Information card for entry 4065324

Structure parameters

• Formula: C20 H23 B F4 N6 O3 Ru S
• Calculated formula: C20 H23 B F4 N6 O3 Ru S
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]1723456[n]2cccn2C(n2ccc[n]12)(n1ccc[n]71)S(=O)(=O)[O-])C)C(C)C.[B](F)(F)(F)[F-]
• Title of publication: Ruthenium(II) Arene Complexes Bearing Tris(pyrazolyl)methanesulfonate Capping Ligands. Electrochemistry, Spectroscopic, and X-ray Structural Characterization
• Authors of publication: Marchetti, Fabio; Pettinari, Claudio; Pettinari, Riccardo; Cerquetella, Adele; Martins, Luísa M. D. R. S.; Guedes da Silva, M. Fátima C.; Silva, Telma F. S.; Pombeiro, Armando J. L.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6180
• a: 8.8436 ± 0.001 Å
• b: 10.5078 ± 0.001 Å
• c: 12.6238 ± 0.0014 Å
• α: 89.147 ± 0.006°
• β: 74.966 ± 0.007°
• γ: 86.404 ± 0.006°
• Cell volume: 1130.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0367
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No