Information card for entry 4064432

Structure parameters

• Formula: C16 H30 Cl2 N2 Si Ti
• Calculated formula: C16 H30 Cl2 N2 Si Ti
• SMILES: [Ti]12345(N(CCCN([Si]([c]61[c]2([c]3([c]4([c]56C)C)C)C)(C)C)C)C)(Cl)Cl
• Title of publication: Reactions of [Ti(η5-C5Me4SiMe2Cl)Cl3] with Diamines, a Suitable Approach to Prepare Mono- and Dinuclear Cyclopentadienyl-silyl-amido Titanium Complexes with Constrained and Unstrained Structures
• Authors of publication: Paniagua, Cristina; Mosquera, Marta E. G.; Cuenca, Tomás; Jiménez, Gerardo
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2993
• a: 8.6281 ± 0.0017 Å
• b: 28.265 ± 0.003 Å
• c: 9.2586 ± 0.0018 Å
• α: 90°
• β: 115.094 ± 0.014°
• γ: 90°
• Cell volume: 2044.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No