Information card for entry 7111473

Structure parameters

• Formula: C24 H36 F12 N2 O5 P2 Ru
• Calculated formula: C24 H36 F12 N2 O5 P2 Ru
• SMILES: [Ru]123456([OH2])([n]7ccc(OC)cc7c7[n]1ccc(OC)c7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: Aqueous hydrogenation of carbon dioxide catalysed by water-soluble ruthenium aqua complexes under acidic conditions
• Authors of publication: Hayashi, Hideki; Ogo, Seiji; Fukuzumi, Shunichi
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2714 - 2715
• a: 15.511 ± 0.005 Å
• b: 12.878 ± 0.004 Å
• c: 16.84 ± 0.005 Å
• α: 90°
• β: 106.376 ± 0.003°
• γ: 90°
• Cell volume: 3227.3 ± 1.7 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No