Information card for entry 7103463

Structure parameters

• Chemical name: Ti(N2Npy)(py)(NC(Ph)C(Me)NPh2) . 0.5(Et2O)
• Formula: C43 H57 N6 O0.5 Si2 Ti
• Calculated formula: C43 H57 N6 O0.5 Si2 Ti
• Title of publication: Cycloaddition reactions of transition metal hydrazides with alkynes and heteroalkynes: coupling of Ti=NNPh2 with PhCCMe, PhCCH, MeCN and tBuCP.
• Authors of publication: Selby, Jonathan D; Schulten, Christian; Schwarz, Andrew D; Stasch, Andreas; Clot, Eric; Jones, Cameron; Mountford, Philip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5101 - 5103
• a: 39.2342 ± 0.001 Å
• b: 10.6636 ± 0.0003 Å
• c: 20.7574 ± 0.0006 Å
• α: 90°
• β: 102.084 ± 0.0015°
• γ: 90°
• Cell volume: 8492 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No