Information card for entry 1544603

Structure parameters

• Formula: C31 H45 F6 N3 Si2 Zn
• Calculated formula: C31 H45 F6 N3 Si2 Zn
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cccc1CC)CC)C(F)(F)F)C(F)(F)F)c1c(cccc1CC)CC)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide
• Authors of publication: Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1876
• a: 10.5225 ± 0.0011 Å
• b: 11.8495 ± 0.0013 Å
• c: 16.4988 ± 0.0018 Å
• α: 91.643 ± 0.005°
• β: 107.641 ± 0.005°
• γ: 115.266 ± 0.004°
• Cell volume: 1742.8 ± 0.3 ų
• Cell temperature: 100 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: 0.0418
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No