Information card for entry 7708603

Structure parameters

• Formula: C165.6 H238.6 Cl17.8 Ir2 N12 O25.7
• Calculated formula: C165.6 H238.6 Cl17.8 Ir2 N12 O25.7
• 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: 13.0463 ± 0.0007 Å
• b: 20.2747 ± 0.0012 Å
• c: 20.6481 ± 0.0011 Å
• α: 103.234 ± 0.002°
• β: 106.527 ± 0.002°
• γ: 96.082 ± 0.002°
• Cell volume: 5010.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0581
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No