Information card for entry 7710257

Structure parameters

• Common name: PK09
• Chemical name: dichloro(η6-[1-methyl-4-(1-methylethyl)benzene])(hydroxymethyldiphenylphosphine)ruthenium(II)
• Formula: C23 H27 Cl2 O P Ru
• Calculated formula: C23 H27 Cl2 O P Ru
• SMILES: CC(C)[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456(Cl)(Cl)[P](CO)(c1ccccc1)c1ccccc1)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: 7.6065 ± 0.0001 Å
• b: 13.8332 ± 0.0001 Å
• c: 10.7154 ± 0.0001 Å
• α: 90°
• β: 105.49 ± 0.001°
• γ: 90°
• Cell volume: 1086.54 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No