Information card for entry 7714426

Structure parameters

• Formula: C12 H25 Cl F3 N3 O6 Ru S4
• Calculated formula: C12 H25 Cl F3 N3 O6 Ru S4
• SMILES: [Ru]1(Cl)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)[n]2n(C(=[NH]1)C)ccc2.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 1,2-Azolylamidino ruthenium(II) complexes with DMSO ligands: electro- and photocatalysts for CO₂ reduction.
• Authors of publication: Jennings, Murphy; Cuéllar, Elena; Rojo, Ariadna; Ferrero, Sergio; García-Herbosa, Gabriel; Nganga, John; Angeles-Boza, Alfredo M; Martín-Alvarez, Jose M; Miguel, Daniel; Villafañe, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 8.8611 ± 0.0003 Å
• b: 16.6923 ± 0.0007 Å
• c: 16.0264 ± 0.0006 Å
• α: 90°
• β: 92.275 ± 0.003°
• γ: 90°
• Cell volume: 2368.63 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No