Information card for entry 4105113

Structure parameters

• Formula: C35 H57 B N2 O3 Ti
• Calculated formula: C35 H57 B N2 O3 Ti
• Title of publication: Group-4 Transition-Metal Boryl Complexes: Syntheses, Structures, Boron-Metal Bonding Properties, and Application as a Polymerization Catalyst
• Authors of publication: Tomomi Terabayashi; Takashi Kajiwara; Makoto Yamashita; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14162 - 14163
• a: 11.31 ± 0.003 Å
• b: 28.101 ± 0.006 Å
• c: 11.975 ± 0.003 Å
• α: 90°
• β: 101.068 ± 0.0013°
• γ: 90°
• Cell volume: 3735.1 ± 1.6 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No