Information card for entry 7045091

Structure parameters

• Formula: C29 H31 Cl N2 O2 Ru
• Calculated formula: C29 H31 Cl N2 O2 Ru
• SMILES: c1ccccc1C1c2c(n(c3ccccc3)nc2C)O[Ru]23456([c]7([c]2([c]3([c]4([c]5([c]67C)C)C)C)C)C)(Cl)[O]=1
• Title of publication: Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.
• Authors of publication: Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 868 - 878
• a: 8.1807 ± 0.0007 Å
• b: 16.3923 ± 0.0018 Å
• c: 19.3118 ± 0.0018 Å
• α: 90°
• β: 96.34 ± 0.007°
• γ: 90°
• Cell volume: 2573.9 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No