Information card for entry 4110079

Structure parameters

• Common name: [Ru2(DPhF)3(OAc)(H2O)](CF3SO3), thf
• Formula: C46 H46 F3 N6 O7 Ru2 S
• Calculated formula: C46 H46 F3 N6 O7 Ru2 S
• Title of publication: How Small Variations in Crystal Interactions Affect Macroscopic Properties
• Authors of publication: F. Albert Cotton; Santiago Herrero; Reyes Jiménez-Aparicio; Carlos A. Murillo; Francisco A. Urbanos; Dino Villagrán; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12666 - 12667
• a: 22.9779 ± 0.0016 Å
• b: 23.6451 ± 0.0017 Å
• c: 17.8121 ± 0.0013 Å
• α: 90°
• β: 99.267 ± 0.001°
• γ: 90°
• Cell volume: 9551.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No