Information card for entry 7001741

Structure parameters

• Common name: (Ti(C5Me5)(N-2,6-C6H3Me2)(PhC(NSiMe3)2))
• Chemical name: [Ti(C5Me5)(N-2,6-C6H3Me2){PhC(NSiMe3)2}]
• Formula: C31 H47 N3 Si2 Ti
• Calculated formula: C31 H47 N3 Si2 Ti
• SMILES: [Ti]12345([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)(=Nc1c(cccc1C)C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)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: 11.672 ± 0.005 Å
• b: 15.361 ± 0.002 Å
• c: 18.018 ± 0.007 Å
• α: 90°
• β: 100.92 ± 0.04°
• γ: 90°
• Cell volume: 3172 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0617
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No