Information card for entry 4333902

Structure parameters

• Formula: C34 H30 F12 N4 P2 Ru S2
• Calculated formula: C34 H30 F12 N4 P2 Ru S2
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[S](c1ccccc1)CC[S]4c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Sequential Picosecond Isomerizations in a Photochromic Ruthenium Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy
• Authors of publication: Albert W. King; Yuhuan Jin; James T. Engle; Christopher J. Ziegler; Jeffrey J. Rack
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2086 - 2093
• a: 12.3925 ± 0.0018 Å
• b: 16.798 ± 0.003 Å
• c: 17.277 ± 0.003 Å
• α: 89.391 ± 0.002°
• β: 81.72 ± 0.002°
• γ: 89.849 ± 0.002°
• Cell volume: 3558.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No