Information card for entry 7106309

Structure parameters

• Chemical name: Ti(N2NMe)(NOtBu)(py)
• Formula: C20 H43 N5 O Si2 Ti
• Calculated formula: C20 H43 N5 O Si2 Ti
• SMILES: [Ti]12(=NOC(C)(C)C)(N([Si](C)(C)C)CC[N]2(CCN1[Si](C)(C)C)C)[n]1ccccc1
• 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: 10.055 ± 0.0002 Å
• b: 15.5409 ± 0.0003 Å
• c: 17.4207 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2722.22 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No