Information card for entry 2244146

Structure parameters

• Chemical name: Tris(dicyclohexylamido)(4-fluorobenzonitrile)titanium methyltris(pentafluorophenyl)borate toluene sesquisolvate
• Formula: C72.5 H85 B F16 N4 Ti
• Calculated formula: C72.5 H85 B F16 N4 Ti
• Title of publication: Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2)
• Authors of publication: Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 9
• a: 12.1151 ± 0.0005 Å
• b: 13.2796 ± 0.0006 Å
• c: 21.1662 ± 0.001 Å
• α: 77.916 ± 0.0019°
• β: 88.8857 ± 0.0018°
• γ: 87.9827 ± 0.0018°
• Cell volume: 3327.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes