Information card for entry 7017527

Structure parameters

• Formula: C28 H66 Li2 N12 Si2
• Calculated formula: C28 H66 Li2 N12 Si2
• SMILES: [Li]123[N]4(C)C(N(CN(C4)C)C)[Si]([CH2]14)(C)C1N(C)CN(C)C[N]1(C)[Li]14[N]4(C)C(N(CN(C4)C)C)[Si]([CH2]13)(C)C1N(C)CN(C)C[N]12C
• Title of publication: Silylation products of cyclic tri-aminal carbanions and their lithiation.
• Authors of publication: Sicking, Constantin; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 104 - 111
• a: 7.0976 ± 0.0011 Å
• b: 12.225 ± 0.002 Å
• c: 12.2926 ± 0.0017 Å
• α: 61.357 ± 0.006°
• β: 77.351 ± 0.007°
• γ: 86.35 ± 0.006°
• Cell volume: 912.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No