Information card for entry 1567314

Structure parameters

• Formula: C55 H39 F10 Ir N4 O4 P
• Calculated formula: C55 H39 F10 Ir N4 O4 P
• Title of publication: Cyclometalated iridium-coumarin ratiometric oxygen sensors: improved signal resolution and tunable dynamic ranges
• Authors of publication: Wu, Yanyu; Sutton, Gregory D.; Halamicek, Michael D. S.; Xing, Xinxin; Bao, Jiming; Teets, Thomas S.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 8804 - 8812
• a: 12.0293 ± 0.0003 Å
• b: 13.6426 ± 0.0003 Å
• c: 15.8219 ± 0.0003 Å
• α: 79.16 ± 0.001°
• β: 81.948 ± 0.001°
• γ: 71.953 ± 0.001°
• Cell volume: 2415.43 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No