(F)(F)F)c1c(cccc1CC)CC)CC
• Title of publication: Electron-Deficient β-Diiminato-Zinc-Ethyl Complexes: Synthesis, Structure, and Reactivity in Ring-Opening Polymerization of Lactones
• Authors of publication: Kronast, Alexander; Reiter, Marina; Altenbuchner, Peter T.; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 681
• a: 12.4913 ± 0.0007 Å
• b: 10.724 ± 0.0006 Å
• c: 20.1647 ± 0.0011 Å
• α: 90°
• β: 96.137 ± 0.003°
• γ: 90°
• Cell volume: 2685.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0329
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No