Information card for entry 7704780

Structure parameters

• Formula: C42 H48 F3 N O4.5 P2 Ru S
• Calculated formula: C42 H48 F3 N O4.5 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: 9.87358 ± 0.00018 Å
• b: 16.342 ± 0.0003 Å
• c: 26.1572 ± 0.0006 Å
• α: 75.1534 ± 0.0018°
• β: 86.1993 ± 0.0016°
• γ: 78.7339 ± 0.0016°
• Cell volume: 4000.47 ± 0.14 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No