Information card for entry 7106307

Structure parameters

• Chemical name: Ti(NOtBu)Cl2(NHMe2)2
• Formula: C8 H23 Cl2 N3 O Ti
• Calculated formula: C8 H23 Cl2 N3 O Ti
• SMILES: [Ti](=NOC(C)(C)C)([NH](C)C)([NH](C)C)(Cl)Cl
• 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: 9.6423 ± 0.0001 Å
• b: 11.1483 ± 0.0002 Å
• c: 16.3073 ± 0.0003 Å
• α: 107.031 ± 0.0006°
• β: 90.9663 ± 0.0007°
• γ: 113.441 ± 0.0007°
• Cell volume: 1519.88 ± 0.04 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: 0.0927
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No