Information card for entry 7133519

Structure parameters

• Formula: C33 H54 Cl2 N3 P Pd Si
• Calculated formula: C33 H54 Cl2 N3 P Pd Si
• Title of publication: A hybrid silylene-Pd catalyst: efficient C-N cross-coupling of sterically bulky amines and chiral amines.
• Authors of publication: Kaulage, Sandeep H.; Parvin, Nasrina; Khopade, Kishor V.; Khan, Shabana
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 73
• Pages of publication: 9958 - 9961
• a: 11.502 ± 0.002 Å
• b: 12.782 ± 0.003 Å
• c: 12.058 ± 0.002 Å
• α: 90 ± 0.03°
• β: 94.41 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1767.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No