Information card for entry 4087219

Structure parameters

• Formula: C25 H44 O3 P2 Pd
• Calculated formula: C25 H44 O3 P2 Pd
• SMILES: c12c3cccc1C[P](C(C)(C)C)(C(C)(C)C)[Pd]2(OC(=O)O)[P](C3)(C(C)(C)C)C(C)(C)C
• Title of publication: Photolysis of Pincer-Ligated PdII‒Me Complexes in the Presence of Molecular Oxygen
• Authors of publication: Smoll, Karena A.; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1213
• a: 12.2751 ± 0.0007 Å
• b: 15.1747 ± 0.001 Å
• c: 16.0414 ± 0.001 Å
• α: 90°
• β: 106.188 ± 0.003°
• γ: 90°
• Cell volume: 2869.6 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No