Information card for entry 4111643

Structure parameters

• Formula: C52 H49 F12 N4 O2 P3 Ru S3
• Calculated formula: C52 H49 F12 N4 O2 P3 Ru S3
• Title of publication: Reversible Molecular Switching of Ruthenium Bis(bipyridyl) Groups Bonded to Oligothiophenes: Effect on Electrochemical and Spectroscopic Properties
• Authors of publication: Carolyn Moorlag; Michael O. Wolf; Cornelia Bohne; Brian O. Patrick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6382 - 6393
• a: 16.122 ± 0.002 Å
• b: 15.48 ± 0.002 Å
• c: 22.026 ± 0.003 Å
• α: 90°
• β: 95.67 ± 0.01°
• γ: 90°
• Cell volume: 5470.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No