Information card for entry 1559718

Structure parameters

• Formula: C24 H36 N2 Si
• Calculated formula: C24 H36 N2 Si
• SMILES: [Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)C1C(=C(C(=C1C)C)C)C
• Title of publication: A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination
• Authors of publication: Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 46
• Pages of publication: 12446 - 12452
• a: 14.931 ± 0.003 Å
• b: 8.6942 ± 0.0017 Å
• c: 18.187 ± 0.004 Å
• α: 90°
• β: 107.5 ± 0.03°
• γ: 90°
• Cell volume: 2251.6 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No