Information card for entry 7711521

Structure parameters

• Formula: C37 H35 Cl11 N7 O P Ru
• Calculated formula: C37 H35 Cl11 N7 O P Ru
• SMILES: [Ru]12(Cl)([n]3n(C(n4[n]1ccc4)n1[n]2ccc1)ccc3)([n]1ccc(cc1)CO)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Anticancer Ruthenium(II) Tris(pyrazolyl)methane Complexes with Bioactive Co-ligands
• Authors of publication: Gobbo, Alberto; Pereira, Sarah; Biancalana, Lorenzo; Zacchini, Stefano; Saraiva, M. Lúcia M.F.S.; Dyson, Paul Joseph; Marchetti, Fabio
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.9551 ± 0.0005 Å
• b: 15.8845 ± 0.0007 Å
• c: 21.0285 ± 0.0008 Å
• α: 98.91 ± 0.001°
• β: 92.585 ± 0.001°
• γ: 91.965 ± 0.001°
• Cell volume: 4596.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No