Information card for entry 4337003

Structure parameters

• Formula: C84 H126 Cl N2 Ti
• Calculated formula: C84 H126 Cl 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: 14.73 ± 0.0005 Å
• b: 15.2643 ± 0.0005 Å
• c: 19.6629 ± 0.0006 Å
• α: 87.7219 ± 0.0005°
• β: 72.4363 ± 0.0004°
• γ: 65.1037 ± 0.0004°
• Cell volume: 3803.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes