Information card for entry 7710795

Structure parameters

• Formula: C128 H133 F12 Ir2 N11 O P8
• Calculated formula: C128 H133 F12 Ir2 N11 O P8
• Title of publication: Cyclometalated iridium complexes based on monodentate aminophosphanes
• Authors of publication: Palmese, Marco; Pérez-Torrente, Jesús J.; Passarelli, Vincenzo
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.8378 ± 0.001 Å
• b: 23.4102 ± 0.0008 Å
• c: 20.6295 ± 0.0008 Å
• α: 90°
• β: 91.556 ± 0.002°
• γ: 90°
• Cell volume: 11990.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No