Information card for entry 4111956

Structure parameters

• Formula: C62 H78 N6 P2 Si4 Ti2
• Calculated formula: C62 H78 N6 P2 Si4 Ti2
• SMILES: C1[Si](C)(C)N(c2ccccc2)[Ti]234N(c5ccccc5)[Si](CP1(c1ccccc1)=[N]2[Ti]124N(c4ccccc4)[Si](CP(C[Si](C)(C)N1c1ccccc1)(c1ccccc1)=[N]32)(C)C)(C)C.c1(ccccc1)C.c1(ccccc1)C
• 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: 15.764 ± 0.0009 Å
• b: 17.9296 ± 0.001 Å
• c: 22.562 ± 0.0014 Å
• α: 90°
• β: 96.006 ± 0.002°
• γ: 90°
• Cell volume: 6342 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No