Information card for entry 7009883

Structure parameters

• Formula: C59 H59 O5 P4 Ru2
• Calculated formula: C59 H56 O5 P4 Ru2
• SMILES: [Ru]123([Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C3=O)C#[O])C#[O].CC(=O)C.CC(=O)C
• Title of publication: The interconversion of formic acid and hydrogen/carbon dioxide using a binuclear ruthenium complex catalyst
• Authors of publication: Gao, Yuan; Kuncheria, Joshi K.; Jenkins, Hilary A.; Puddephatt, Richard J.; Yap, Glenn P. A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 3212
• a: 11.583 ± 0.001 Å
• b: 28.557 ± 0.003 Å
• c: 16.783 ± 0.002 Å
• α: 90°
• β: 97.817 ± 0.001°
• γ: 90°
• Cell volume: 5499.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.114
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No