Information card for entry 4337004

Structure parameters

• Formula: C72 H100 N2 Ti
• Calculated formula: C72 H100 N2 Ti
• Title of publication: Synthesis and Characterization of the Titanium Bisamide Ti{N(H)AriPr6}2 (AriPr6= C6H3-2,6-(C6H2-2,4,6-iPr3)2 and Its TiCl{N(H)AriPr6}2 Precursor: Ti(II) →Ti(IV) Cyclization
• Authors of publication: Jessica N. Boynton; Jing-Dong Guo; Fernande Grandjean; James C. Fettinger; Shigeru Nagase; Gary J. Long; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14216 - 14223
• a: 12.8989 ± 0.0015 Å
• b: 13.5582 ± 0.0016 Å
• c: 20.951 ± 0.002 Å
• α: 76.306 ± 0.005°
• β: 88.769 ± 0.005°
• γ: 63.044 ± 0.005°
• Cell volume: 3157.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes