Information card for entry 7710368

Structure parameters

• Formula: C23 H28 Cl5 F2 N2 O7 Ru2 S
• Calculated formula: C23 H28 Cl5 F2 N2 O7 Ru2 S
• SMILES: [Ru]1234([Ru](Cl)([O]=C(O2)C)(OC(=[O]1)C)([O]=C(O3)C)N(c1ccc(F)cc1)C=[N]4c1ccc(F)cc1)[O]=S(C)C.ClCCl.ClCCl
• Title of publication: New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts
• Authors of publication: Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.4157 ± 0.0013 Å
• b: 11.671 ± 0.0012 Å
• c: 13.1768 ± 0.0012 Å
• α: 73.119 ± 0.004°
• β: 86.441 ± 0.004°
• γ: 82.059 ± 0.004°
• Cell volume: 1663.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 199.99 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: 0.0953
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No