Information card for entry 4069339

Structure parameters

• Formula: C39 H56 N2 Si
• Calculated formula: C39 H56 N2 Si
• SMILES: [Si@]12(N(C(=C[C@]2([C@]2([C@@]1(C(=C)C(=C2C)C)C)C)C)C)c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C.[Si@@]12(N(C(=C[C@@]2([C@@]2([C@]1(C(=C)C(=C2C)C)C)C)C)C)c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Reaction of the (Pentamethylcyclopentadienyl)silicon(II) Cation with a Sterically Encumbered β-Diketiminato Anion: Unexpected Formation of a Tricyclic Silicon(IV) Compound
• Authors of publication: Jutzi, Peter; Leszczyńska, Kinga; Mix, Andreas; Neumann, Beate; Schoeller, Wolfgang W.; Stammler, Hans-Georg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 1985
• a: 11.1676 ± 0.0003 Å
• b: 11.2054 ± 0.0002 Å
• c: 14.1174 ± 0.0003 Å
• α: 92.5007 ± 0.0014°
• β: 100.875 ± 0.0011°
• γ: 93.9357 ± 0.0014°
• Cell volume: 1727.91 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No