Information card for entry 4350291

Structure parameters

• Formula: C25 H23 F3 N4 O6 Ru S2
• Calculated formula: C25 H23 F3 N4 O6 Ru S2
• SMILES: [Ru]123([S](=O)(C)C)(OC(=O)c4[n]3c(ccc4)C)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Efficient energy conversion in photochromic ruthenium DMSO complexes.
• Authors of publication: Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5953 - 5960
• a: 9.2982 ± 0.001 Å
• b: 16.4914 ± 0.0019 Å
• c: 18.014 ± 0.002 Å
• α: 90°
• β: 91.217 ± 0.002°
• γ: 90°
• Cell volume: 2761.6 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No