Information card for entry 4065322

Structure parameters

• Formula: C20 H25 Cl N6 O4 Ru S
• Calculated formula: C20 H25 Cl N6 O4 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.O.[Cl-]
• 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: 9.222 ± 0.004 Å
• b: 16.392 ± 0.007 Å
• c: 15.534 ± 0.006 Å
• α: 90°
• β: 104.201 ± 0.002°
• γ: 90°
• Cell volume: 2276.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No