Information card for entry 7716855

Structure parameters

• Formula: C34 H42 F6 In N6 O9 P
• Calculated formula: C34 H42 F6 In N6 O9 P
• Title of publication: Chelation of [¹¹¹In]In³⁺ with the dual-size-selective macrocycles py-macrodipa and py₂-macrodipa.
• Authors of publication: Lee, Kevin K.; Chakraborty, Mou; Hu, Aohan; Kanagasundaram, Thines; Thorek, Daniel L. J.; Wilson, Justin J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 23.5693 ± 0.0002 Å
• b: 10.5159 ± 0.0001 Å
• c: 16.2352 ± 0.0001 Å
• α: 90°
• β: 101.975 ± 0.001°
• γ: 90°
• Cell volume: 3936.37 ± 0.06 ų
• Cell temperature: 100.3 ± 0.8 K
• Ambient diffraction temperature: 100.3 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No