Information card for entry 4070438

Structure parameters

• Formula: C24 H40 Cl4 N2 Si2 Ti2
• Calculated formula: C24 H40 Cl4 N2 Si2 Ti2
• SMILES: [C]123[c]4([c]5([c]6([c]1(C)[Ti]3456(N(CCN1[Si]([c]34[c]5([c]6([c]7([c]3(C)[Ti]14567(Cl)Cl)C)C)C)(C)C)[Si]2(C)C)(Cl)Cl)C)C)C
• 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: 8.588 ± 0.0007 Å
• b: 12.153 ± 0.003 Å
• c: 15.442 ± 0.003 Å
• α: 90°
• β: 93.376 ± 0.01°
• γ: 90°
• Cell volume: 1608.9 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No