Information card for entry 4327039

Structure parameters

• Chemical name: Ti(N2Npy)(NOtBu)(py)
• Formula: C24 H43 N5 O Si2 Ti
• Calculated formula: C24 H43 N5 O Si2 Ti
• SMILES: [Ti]12(=NOC(C)(C)C)(N([Si](C)(C)C)CC(CN1[Si](C)(C)C)(C)c1[n]2cccc1)[n]1ccccc1
• Title of publication: Titanium tert-Butoxyimido Compounds
• Authors of publication: Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12155 - 12171
• a: 11.7489 ± 0.0001 Å
• b: 13.0941 ± 0.0001 Å
• c: 19.9417 ± 0.0002 Å
• α: 88.0987 ± 0.0004°
• β: 83.6658 ± 0.0005°
• γ: 82.3062 ± 0.0004°
• Cell volume: 3021.15 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No