Information card for entry 4317849

Structure parameters

• Formula: C20 H38 Cl4 N4 O4 Ru2 S6
• Calculated formula: C20 H38 Cl4 N4 O4 Ru2 S6
• SMILES: C1[S]2CC[S]3CC[S]([Ru]423(Cl)[n]2c3c5[n](ccc[n]45)[Ru]45([S]6CC[S]4CC[S]5CC6)(Cl)[n]3ccc2)C1.[Cl-].O.O.[Cl-].O.O
• Title of publication: RuII Electron Transfer Systems Containing S-Donor Ligands
• Authors of publication: Cordélia S. Araújo; Michael G. B. Drew; Vítor Félix; Lorna Jack; João Madureira; Mike Newell; Sue Roche; Teresa M. Santos; Jim A. Thomas; Lesley Yellowlees
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2250 - 2259
• a: 10.929 ± 0.014 Å
• b: 13.514 ± 0.017 Å
• c: 11.299 ± 0.016 Å
• α: 90°
• β: 90.52 ± 0.01°
• γ: 90°
• Cell volume: 1669 ± 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2139
• 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