Information card for entry 4331224

Structure parameters

• Formula: C67 H47 B F26 N Tl
• Calculated formula: C67 H47 B F26 N Tl
• Title of publication: Interaction of In(I) and Tl(I) Cations with 2,6-Diaryl Pyridine Ligands: Cation Encapsulation within a Very Weakly Interacting N/Arene Host Environment
• Authors of publication: Hassanatu B. Mansaray; Christina Y. Tang; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13017 - 13022
• a: 12.8413 ± 0.0001 Å
• b: 13.8219 ± 0.0001 Å
• c: 35.7025 ± 0.0004 Å
• α: 90°
• β: 91.5709 ± 0.0003°
• γ: 90°
• Cell volume: 6334.5 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections: 0.2159
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No