Information card for entry 4112197

Structure parameters

• Common name: Ti(NPh)(NHMe2)2(dpma)
• Formula: C22 H34 Cl2 N6 Ti
• Calculated formula: C22 H34 Cl2 N6 Ti
• SMILES: C(Cl)Cl.c1ccc2C[N]3(Cc4cccn4[Ti]3(n12)(=Nc1ccccc1)([NH](C)C)[NH](C)C)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: 9.0217 ± 0.0016 Å
• b: 12.074 ± 0.002 Å
• c: 12.172 ± 0.002 Å
• α: 81.301 ± 0.004°
• β: 78.514 ± 0.004°
• γ: 86.638 ± 0.003°
• Cell volume: 1283.8 ± 0.4 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: 0.0593
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No