Information card for entry 4133764

Structure parameters

• Formula: C21 H37 B N Ti
• Calculated formula: C20.9997 H36.9977 B0.999667 N0.999667 Ti
• Title of publication: Trivalent Titanocene Alkyls and Hydrides as Well-Defined, Highly Active, and Broad Scope Precatalysts for Dehydropolymerization of Amine-Boranes.
• Authors of publication: LaPierre, Etienne A.; Patrick, Brian O.; Manners, Ian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.5727 ± 0.0008 Å
• b: 16.9926 ± 0.0015 Å
• c: 23.2758 ± 0.0018 Å
• α: 71.52 ± 0.004°
• β: 84.686 ± 0.004°
• γ: 76.424 ± 0.004°
• Cell volume: 3125.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No