Information card for entry 4128770

Structure parameters

• Formula: C66 H118 K2 N2 O10 P4 Ru2
• Calculated formula: C66 H118 K2 N2 O10 P4 Ru2
• Title of publication: Thermodynamic Analysis of Metal-Ligand Cooperativity of PNP Ru Complexes: Implications for CO₂ Hydrogenation to Methanol and Catalyst Inhibition.
• Authors of publication: Mathis, Cheryl L.; Geary, Jackson; Ardon, Yotam; Reese, Maxwell S.; Philliber, Mallory A.; VanderLinden, Ryan T.; Saouma, Caroline T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14317 - 14328
• a: 16.3158 ± 0.0005 Å
• b: 12.7484 ± 0.0004 Å
• c: 18.5646 ± 0.0006 Å
• α: 90°
• β: 91.285 ± 0.001°
• γ: 90°
• Cell volume: 3860.5 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No