Information card for entry 7704088

Structure parameters

• Formula: C44 H74 O4 P2 Pd
• Calculated formula: C44 H74 O4 P2 Pd
• SMILES: [Pd](C1C=C(OC(=O)C=1)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)OC(=O)C
• Title of publication: Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.
• Authors of publication: Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16067 - 16071
• a: 11.5817 ± 0.0011 Å
• b: 17.9358 ± 0.0017 Å
• c: 21.123 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4387.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No