Information card for entry 4327675

Structure parameters

• Formula: C32 H36 Cl2 F6 N3 O6 P Ru S2
• Calculated formula: C31 H34 F6 N3 O6 P Ru S2
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(OS(=O)(=O)C(F)(F)F)[n]3c(cccc3C[N]2(C)C)C[N]1(C)C.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: 9.3763 ± 0.001 Å
• b: 13.484 ± 0.005 Å
• c: 15.946 ± 0.003 Å
• α: 84.23 ± 0.02°
• β: 75.469 ± 0.011°
• γ: 78.13 ± 0.02°
• Cell volume: 1907.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.1893
• Weighted residual factors for significantly intense reflections: 0.1751
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No