Information card for entry 7005941

Structure parameters

• Chemical name: dimethylsulfoxide,S-(eta2-oxalate,O,O')-(1,4,7-tritiacyclononane,S,S',S'')- -ruthenium(II) hydrated
• Formula: C10 H18 O5.5 Ru S4
• Calculated formula: C10 H18 O5.5 Ru S4
• Title of publication: Half-sandwich RuII-[9]aneS3 complexes with dicarboxylate ligands: synthesis, characterization and chemical behavior.
• Authors of publication: Bratsos, Ioannis; Birarda, Giovanni; Jedner, Stephanie; Zangrando, Ennio; Alessio, Enzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 36
• Pages of publication: 4048 - 4058
• a: 10.38 ± 0.003 Å
• b: 12.439 ± 0.003 Å
• c: 12.842 ± 0.004 Å
• α: 90°
• β: 105.72 ± 0.03°
• γ: 90°
• Cell volume: 1596.1 ± 0.8 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: 0.0681
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No