Information card for entry 4075270

Structure parameters

• Formula: C30 H49 F3 N2 O3 P2 S Si Ti
• Calculated formula: C30 H49 F3 N2 O3 P2 S Si Ti
• SMILES: [Ti]12([P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)(=N[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
• 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: 12.1919 ± 0.0007 Å
• b: 15.1607 ± 0.0009 Å
• c: 21.3558 ± 0.0013 Å
• α: 90°
• β: 106.39 ± 0.002°
• γ: 90°
• Cell volume: 3786.9 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 9
• 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: 0.06
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No