Information card for entry 7131729

Structure parameters

• Formula: C22 H45 Li N4 Si
• Calculated formula: C22 H45 Li N4 Si
• SMILES: [Si](C(c1ccccc1)[Li]12[N](CC[N]1(C)C)(CC[N]2(C)C)CCN(C)C)(C)(C)C
• Title of publication: Monomeric lithium and sodium silylbenzyl complexes: syntheses, structures, and CO bond olefination.
• Authors of publication: Barker, Jordan; Davison, Nathan; Waddell, Paul G.; Lu, Erli
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 8083 - 8086
• a: 9.8325 ± 0.0003 Å
• b: 15.373 ± 0.0005 Å
• c: 17.1794 ± 0.0005 Å
• α: 90°
• β: 93.668 ± 0.003°
• γ: 90°
• Cell volume: 2591.43 ± 0.14 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0479
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No