Information card for entry 7001398

Structure parameters

• Common name: Cp*Ti(Me)(ONMeCH2)2
• Formula: C15 H28 N2 O2 Ti
• Calculated formula: C15 H28 N2 O2 Ti
• SMILES: [Ti]1234567(O[N]2(C)CC[N]3(O1)C)([c]1([c]7([c]6([c]5([c]41C)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: 13.138 ± 0.002 Å
• b: 15.313 ± 0.0018 Å
• c: 16.625 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3344.7 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2468
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No