Information card for entry 4348986

Structure parameters

• Formula: C40 H61 Cl N2 O2 Ru
• Calculated formula: C40 H61 Cl N2 O2 Ru
• SMILES: [Ru]123456(Cl)(Oc7n(nc(c7C(=[O]1)CCCCCCCCCCCCCCCCC)C)c1ccccc1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C
• Title of publication: Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.
• Authors of publication: Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11770 - 11781
• a: 8.4672 ± 0.0015 Å
• b: 18.162 ± 0.003 Å
• c: 24.837 ± 0.003 Å
• α: 89.319 ± 0.011°
• β: 80.413 ± 0.011°
• γ: 81.5 ± 0.011°
• Cell volume: 3724.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No