Information card for entry 7708599

Structure parameters

• Formula: C148 H174 F12 Ir2 N16 O8 P2
• Calculated formula: C148 H174 F12 Ir2 N16 O8 P2
• Title of publication: Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)
• Authors of publication: Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 19.3154 ± 0.0012 Å
• b: 22.6544 ± 0.0013 Å
• c: 26.8007 ± 0.0015 Å
• α: 105.969 ± 0.001°
• β: 90.215 ± 0.002°
• γ: 114.547 ± 0.002°
• Cell volume: 10162 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No