Information card for entry 4121925

Structure parameters

• Formula: C60.5 H95 B N4 Ti
• Calculated formula: C60.5 H95 B N4 Ti
• Title of publication: A nitrido salt reagent of titanium.
• Authors of publication: Thompson, Rick; Chen, Chun-Hsing; Pink, Maren; Wu, Gang; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 23
• Pages of publication: 8197 - 8200
• a: 12.5268 ± 0.0006 Å
• b: 13.5257 ± 0.0007 Å
• c: 18.2118 ± 0.0009 Å
• α: 111.117 ± 0.002°
• β: 91.011 ± 0.003°
• γ: 93.247 ± 0.003°
• Cell volume: 2871.5 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No