Information card for entry 4131278

Structure parameters

• Formula: C45 H47 Cl3 In N3 O3 P2 Pd S3
• Calculated formula: C45 H47 Cl3 In N3 O3 P2 Pd S3
• SMILES: [Pd]12([In]34(Cl)(Cl)[n]5c([P]1(c1ccccc1)c1ccccc1)cccc5c1[n]3c(ccc1)c1[n]4c([P]2(c2ccccc2)c2ccccc2)ccc1)Cl.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C
• Title of publication: Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO₂.
• Authors of publication: Takaya, Jun; Iwasawa, Nobuharu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6074 - 6077
• a: 15.37 ± 0.0003 Å
• b: 18.6633 ± 0.0004 Å
• c: 17.1449 ± 0.0003 Å
• α: 90°
• β: 105.464 ± 0.002°
• γ: 90°
• Cell volume: 4740.05 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No