Information card for entry 7129964

Structure parameters

• Formula: C62 H86 F3 N2 Na O5 Si Zn
• Calculated formula: C62 H86 F3 N2 Na O5 Si Zn
• Title of publication: Metallation of sensitive fluoroarenes using a potassium TMP-zincate supported by a silyl(bis)amido ligand
• Authors of publication: Mastropierro, Pasquale; Kennedy, Alan R.; Hevia, Eva
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.8242 ± 0.0002 Å
• b: 15.09 ± 0.0002 Å
• c: 25.0756 ± 0.0004 Å
• α: 90°
• β: 109.534 ± 0.002°
• γ: 90°
• Cell volume: 5999.71 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No