Information card for entry 7006636

Structure parameters

• Formula: C30 H30 Cl2 N6 O8 Ru S2
• Calculated formula: C30 H30 Cl2 N6 O8 Ru S2
• SMILES: c12c(cccc1)[nH]c1CC[S]3CC[S]4CCc5[n](c6ccccc6[nH]5)[Ru]534([n]21)[n]1ccccc1c1cccc[n]51.[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: 12.123 ± 0.005 Å
• b: 22.873 ± 0.007 Å
• c: 12.63 ± 0.012 Å
• α: 90°
• β: 104.96 ± 0.05°
• γ: 90°
• Cell volume: 3383 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1035
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No