Information card for entry 7005942

Structure parameters

• Chemical name: dimethylsulfoxide,S-malonate,O,O'-(1,4,7-tritiacyclononane,S,S',S'')- -ruthenium(II) hydrated
• Formula: C11 H22 O6 Ru S4
• Calculated formula: C11 H22 O6 Ru S4
• SMILES: [Ru]123([S]4CC[S]1CC[S]2CC4)([S](=O)(C)C)OC(=O)CC(=O)O3.O
• 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: 9.16 ± 0.003 Å
• b: 8.1 ± 0.003 Å
• c: 23.357 ± 0.005 Å
• α: 90°
• β: 104.8 ± 0.02°
• γ: 90°
• Cell volume: 1675.5 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No