Information card for entry 7106310

Structure parameters

• Chemical name: Ti{MeN(CH2CH2NSiMe3)(CH2CH2NC(Me)C(Ph)NSiMe3)(OtBu)
• Formula: C24 H46 N4 O Si2 Ti
• Calculated formula: C24 H46 N4 O Si2 Ti
• SMILES: [Ti]123(N([Si](C)(C)C)C(=C(N1CC[N]3(CCN2[Si](C)(C)C)C)C)c1ccccc1)OC(C)(C)C
• Title of publication: Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands
• Authors of publication: Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4926
• a: 9.8318 ± 0.0001 Å
• b: 17.1954 ± 0.0002 Å
• c: 17.3784 ± 0.0002 Å
• α: 90°
• β: 102.963 ± 0.0007°
• γ: 90°
• Cell volume: 2863.15 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0626
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No