Information card for entry 7048456

Structure parameters

• Formula: C66 H61.5 B Br0.5 Cl2 F15 N O Ti
• Calculated formula: C66 H61.5 B Br0.5 Cl2 F15 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: 11.9091 ± 0.0009 Å
• b: 14.5982 ± 0.0011 Å
• c: 18.1227 ± 0.0013 Å
• α: 71.5865 ± 0.0018°
• β: 78.135 ± 0.0019°
• γ: 80.585 ± 0.002°
• Cell volume: 2908.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No