Information card for entry 1567532

Structure parameters

• Chemical name: Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate
• Formula: C34 H24 F10 Ir N4 O2 P
• Calculated formula: C34 H24 F10 Ir N4 O2 P
• Title of publication: Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate
• Authors of publication: Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 8
• Pages of publication: x220830
• a: 41.574 ± 0.003 Å
• b: 8.6065 ± 0.0007 Å
• c: 18.2384 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6525.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes