Information card for entry 7000938

Structure parameters

• Formula: C41 H38 Cl4 N2 O4 Ru2
• Calculated formula: C40 H36 Cl2 N2 O4 Ru2
• SMILES: [Ru]12([Cl][Ru]3([Cl]1)([n]1c(c4c3cccc4)cc3c(c1)[C@H]1C([C@@H](C3)C1)(C)C)(C#[O])C#[O])([n]1c(c3c2cccc3)cc2c(c1)[C@H]1C([C@@H](C2)C1)(C)C)(C#[O])C#[O]
• Title of publication: μ-Chlorido, μ-hydroxo-bridged dicarbonyl ruthenacycles: synthesis, structure and catalytic properties in hydrogen atom transfer
• Authors of publication: Djukic, Jean-Pierre; Parkhomenko, Ksenia; Hijazi, Akram; Chemmi, Atika; Allouche, Lionel; Brelot, Lydia; Pfeffer, Michel; Ricard, Louis; Le Goff, Xavier-Frédéric
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2695 - 2711
• a: 10.845 ± 0.001 Å
• b: 15.601 ± 0.001 Å
• c: 27.808 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4704.9 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No