Information card for entry 7045087

Structure parameters

• Formula: C27 H27 Cl N2 O2 Ru
• Calculated formula: C27 H27 Cl N2 O2 Ru
• SMILES: [Ru]123456([O]=C(c7c(n(c8ccccc8)nc7C)O1)c1ccccc1)(Cl)[cH]1[c]3(C(C)C)[cH]4[cH]2[c]5([cH]61)C
• 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: 16.4494 ± 0.0007 Å
• b: 8.1443 ± 0.0002 Å
• c: 17.6939 ± 0.0008 Å
• α: 90°
• β: 92.101 ± 0.003°
• γ: 90°
• Cell volume: 2368.84 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No