Information card for entry 7708604

Structure parameters

• Formula: C155 H198 Cl19 Ir2 N12 O8
• Calculated formula: C155 H198 Cl19 Ir2 N12 O8
• 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: 19.636 ± 0.0013 Å
• b: 13.1399 ± 0.0006 Å
• c: 34.199 ± 0.002 Å
• α: 90°
• β: 103.304 ± 0.002°
• γ: 90°
• Cell volume: 8587.1 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No