Information card for entry 1564001

Structure parameters

• Chemical name: Chlorido[1,2-dimethyl-3-oxo-κO-pyridine-4(1H)-selonato- κSe](η5-1,2,3,4,5-pentamethylcyclopentadienyl)iridium(III)
• Formula: C34 H46 Cl2 Ir2 N2 O2 Se2
• Calculated formula: C34 H46 Cl2 Ir2 N2 O2 Se2
• Title of publication: First insights into the novel class of organometallic compounds bearing a bidentate selenopyridone coordination motif: Synthesis, characterization, stability and biological investigations
• Authors of publication: Harringer, Sophia; Matzinger, Manuel; Gajic, Natalie; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119919
• a: 14.4035 ± 0.0002 Å
• b: 17.2052 ± 0.0003 Å
• c: 16.2493 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4026.82 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No