Information card for entry 4341683

Structure parameters

• Formula: C40 H48 Cl3 N3 O Ru
• Calculated formula: C40 H48 Cl3 N3 O Ru
• SMILES: [Ru]123456(Cl)(Oc7n(nc(C)c7C(=[N]1c1c7ccccc7ccc1)CCCCCC)c1ccccc1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.ClCCl
• Title of publication: Synthesis, Structure, and Antiproliferative Activity of Ruthenium(II) Arene Complexes with N,O-Chelating Pyrazolone-Based β-Ketoamine Ligands.
• Authors of publication: Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Petrini, Agnese; Scopelliti, Rosario; Clavel, Catherine M.; Dyson, Paul J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141120142422003
• a: 33.517 ± 0.005 Å
• b: 33.517 ± 0.005 Å
• c: 19.157 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18638 ± 6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.269
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No