Information card for entry 7032652

Structure parameters

• Formula: C35 H32 F12 N4 P2 Ru S2
• Calculated formula: C35 H32 F12 N4 P2 Ru S2
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[S](c1ccccc1)CCC[S]4c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ultrafast spectroscopy and structural characterization of a photochromic isomerizing ruthenium bis-sulfoxide complex.
• Authors of publication: King, Albert W.; Malizia, Jason P.; Engle, James T.; Ziegler, Christopher J.; Rack, Jeffrey J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 17847 - 17855
• a: 13.534 ± 0.007 Å
• b: 19.469 ± 0.01 Å
• c: 14.094 ± 0.007 Å
• α: 90°
• β: 99.475 ± 0.006°
• γ: 90°
• Cell volume: 3663 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No