Information card for entry 1571389

Structure parameters

• Formula: C27 H15 F4 Ir N4 O2
• Calculated formula: C27 H15 F4 Ir N4 O2
• 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: 8.815 ± 0.0006 Å
• b: 12.0339 ± 0.001 Å
• c: 22.3146 ± 0.0017 Å
• α: 87.528 ± 0.003°
• β: 79.542 ± 0.003°
• γ: 89.854 ± 0.003°
• Cell volume: 2325.6 ± 0.3 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: 0.0283
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No