Information card for entry 7718684

Structure parameters

• Formula: C31 H17 F3 Ir N9
• Calculated formula: C31 H17 F3 Ir N9
• Title of publication: Fine color-tuning of Ir(III) tetrazolato complexes: synthesis, photophysical properties and OLED device fabrication.
• Authors of publication: Monti, Nicola; Previati, Eleonora; Vigarani, Giulia; Cocchi, Massimo; Tinti, Francesca; Raiteri, Paolo; Zacchini, Stefano; Giorgini, Loris; Massi, Massimiliano; Stagni, Stefano; Fiorini, Valentina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10304 - 10317
• a: 12.1158 ± 0.0013 Å
• b: 14.7808 ± 0.0016 Å
• c: 20.394 ± 0.002 Å
• α: 90°
• β: 105.66 ± 0.003°
• γ: 90°
• Cell volume: 3516.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1706
• Residual factor for significantly intense reflections: 0.13
• Weighted residual factors for significantly intense reflections: 0.2689
• Weighted residual factors for all reflections included in the refinement: 0.2943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No