Information card for entry 4087799

Structure parameters

• Formula: C37 H71 N3 P Si6 Y
• Calculated formula: C37 H71 N3 P Si6 Y
• SMILES: [Y](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)(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: 12.2125 ± 0.0003 Å
• b: 16.1022 ± 0.0003 Å
• c: 12.5748 ± 0.0002 Å
• α: 90°
• β: 97.0732 ± 0.0019°
• γ: 90°
• Cell volume: 2453.99 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No