Information card for entry 1571385

Structure parameters

• Formula: C33 H27 F4 Ir N4 O4.25
• Calculated formula: C33 H27 F4 Ir N4 O4.25
• Title of publication: Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors
• Authors of publication: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.
• Journal of publication: Crystals
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 281
• a: 12.0056 ± 0.0009 Å
• b: 13.9227 ± 0.001 Å
• c: 21.5251 ± 0.0015 Å
• α: 84.548 ± 0.003°
• β: 81.768 ± 0.003°
• γ: 87.722 ± 0.003°
• Cell volume: 3543.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No