Information card for entry 7708605

Structure parameters

• Formula: C194 H214 Cl6 Ir2 N16 O9
• Calculated formula: C194 H214 Cl6 Ir2 N16 O9
• 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: 27.5551 ± 0.0009 Å
• b: 21.0953 ± 0.0007 Å
• c: 33.6113 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19537.7 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No