Information card for entry 4122869

Structure parameters

• Formula: C56 H64 F18 Ir3 K3 N8 O22 S6
• Calculated formula: C56 H61 F18 Ir3 K3 N8 O22 S6
• Title of publication: Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.
• Authors of publication: Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15521 - 15524
• a: 16.6973 ± 0.0012 Å
• b: 17.2047 ± 0.0012 Å
• c: 17.8926 ± 0.0013 Å
• α: 65.351 ± 0.001°
• β: 71.501 ± 0.001°
• γ: 62.58 ± 0.001°
• Cell volume: 4096.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No