Information card for entry 4072258

Structure parameters

• Chemical name: [Ti(NtBu)(Me3[9]aneN3){Me3SiCH2C(NiPr)2}][BArF4]
• Formula: C48 H55 B F20 N6 Si Ti
• Calculated formula: C48 H55 B F20 N6 Si Ti
• Title of publication: TiNR vs Ti−R′ Functional Group Selectivity in Titanium Imido Alkyl Cations from an Experimental Perspective
• Authors of publication: Bolton, Paul D.; Feliz, Marta; Cowley, Andrew R.; Clot, Eric; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6096
• a: 11.9619 ± 0.0002 Å
• b: 12.7619 ± 0.0002 Å
• c: 17.984 ± 0.0002 Å
• α: 75.5723 ± 0.0005°
• β: 80.1952 ± 0.0005°
• γ: 86.9238 ± 0.0005°
• Cell volume: 2619.78 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0652
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No