Information card for entry 7005944

Structure parameters

• Chemical name: bis[fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-ruthenium(II)] -(mu-oxalate) bis(triflate)
• Formula: C20 H36 F6 O12 Ru2 S10
• Calculated formula: C20 H36 F6 O12 Ru2 S10
• SMILES: C1C[S]2CC[S]3CC[S]1[Ru]123([S](=O)(C)C)OC2=C(O[Ru]34(O2)([S]2CC[S]3CC[S]4CC2)[S](C)(C)=O)O1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[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: 8.386 ± 0.003 Å
• b: 10.893 ± 0.004 Å
• c: 12.009 ± 0.004 Å
• α: 66.32 ± 0.03°
• β: 76.37 ± 0.03°
• γ: 87.55 ± 0.03°
• Cell volume: 974.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No