Information card for entry 4075649

Structure parameters

• Common name: Compound 1
• Formula: C91 H102 N2 Si8
• Calculated formula: C91 H102 N2 Si8
• SMILES: C(=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1)=N[Si](CC[Si](C)(c1ccccc1)c1ccccc1)(CC[Si](C)(c1ccccc1)c1ccccc1)CC[Si](C)(c1ccccc1)c1ccccc1
• Title of publication: Neutral and Cationic Aluminum and Titanium Complexes Incorporating Sterically Demanding Organosilicon Ligands
• Authors of publication: Amo, Virginia; Andrés, Román; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, M. Pilar; Turner, John F. C.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2331
• a: 13.394 ± 0.003 Å
• b: 32.088 ± 0.003 Å
• c: 10.1033 ± 0.0019 Å
• α: 90°
• β: 101.743 ± 0.01°
• γ: 90°
• Cell volume: 4251.4 ± 1.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.1203
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No