Information card for entry 1564048

Structure parameters

• Formula: C34 H50 Cl4 N4 Ru2
• Calculated formula: C34 H50 Cl4 N4 Ru2
• SMILES: [c]12([c]3([c]4([c]5([c]6([c]1(C)[Ru]23456([n]1c(c(c2c(C)[n]([nH]c2C)[Ru]23456([c]7([c]2([c]3([c]4([c]5([c]67C)C)C)C)C)C)(Cl)Cl)c(C)[nH]1)C)(Cl)Cl)C)C)C)C)C
• Title of publication: Binuclear 3,3′,5,5′-tetramethyl-1H,H-4,4′-bipyrazole Ruthenium(II) complexes: Synthesis, characterization and biological studies
• Authors of publication: Pettinari, Claudio; Pettinari, Riccardo; Xhaferai, Nertil; Giambastiani, Giuliano; Rossin, Andrea; Bonfili, Laura; Maria Eleuteri, Anna; Cuccioloni, Massimiliano
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119902
• a: 16.868 ± 0.014 Å
• b: 8.211 ± 0.007 Å
• c: 26.122 ± 0.002 Å
• α: 90°
• β: 103.88 ± 0.009°
• γ: 90°
• Cell volume: 3512 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No