Information card for entry 4302400

Structure parameters

• Formula: C20 H36 Cl2 F12 N2 P2 Ru2 S8
• Calculated formula: C20 H36 Cl2 F12 N2 P2 Ru2 S8
• Title of publication: Mixed Valence Creutz‒Taube Ion Analogues Incorporating Thiacrowns: Synthesis, Structure, Physical Properties, and Computational Studies
• Authors of publication: Adams, Harry; Costa, Paulo J.; Newell, Mike; Vickers, Steven J.; Ward, Michael D.; Félix, Vítor; Thomas, Jim A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5584 - 5584
• a: 21.286 ± 0.002 Å
• b: 21.286 ± 0.002 Å
• c: 9.5157 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4311.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338555
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No