Information card for entry 7710362

Structure parameters

• Formula: C30 H30 Cl F4 N4 O7 Ru2
• Calculated formula: C30 H24 Cl F4 N4 O7 Ru2
• SMILES: C1(C)=[O][Ru]234(Cl)[N](=CN(c5ccc(cc5)F)[Ru]4([N](=CN2c2ccc(cc2)F)c2ccc(cc2)F)(O1)([O]=C(C)O3)[OH2])c1ccc(cc1)F.O.O
• 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: 13.612 ± 0.002 Å
• b: 14.755 ± 0.002 Å
• c: 17.022 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3418.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2056
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No