Information card for entry 7135564

Structure parameters

• Formula: C80 H92 Cl Ir N4 O13
• Calculated formula: C80 H92 Cl Ir N4 O13
• 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: 17.504 ± 0.005 Å
• b: 16.409 ± 0.004 Å
• c: 29.43 ± 0.007 Å
• α: 90°
• β: 106.308 ± 0.004°
• γ: 90°
• Cell volume: 8113 ± 4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.1246
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No