Information card for entry 4101850

Structure parameters

• Formula: C24 H39 F24 N9 O P4 Ru
• Calculated formula: C24 H39 F24 N9 O P4 Ru
• SMILES: c1cc(cc[n]1[Ru]([n]1ccc(cc1)c1cc[n+](cc1)C)([NH3])([NH3])([NH3])[NH3])c1cc[n+](cc1)C.F[P](F)(F)([F-])(F)F.[F-][P](F)(F)(F)(F)F.F[P](F)(F)([F-])(F)F.F[P](F)(F)([F-])(F)F.C(#N)C.O
• Title of publication: Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores
• Authors of publication: Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1706 - 1723
• a: 11.0075 ± 0.0011 Å
• b: 18.0498 ± 0.0019 Å
• c: 11.1488 ± 0.0011 Å
• α: 90°
• β: 103.942 ± 0.007°
• γ: 90°
• Cell volume: 2149.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No