Information card for entry 7704089

Structure parameters

• Formula: C54 H81.98 O4 P2 Pd
• Calculated formula: C54 H81.98 O4 P2 Pd
• 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: 13.5548 ± 0.0009 Å
• b: 13.7277 ± 0.001 Å
• c: 14.8809 ± 0.001 Å
• α: 67.878 ± 0.001°
• β: 74.021 ± 0.001°
• γ: 86.4 ± 0.002°
• Cell volume: 2463.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 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: 0.0419
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No