Information card for entry 1571393

Structure parameters

• Formula: C30 H22 F6 Ir N6 P
• Calculated formula: C30 H22 F6 Ir N6 P
• 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: 10.8324 ± 0.0004 Å
• b: 16.0987 ± 0.0006 Å
• c: 31.5748 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5506.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No