Information card for entry 7006637

Structure parameters

• Formula: C32 H40 Cl4 N4 O8 Ru2 S4
• Calculated formula: C32 H40 Cl4 N4 O8 Ru2 S4
• SMILES: c12cccc[n]2[Ru]234([n]5c(CC[S]3CC[S]2CC1)cccc5)[Cl][Ru]123([n]5c(cccc5)CC[S]3CC[S]2CCc2cccc[n]12)[Cl]4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the "cis-alpha" diastereoisomer and unusual 3MC emission by dimeric complexes.
• Authors of publication: Murali, Mariappan; Palaniandavar, Mallayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 730 - 743
• a: 12.114 ± 0.005 Å
• b: 14.316 ± 0.003 Å
• c: 23.104 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4007 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No