Information card for entry 4341680

Structure parameters

• Formula: C43 H38 Cl N3 O Ru
• Calculated formula: C43 H38 Cl N3 O Ru
• SMILES: [Ru]123456(Cl)(Oc7n(nc(C)c7C(=[N]1c1c7ccccc7ccc1)c1ccc(cc1)c1ccccc1)c1ccccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
• 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: 25.616 ± 0.004 Å
• b: 22.8086 ± 0.0014 Å
• c: 12.793 ± 0.003 Å
• α: 90°
• β: 111.701 ± 0.01°
• γ: 90°
• Cell volume: 6945 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No