Information card for entry 7714843

Structure parameters

• Formula: C65 H102 N4 O3 P4 Ru2
• Calculated formula: C65 H102 N4 O3 P4 Ru2
• 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: 22.9521 ± 0.0016 Å
• b: 16.3988 ± 0.0009 Å
• c: 25.3602 ± 0.001 Å
• α: 90°
• β: 107.262 ± 0.002°
• γ: 90°
• Cell volume: 9115.3 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No