Information card for entry 7056714

Structure parameters

• Formula: C29 H28 Cl O2 P Ru
• Calculated formula: C29 H28 Cl O2 P Ru
• SMILES: [Ru]123456(Cl)([P](c7c(C(=O)O1)cccc7)(c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Ruthenium Arene Complexes with Triphenylphosphane Ligands: Cytotoxic Activity Towards Pancreatic Cancer Cells, Interaction with Model Proteins, and Critical Effect of Ethacrynic Acid Substitution
• Authors of publication: Marchetti, Fabio; Biancalana, Lorenzo; Pratesi, Alessandro; Chiellini, Federica; Zacchini, Stefano; Funaioli, Tiziana; Gabbiani, Chiara
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 15.373 ± 0.002 Å
• b: 13.9 ± 0.002 Å
• c: 23.827 ± 0.004 Å
• α: 90°
• β: 94.239 ± 0.004°
• γ: 90°
• Cell volume: 5077.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1022
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No