Information card for entry 7710258

Structure parameters

• Chemical name: dichloro(η6-[1-methyl-4-(1-methylethyl)benzene])(hydroxymethyldi[4-methoxybenzene]phosphine)ruthenium(II)
• Formula: C25 H31 Cl2 O3 P Ru
• Calculated formula: C25 H31 Cl2 O3 P Ru
• SMILES: CC(C)[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([P](CO)(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl)C
• Title of publication: Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes.
• Authors of publication: Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.66 ± 0.0001 Å
• b: 11.1867 ± 0.0001 Å
• c: 23.5077 ± 0.0003 Å
• α: 90°
• β: 92.598 ± 0.001°
• γ: 90°
• Cell volume: 2537.71 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No