Information card for entry 4327679

Structure parameters

• Formula: C16 H25 F6 N3 O8 Ru S2
• Calculated formula: C16 H25 F6 N3 O8 Ru S2
• SMILES: [Ru]12([OH]CC)(OS(=O)(=O)C(F)(F)F)([n]3c(cccc3C[N]2(C)C)C[N]1(C)C)C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 16- and 18-Electron Ruthenium(II) Complexes of the Neutral, Potentially Tridentate Triamine Ligand 2,6-[Bis(dimethylamino)methyl]pyridine (NN'N)
• Authors of publication: Rob A. T. M. Abbenhuis; Ignacio del Río; Michel M. Bergshoef; Jaap Boersma; Nora Veldman; Anthony L. Spek; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1749 - 1758
• a: 10.1691 ± 0.0009 Å
• b: 10.3133 ± 0.0007 Å
• c: 12.214 ± 0.001 Å
• α: 90°
• β: 101.185 ± 0.007°
• γ: 90°
• Cell volume: 1256.64 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.0589
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No