Information card for entry 2013707

Structure parameters

• Chemical name: Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)]
• Formula: C28 H20 N2 O8 Ru2
• Calculated formula: C28 H20 N2 O8 Ru2
• SMILES: [Ru]12([Ru](C#[O])(C#[O])(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)[n]1ccccc1)(C#[O])(C#[O])[n]1ccccc1
• Title of publication: Di-μ-benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di-μ-trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]
• Authors of publication: Deacon, Glen B.; Pearson, Pauline; Skelton, Brian W.; Spiccia, Leone; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m537 - m539
• a: 8.6623 ± 0.0003 Å
• b: 18.6501 ± 0.0007 Å
• c: 16.7546 ± 0.0006 Å
• α: 90°
• β: 92.68 ± 0.001°
• γ: 90°
• Cell volume: 2703.79 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.033
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes