Information card for entry 4074670

Structure parameters

• Chemical name: [Ti(C5Me5)(N-2,6-C6H3Me2){MeC(N-iPr)2}]
• Formula: C26 H41 N3 Ti
• Calculated formula: C26 H41 N3 Ti
• SMILES: [Ti]12345([N](=C(N1C(C)C)C)C(C)C)(=Nc1c(cccc1C)C)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C
• Title of publication: Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
• Authors of publication: Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1167 - 1187
• a: 20.5223 ± 0.0004 Å
• b: 20.5223 ± 0.0004 Å
• c: 24.3873 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10271.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0434
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No