Information card for entry 4080892

Structure parameters

• Chemical name: Ti(N2O)(CH2CH2NC(Me)C(C6H4CF3)NSiMe3)NPh2
• Formula: C32 H43 F3 N4 O Si2 Ti
• Calculated formula: C32 H43 F3 N4 O Si2 Ti
• SMILES: [Ti]123([O](CCN2C(=C(N1[Si](C)(C)C)c1ccc(cc1)C(F)(F)F)C)CCN3[Si](C)(C)C)N(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands
• Authors of publication: Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3091
• a: 20.6564 ± 0.0002 Å
• b: 10.49603 ± 0.00011 Å
• c: 15.80991 ± 0.00017 Å
• α: 90°
• β: 96.128 ± 0.001°
• γ: 90°
• Cell volume: 3408.16 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No