Information card for entry 7044831

Structure parameters

• Formula: C33 H35 Cl4 O3 P Ru
• Calculated formula: C33 H35 Cl4 O3 P Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccc(OC(=O)C(Cl)Cl)cc6)(Cl)(Cl)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C(C)C)C.O=C(C)C
• Title of publication: Tuning the cytotoxicity of ruthenium(ii) para-cymene complexes by mono-substitution at a triphenylphosphine/phenoxydiphenylphosphine ligand
• Authors of publication: Biancalana, Lorenzo; Zacchini, Stefano; Ferri, Nicola; Lupo, Maria Giovanna; Pampaloni, Guido; Marchetti, Fabio
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 18.174 ± 0.003 Å
• b: 13.861 ± 0.002 Å
• c: 25.67 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6466.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.1402
• Weighted residual factors for significantly intense reflections: 0.2731
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No