Information card for entry 1567315

Structure parameters

• Formula: C50 H30 F10 Ir N4 O4 P
• Calculated formula: C50 H30 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: 11.885 ± 0.002 Å
• b: 13.195 ± 0.003 Å
• c: 16.517 ± 0.003 Å
• α: 105.127 ± 0.002°
• β: 97.59 ± 0.002°
• γ: 101.773 ± 0.002°
• Cell volume: 2400.4 ± 0.8 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: 0.0339
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No