Information card for entry 7102307

Structure parameters

• Common name: Cp*Ti(MeC(NiPr)2)(NNMe2)
• Chemical name: Cp*Ti{MeC(NiPr)2}{NNMe2)
• Formula: C20 H38 N4 Ti
• Calculated formula: C20 H35.5 N4 Ti
• Title of publication: New ligand platforms for developing the chemistry of the Ti=N‒NR2 functional group and the insertion of alkynes into the N‒N bond of a Ti=N‒NPh2 ligand
• Authors of publication: Selby, Jonathan D.; Manley, Catherine D.; Feliz, Marta; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 4937 - 4939
• a: 9.3311 ± 0.0002 Å
• b: 14.7945 ± 0.0004 Å
• c: 16.4429 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2269.93 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No