Information card for entry 7005945

Structure parameters

• Chemical name: fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-ruthenium(II)-(mu-oxalate)- fac-tris(dimethylsulfoxide,S)-(triflate,O)-ruthenium(II) triflate chloroform solvate
• Formula: C18.5 H36.5 Cl1.5 F6 O14 Ru2 S9
• Calculated formula: C18.5 H36.5 Cl1.5 F6 O14 Ru2 S9
• 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: 16.558 ± 0.004 Å
• b: 41.174 ± 0.007 Å
• c: 12.341 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8414 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No