Information card for entry 7711876

Structure parameters

• Formula: C77 H90 F12 Ir2 O2 P4
• Calculated formula: C77 H90 F12 Ir2 O2 P4
• Title of publication: Optical and electrochemical properties of spirobifluorene iridanaphthalene complexes.
• Authors of publication: Talavera, Maria; Pereira-Cameselle, Raquel; Peña-Gallego, Ángeles; Vázquez-Carballo, Irene; Prieto, Inmaculada; Alonso-Gómez, J Lorenzo; Bolaño, Sandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 487 - 493
• a: 10.134 ± 0.0012 Å
• b: 18.628 ± 0.002 Å
• c: 20.622 ± 0.002 Å
• α: 75.284 ± 0.004°
• β: 85.701 ± 0.004°
• γ: 83.585 ± 0.004°
• Cell volume: 3737.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No