Information card for entry 7712740

Structure parameters

• Formula: C47 H44 F6 Ir N6 O9 P
• Calculated formula: C47 H44 F6 Ir N6 O9 P
• Title of publication: A new family of luminescent Iridium Complexes: Synthesis, Optical and Cytotoxic Studies
• Authors of publication: Lalinde Peña, Elena; Millán-Fernández, Gonzalo; Nieddu, Mattia; López, Icíar; Larráyoz, Ignacio; Pichel, José García; Izquierdo, Cintia; Berenguer, Jesús R.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.1184 ± 0.0005 Å
• b: 30.6557 ± 0.0017 Å
• c: 13.7608 ± 0.0008 Å
• α: 90°
• β: 98.189 ± 0.002°
• γ: 90°
• Cell volume: 4642.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No