Information card for entry 7714839

Structure parameters

• Formula: C56 H86 P4 Ru2
• Calculated formula: C56 H86 P4 Ru2
• SMILES: [RuH]1234([H][RuH]562([H]1)[P](c1c2c(ccc1)C(c1c(c([P]5(C(C)C)C(C)C)ccc1)C62)(C)C)(C(C)C)C(C)C)[P](c1c2c(ccc1)C(c1c(c([P]3(C(C)C)C(C)C)ccc1)C42)(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: 10.9417 ± 0.0007 Å
• b: 14.5639 ± 0.0011 Å
• c: 17.1311 ± 0.001 Å
• α: 106.789 ± 0.004°
• β: 90.328 ± 0.004°
• γ: 91.71 ± 0.005°
• Cell volume: 2612.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No