Information card for entry 4087800

Structure parameters

• Formula: C36 H63 N3 P Si4 Y
• Calculated formula: C36 H63 N3 P Si4 Y
• SMILES: [Y](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(N1CCCCC1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Yttrium-Catalyzed Amine‒Silane Dehydrocoupling: Extended Reaction Scope with a Phosphorus-Based Ligand
• Authors of publication: Nako, Adi E.; Chen, Wenyi; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4369
• a: 15.22581 ± 0.00015 Å
• b: 12.86886 ± 0.00012 Å
• c: 22.2415 ± 0.0002 Å
• α: 90°
• β: 101.426 ± 0.001°
• γ: 90°
• Cell volume: 4271.6 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0309
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No