Information card for entry 7704777

Structure parameters

• Formula: C36 H34 F4 O3 P2 Ru S
• Calculated formula: C36 H34 F4 O3 P2 Ru S
• Title of publication: Product inhibition in nucleophilic aromatic substitution through DPPPent-supported π-arene catalysis.
• Authors of publication: Mueller, Benjamin R. J.; Schley, Nathan D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 10114 - 10119
• a: 21.85714 ± 0.0002 Å
• b: 9.81404 ± 0.00012 Å
• c: 30.3186 ± 0.0003 Å
• α: 90°
• β: 94.3482 ± 0.0009°
• γ: 90°
• Cell volume: 6484.83 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No