Information card for entry 7710259

Structure parameters

• Chemical name: dichloro(η5-[pentamethylcyclopentadienyl]))(hydroxymethyldi[4-methoxybenzene]phosphine)iridium(III)
• Formula: C25 H32 Cl2 Ir O3 P
• Calculated formula: C25 H32 Cl2 Ir O3 P
• SMILES: [c]12(C)[c]3([c]4(C)[c]5([c]1(C)[Ir]2345(Cl)(Cl)[P](CO)(c1ccc(cc1)OC)c1ccc(cc1)OC)C)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: 8.5562 ± 0.0002 Å
• b: 20.6545 ± 0.0006 Å
• c: 13.9418 ± 0.0002 Å
• α: 90°
• β: 92.251 ± 0.002°
• γ: 90°
• Cell volume: 2461.95 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No