Information card for entry 4128497

Structure parameters

• Common name: Sayan052518
• Formula: C31 H31 N O5 P2 Ru
• Calculated formula: C31 H31 N O5 P2 Ru
• Title of publication: Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO₂ to Methanol.
• Authors of publication: Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 3160 - 3170
• a: 8.6522 ± 0.0017 Å
• b: 12.368 ± 0.002 Å
• c: 16.043 ± 0.003 Å
• α: 76.1 ± 0.003°
• β: 83.249 ± 0.003°
• γ: 79.846 ± 0.003°
• Cell volume: 1635.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No