Information card for entry 1566335

Structure parameters

• Formula: C30 H50 P2 Pd Si
• Calculated formula: C30 H50 P2 Pd Si
• SMILES: [Pd]12([P](c3c([Si]1(C)C)cccc3)(C(C)(C)C)C(C)(C)C)[P](c1c2cccc1)(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: 9.5911 ± 0.0005 Å
• b: 9.8051 ± 0.0006 Å
• c: 19.1276 ± 0.0007 Å
• α: 90.444 ± 0.004°
• β: 94.813 ± 0.004°
• γ: 117.164 ± 0.005°
• Cell volume: 1592.59 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No