Information card for entry 7704779

Structure parameters

• Formula: C41 H42 Cl2 F3 N O4 P2 Ru S
• Calculated formula: C41 H42 Cl2 F3 N O4 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: 10.27473 ± 0.00016 Å
• b: 15.7066 ± 0.0002 Å
• c: 25.7096 ± 0.0004 Å
• α: 90°
• β: 92.2812 ± 0.0014°
• γ: 90°
• Cell volume: 4145.75 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No