Information card for entry 7714838

Structure parameters

• Formula: C28 H40 Cl P2 Ru
• Calculated formula: C28 H40 Cl P2 Ru
• SMILES: [Ru]12(Cl)[P](c3cccc4c3C=2c2c(C4(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO₂.
• Authors of publication: Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1862 - 1869
• a: 9.0549 ± 0.0005 Å
• b: 17.2496 ± 0.0009 Å
• c: 17.9774 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2808 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No