Information card for entry 7048454

Structure parameters

• Formula: C34 H53 N O Ti
• Calculated formula: C34 H53 N O Ti
• Title of publication: FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).
• Authors of publication: Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1516 - 1523
• a: 11.5804 ± 0.0003 Å
• b: 13.551 ± 0.0004 Å
• c: 18.5297 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2907.79 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No