Information card for entry 7714840

Structure parameters

• Formula: C32 H50 Cl2 N2 P2 Ru
• Calculated formula: C32 H50 Cl2 N2 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)[P](c3cc(N(C)C)cc4C(c5cc(N(C)C)cc([P]1(C(C)C)C(C)C)c5C=2c34)(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: 19.0383 ± 0.001 Å
• b: 9.7315 ± 0.0005 Å
• c: 18.7775 ± 0.0009 Å
• α: 90°
• β: 104.432 ± 0.002°
• γ: 90°
• Cell volume: 3369.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No