Information card for entry 7703556

Structure parameters

• Formula: C26 H36 Cl F6 N2 P Ru S
• Calculated formula: C26 H36 Cl F6 N2 P Ru S
• Title of publication: Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-C,S)-thioether-functionalised NHC ligands.
• Authors of publication: Chen, Weiguang; Egly, Julien; Poblador-Bahamonde, Amalia I; Maisse-Francois, Aline; Bellemin-Laponnaz, Stéphane; Achard, Thierry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3243 - 3252
• a: 18.3465 ± 0.001 Å
• b: 9.5046 ± 0.0003 Å
• c: 18.6302 ± 0.0012 Å
• α: 90°
• β: 115.491 ± 0.002°
• γ: 90°
• Cell volume: 2932.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No