Information card for entry 4112201

Structure parameters

• Common name: Ti(NPh)(NHMe2)2(dpma)/[Ti(NPh)(dpma)]2/Et2O/0.5 aniline
• Formula: C62 H78 N14.5 O Ti3
• Calculated formula: C62 H78 N14.5 O Ti3
• Title of publication: Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination
• Authors of publication: Yahong Li; Yanhui Shi; Aaron L. Odom
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1794 - 1803
• a: 14.816 ± 0.003 Å
• b: 15.601 ± 0.003 Å
• c: 16.673 ± 0.003 Å
• α: 72.03 ± 0.03°
• β: 65.48 ± 0.03°
• γ: 64.91 ± 0.03°
• Cell volume: 3134.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No