Information card for entry 7008485

Structure parameters

• Chemical name: bis[(fac-tris(dimethylsulfoxide,S)-aquo-(mu-cyclobutane-1,1-dicarboxylato,O,O') -ruthenium(II)]
• Formula: C24 H52 O16 Ru2 S6
• Calculated formula: C24 H52 O16 Ru2 S6
• SMILES: [Ru]1([OH2])([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)OC(=O)C2(C(=O)O[Ru]([OH2])([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)OC(=O)C3(C(=O)O1)CCC3)CCC2
• Title of publication: The unprecedented bridging coordination mode of 1,1-cyclobutane dicarboxylate (mu-cbdc-O,O') stabilized by intramolecular hydrogen bonds in ruthenium(II) complexes.
• Authors of publication: Bratsos, Ioannis; Zangrando, Ennio; Serli, Barbara; Katsaros, Nikos; Alessio, Enzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 24
• Pages of publication: 3881 - 3885
• a: 8.679 ± 0.003 Å
• b: 21.728 ± 0.004 Å
• c: 20.71 ± 0.004 Å
• α: 90°
• β: 91.06 ± 0.02°
• γ: 90°
• Cell volume: 3904.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No