Information card for entry 7712739

Structure parameters

• Formula: C45 H41 Cl10 F4 Ir N6 O2
• Calculated formula: C44 H40 Cl7 F4 Ir N6 O2
• 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: 17.941 ± 0.003 Å
• b: 28.409 ± 0.005 Å
• c: 11.205 ± 0.002 Å
• α: 90°
• β: 110.153 ± 0.006°
• γ: 90°
• Cell volume: 5361.4 ± 1.6 ų
• Cell temperature: 135 ± 1 K
• Ambient diffraction temperature: 135 ± 1 K
• Number of distinct elements: 7
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No