Information card for entry 1566339

Structure parameters

• Formula: C25 H47 B N2 P2 Pd
• Calculated formula: C25 H47 B N2 P2 Pd
• SMILES: [Pd]12([P](CN3c4ccccc4N(B23)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C
• Title of publication: Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds
• Authors of publication: Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2391 - 2404
• a: 11.9139 ± 0.0001 Å
• b: 14.4308 ± 0.0002 Å
• c: 32.1655 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5530.12 ± 0.12 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No