Information card for entry 1550888

Structure parameters

• Formula: C51 H43 B Cl2 F12 Ir N6 P
• Calculated formula: C51.001 H43.002 B Cl2.002 F12 Ir N6 P
• Title of publication: Cyclometalated Iridium-BODIPY Ratiometric O2 Sensors
• Authors of publication: Choung, Ku Sun; Marroquin, Karen; Teets, Thomas S.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 45.386 ± 0.006 Å
• b: 11.4399 ± 0.0014 Å
• c: 20.573 ± 0.003 Å
• α: 90°
• β: 102.781 ± 0.001°
• γ: 90°
• Cell volume: 10417 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No