Information card for entry 7120763

Structure parameters

• Common name: (PNP-Cy)Y(CH2SiMe3)2
• Chemical name: (2,5-bis((dicyclohexylphosphanyl)methyl)-1H-pyrrol-1-yl)bis((trimethylsilyl)methyl)yttrium
• Formula: C76 H144 N2 P4 Si4 Y2
• Calculated formula: C76 H144 N2 P4 Si4 Y2
• SMILES: [C]123=[CH]4[CH]5=[C]6(CP(C7CCCCC7)C7CCCCC7)[N]72[Y]289%103456(C[Si](C)(C)C)(C[Si](C)(C)C)[C]34=[CH]2[CH]8=[C]9(CP(C2CCCCC2)C2CCCCC2)[N]%104[Y]7(C[Si](C)(C)C)(C[Si](C)(C)C)([P](C1)(C1CCCCC1)C1CCCCC1)[P](C3)(C1CCCCC1)C1CCCCC1
• Title of publication: Efficient and Selective Catalysis for Hydrogenation and Hydrosilation of Alkenes and Alkynes with PNP Complexes of Scandium and Yttrium
• Authors of publication: Levine, Daniel S.; Tilley, T. Don; Andersen, R.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 14.5955 ± 0.0008 Å
• b: 16.201 ± 0.001 Å
• c: 20.8185 ± 0.0012 Å
• α: 79.645 ± 0.003°
• β: 76.624 ± 0.003°
• γ: 80.373 ± 0.003°
• Cell volume: 4670.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No