Information card for entry 4063328

Structure parameters

• Formula: C20 H29 Cl2 N Si2 Ti
• Calculated formula: C20 H29 Cl2 N Si2 Ti
• SMILES: [c]123[cH]4[cH]5[c]6([cH]1[Ti]3456(N(c1c(cccc1C)C)[Si]2(C)C)(Cl)Cl)[Si](C)(C)CC=C
• Title of publication: [(Allylsilyl)(η-amidosilyl)-η5-cyclopentadienyl] Group 4 Metal Complexes: Synthesis, Reactivity, and Olefin Polymerization
• Authors of publication: Cristina Ramos; Pascual Royo; Maurizio Lanfranchi; Maria A. Pellinghelli; Antonio Tiripicchio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 445 - 454
• a: 13.118 ± 0.006 Å
• b: 12.472 ± 0.005 Å
• c: 15.82 ± 0.008 Å
• α: 90°
• β: 111.22 ± 0.02°
• γ: 90°
• Cell volume: 2412.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No