Information card for entry 4304939

Structure parameters

• Formula: C34 H44 Cl5 O9 Ru2
• Calculated formula: C34 H44 Cl5 O9 Ru2
• SMILES: O1[Ru]234([O]=C5O[Ru]64([O]=C1C(C)(C)Cc1cc(CC(C(=[O]2)O6)(C)C)ccc1)([O]=C(O3)C(C)(C)Cc1cc(CC5(C)C)ccc1)[OH2])Cl.ClCCl.C(Cl)Cl
• Title of publication: Diruthenium(II,III) Bis(tetramethyl-1,3-benzenedipropionate) as a Novel Catalyst for tert-Butyl Hydroperoxide Oxygenation
• Authors of publication: Julia E. Barker; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2264 - 2266
• a: 16.9347 ± 0.0007 Å
• b: 21.6624 ± 0.001 Å
• c: 11.2152 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4114.3 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No