Information card for entry 7110432

Structure parameters

• Formula: C38 H35 B F15 N Si Ti
• Calculated formula: C38 H35 B F15 N Si Ti
• SMILES: [Ti]12345678(N(C(C)(C)C)[Si]([c]19[c]5([c]6([c]7([c]89C)C)C)C)(C)C)[CH2]([B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[CH]2=[CH]3C4C
• Title of publication: Novel zwitterionic complexes of Ti(IV) via reaction of Lewis acids M(C6F5)3 (M = B, Al) with a titanium diene complex (η5-C5Me4SiMe2NtBu)Ti(1,3-pentadiene)
• Authors of publication: Cowley, Alan H.; Hair, Gregory S.; McBurnett, Brian G.; Jones, Richard A.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 437
• a: 10.243 ± 0.001 Å
• b: 11.376 ± 0.001 Å
• c: 16.419 ± 0.002 Å
• α: 78.67 ± 0.01°
• β: 79.45 ± 0.01°
• γ: 84.85 ± 0.01°
• Cell volume: 1841.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.1092
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No