Information card for entry 4133152

Structure parameters

• Formula: C44 H38 F6 N6 O2 P2 Ru S2
• Calculated formula: C44 H38 F6 N6 O2 P2 Ru S2
• SMILES: [Ru]123(SP(=S)(N4CCOCC4)c4ccc(OC)cc4)([n]4c5c(ccc4c4[n]1c1ccccc1cc4)cccc5)[n]1c(c4[n]2cccc4)cccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Characterization and Biological Activity of a Hydrogen Sulfide-Releasing Red Light-Activated Ruthenium(II) Complex.
• Authors of publication: Woods, Joshua J.; Cao, Jian; Lippert, Alexander R.; Wilson, Justin J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 39
• Pages of publication: 12383 - 12387
• a: 11.9001 ± 0.0002 Å
• b: 13.9565 ± 0.0003 Å
• c: 15.9207 ± 0.0003 Å
• α: 69.733 ± 0.002°
• β: 69.229 ± 0.002°
• γ: 78.64 ± 0.002°
• Cell volume: 2310.95 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0498
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No