Information card for entry 4065323

Structure parameters

• Formula: C22 H27 Cl N6 O3 Ru S
• Calculated formula: C22 H27 Cl N6 O3 Ru S
• SMILES: c1ccn2[n]1[Ru]134567([c]8(C)[c]6([c]1(C)[c]5([c]3([c]78C)C)C)C)[n]1cccn1C2(S(=O)(=O)[O-])n1ccc[n]41.[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: 12.115 Å
• b: 12.115 Å
• c: 10.3377 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1314.02 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No