Information card for entry 4075267

Structure parameters

• Formula: C35 H59 Cl N3 Si2 Ti
• Calculated formula: C35 H59 Cl N3 Si2 Ti
• SMILES: [Ti]1(Cl)([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction
• Authors of publication: Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2725
• a: 20.628 ± 0.003 Å
• b: 18.05 ± 0.003 Å
• c: 20.269 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7547 ± 2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No