Information card for entry 4070437

Structure parameters

• Formula: C15 H28 Cl2 N2 Si Ti
• Calculated formula: C15 H28 Cl2 N2 Si Ti
• SMILES: [Ti]12345(N(CCN([Si]([c]61[c]2([c]3([c]4([c]56C)C)C)C)(C)C)C)C)(Cl)Cl
• Title of publication: M−Cl/Si−Cl Preferential Reactivity in Chlorosilyl-Substituted Cyclopentadienyl Early Transition Metal Complexes in Reactions with Amines: Key to Understanding the Nature of the Final Product
• Authors of publication: Paniagua, Cristina; Mosquera, Marta E. G.; Jacobsen, Heiko; Jiménez, Gerardo; Cuenca, Tomás
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6975
• a: 9.644 ± 0.002 Å
• b: 13.3646 ± 0.0003 Å
• c: 14.971 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1929.6 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No