Information card for entry 4074673

Structure parameters

• Chemical name: [Ti(C5Me5){OC(NC6H5)N(2,6-C6H3Me2)}{MeC(N-iPr)2}]
• Formula: C34 H47 N4 O Ti
• Calculated formula: C34 H47 N4 O Ti
• SMILES: [Ti]123456([N](C(C)C)=C(N1C(C)C)C)(N(C(=Nc1ccc(cc1)C)O2)c1c(cccc1C)C)[c]1([c]5([c]6([c]3([c]41C)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: 9.5758 ± 0.0003 Å
• b: 9.9197 ± 0.0003 Å
• c: 17.2651 ± 0.0006 Å
• α: 82.229 ± 0.001°
• β: 78.344 ± 0.001°
• γ: 84.112 ± 0.001°
• Cell volume: 1586.63 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No