Information card for entry 4112205

Structure parameters

• Common name: Ti(NNMe2)(dpma).1/2 toluene
• Formula: C33 H46 N10 Ti2
• Calculated formula: C33 H46 N10 Ti2
• SMILES: [Ti]1234([Ti]5678(n9cccc9C[N]6(Cc6n5ccc6)C)(N3[N]7(C)C)N4[N]8(C)C)n3cccc3C[N]2(Cc2n1ccc2)C.c1(ccccc1)C
• 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: 8.2439 ± 0.0014 Å
• b: 21.395 ± 0.004 Å
• c: 19.18 ± 0.003 Å
• α: 90°
• β: 92.23 ± 0.003°
• γ: 90°
• Cell volume: 3380.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No