Information card for entry 7134803

Structure parameters

• Formula: C39 H44 Cl2 P2 Ru S2
• Calculated formula: C39 H44 Cl2 P2 Ru S2
• Title of publication: A highly active sulfur based pincer ruthenium catalyst for CO2 hydrogenation
• Authors of publication: Mondragón-Díaz, Alexander; Kelley, Steven P.; Hazari, Nilay; Bernskoetter, Wesley H.
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 38
• Pages of publication: 6957 - 6960
• a: 38.852 ± 0.004 Å
• b: 14.8412 ± 0.0015 Å
• c: 18.368 ± 0.0018 Å
• α: 90°
• β: 90.004 ± 0.003°
• γ: 90°
• Cell volume: 10591.2 ± 1.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No