Information card for entry 2244145

Structure parameters

• Chemical name: Tris(dicyclohexylamido)(triphenylphosphine oxide)titanium methyltris(pentafluorophenyl)borate toluene sesquisolvate
• Formula: C83.5 H96 B F15 N3 O P Ti
• Calculated formula: C83.5 H96 B F15 N3 O P 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: 13.8643 ± 0.0005 Å
• b: 14.3017 ± 0.0005 Å
• c: 20.0502 ± 0.0007 Å
• α: 86.4852 ± 0.0013°
• β: 80.0328 ± 0.0013°
• γ: 73.6493 ± 0.0012°
• Cell volume: 3756.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes