Information card for entry 1518338

Structure parameters

• Formula: C36 H54 F18 N15 P3 Ru3 S9
• Calculated formula: C36 H54 F18 N15 P3 Ru3 S9
• Title of publication: Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry
• Authors of publication: Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1334
• a: 27.5079 ± 0.0016 Å
• b: 16.0629 ± 0.0009 Å
• c: 14.4082 ± 0.001 Å
• α: 90°
• β: 108.033 ± 0.004°
• γ: 90°
• Cell volume: 6053.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No