Information card for entry 1574949

Structure parameters

• Formula: C28 H48 Cl2 N2 P2 Ru
• Calculated formula: C28 H48 Cl2 N2 P2 Ru
• Title of publication: Ruthenium-mediated nucleophilic aromatic substitution of hydrogen in benzene.
• Authors of publication: Melnikov, Stanislav; Hwang, Donghun; Gabbert, Philip; Park, Bohyun; Lutz, Martin; Baik, Mu-Hyun; Broere, Daniël L J
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13422 - 13434
• a: 17.0703 ± 0.0003 Å
• b: 22.3344 ± 0.0005 Å
• c: 16.3747 ± 0.0004 Å
• α: 90°
• β: 98.02 ± 0.001°
• γ: 90°
• Cell volume: 6181.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No