Information card for entry 7010022

Structure parameters

• Chemical name: Bis-(N,N-diisopropylcarbamato)bis(triphenylsilanolato)titanium(iv)
• Formula: C50 H58 N2 O6 Si2 Ti
• Calculated formula: C50 H58 N2 O6 Si2 Ti
• SMILES: [Ti]12([O]=C(O1)N(C(C)C)C(C)C)([O]=C(O2)N(C(C)C)C(C)C)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Stepwise substitution of N,N-di-isopropylcarbamato groups of Ti(O2CNiPr2)4 by triphenylsilanol leading from eight- to six- and four-co-ordinated titanium(IV)
• Authors of publication: Daniela Belli Dell'Amico; Fausto Calderazzo; Sandra Ianelli; Luca Labella; Fabio Marchetti; Giancarlo Pelizzi
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4339 - 4342
• a: 11.003 ± 0.001 Å
• b: 13.298 ± 0.002 Å
• c: 18.403 ± 0.003 Å
• α: 83.63 ± 0.01°
• β: 84.05 ± 0.01°
• γ: 66.8 ± 0.01°
• Cell volume: 2454.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1439
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No