Information card for entry 7135565

Structure parameters

• Formula: C65 H50 Cl4 Ir2 N8 O6
• Calculated formula: C65 H50 Cl4 Ir2 N8 O6
• Title of publication: Unveiling a host-guest assembly composed of an emissive Ir(III) complex salt and a concave aromatic host at a local minimum state
• Authors of publication: Ogura, Shota; Sugiyama, Kanami; Higashi, Masahiro; Horiuchi, Shinnosuke
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 21.1828 ± 0.0004 Å
• b: 21.1828 ± 0.0004 Å
• c: 13.4693 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6043.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No