Information card for entry 7010021

Structure parameters

• Chemical name: Tetrakis-(N,N-diisopropylcarbamato)titanium(iv)
• Formula: C28 H56 N4 O8 Ti
• Calculated formula: C28 H56 N4 O8 Ti
• SMILES: [Ti]1234(OC(=[O]1)N(C(C)C)C(C)C)(OC(=[O]2)N(C(C)C)C(C)C)(OC(=[O]3)N(C(C)C)C(C)C)[O]=C(O4)N(C(C)C)C(C)C
• 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: 12.589 ± 0.002 Å
• b: 21.768 ± 0.004 Å
• c: 14.617 ± 0.003 Å
• α: 90°
• β: 112.67 ± 0.02°
• γ: 90°
• Cell volume: 3696.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.631
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No