Information card for entry 4333172

Structure parameters

• Formula: C31 H29 F6 N4 O4 P Ru S
• Calculated formula: C28 H23 F6 N4 O3 P Ru S
• SMILES: [Ru]123([S](=O)(c4ccccc4C(=O)O1)C)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Phototriggered S →O Isomerization of a Ruthenium-Bound Chelating Sulfoxide
• Authors of publication: Butcher, Jr., Dennis P.; Rachford, Aaron A.; Petersen, Jeffrey L.; Rack, Jeffrey J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9178 - 9180
• a: 7.6509 ± 0.0004 Å
• b: 13.7707 ± 0.0008 Å
• c: 15.926 ± 0.0009 Å
• α: 92.779 ± 0.001°
• β: 93.312 ± 0.001°
• γ: 104.249 ± 0.001°
• Cell volume: 1620.19 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No