Information card for entry 7133767

Structure parameters

• Formula: C44 H30 Cl2 Ir N3 O3 S2
• Calculated formula: C44 H30 Cl2 Ir N3 O3 S2
• Title of publication: Dual-emitting cyclometalated Ir(III) complexes with salicylaldimine-bound fluorophores for ratiometric oxygen sensing.
• Authors of publication: Tidma, Sirawit; Sutton, Gregory D.; Dang, Linh T. M.; Jiang, Chenggang; Teets, Thomas S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 11.1502 ± 0.0017 Å
• b: 24.938 ± 0.004 Å
• c: 14.546 ± 0.002 Å
• α: 90°
• β: 100.657 ± 0.002°
• γ: 90°
• Cell volume: 3975 ± 1 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No