Information card for entry 7001397

Structure parameters

• Common name: [Cp*TiMe(ONMe)2CH2]
• Formula: C14 H26 N2 O2 Ti
• Calculated formula: C14 H26 N2 O2 Ti
• SMILES: [Ti]1234567(O[N]2(C)C[N]3(O1)C)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)C
• Title of publication: Bis-hydroxylaminato group 4 half-sandwich complexes—syntheses, structures and polymerisation activity studies
• Authors of publication: Willner, Alexander; Niemeyer, Jochen; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4473 - 4480
• a: 8.1352 ± 0.0013 Å
• b: 8.6112 ± 0.0014 Å
• c: 12.593 ± 0.002 Å
• α: 78.397 ± 0.018°
• β: 86.828 ± 0.018°
• γ: 65.249 ± 0.016°
• Cell volume: 784.4 ± 0.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 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 all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No