Information card for entry 4111955

Structure parameters

• Formula: C28 H39 Cl2 N2 O P Si2 Ti
• Calculated formula: C28 H39 Cl2 N2 O P Si2 Ti
• Title of publication: Formation of Phosphorus-Nitrogen Bonds by Reduction of a Titanium Phosphine Complex under Molecular Nitrogen
• Authors of publication: Lara Morello; Peihua Yu; Christopher D. Carmichael; Brian O. Patrick; Michael D. Fryzuk
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12796 - 12797
• a: 8.6354 ± 0.0007 Å
• b: 20.9776 ± 0.0016 Å
• c: 8.8355 ± 0.0007 Å
• α: 90°
• β: 92.563 ± 0.004°
• γ: 90°
• Cell volume: 1598.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No