Information card for entry 7001742

Structure parameters

• Common name: (Ti(C5H4Me)(PhC(NSiMe3)2)(OC(O)N(-2,6-C6H3Me2)C(O)O))
• Chemical name: [Ti(C5H4Me){PhC(NSiMe3)2}{OC(O)N(-2,6-C6H3Me2)C(O)O}]
• Formula: C29 H39 N3 O4 Si2 Ti
• Calculated formula: C29 H39 N3 O4 Si2 Ti
• SMILES: [Ti]123456(OC(=O)N(C(=O)O1)c1c(cccc1C)C)([N]([Si](C)(C)C)=C(N2[Si](C)(C)C)c1ccccc1)[c]1([cH]3[cH]6[cH]5[cH]41)C
• Title of publication: Reactions of cyclopentadienyl-amidinate titanium imido compounds with CO2: cycloaddition-extrusion vs. cycloaddition-insertion
• Authors of publication: Guiducci, Aldo E.; Boyd, Catherine L.; Clot, Eric; Mountford, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 30
• Pages of publication: 5960 - 5979
• a: 10.7126 ± 0.0002 Å
• b: 17.2231 ± 0.0004 Å
• c: 16.6483 ± 0.0004 Å
• α: 90°
• β: 90.704°
• γ: 90°
• Cell volume: 3071.45 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0478
• Goodness-of-fit parameter for significantly intense reflections: 0.9819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No