Information card for entry 7716856

Structure parameters

• Formula: C32 H40 F6 In N6 O8 P
• Calculated formula: C32 H40 F6 In N6 O8 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: 9.2106 ± 0.0002 Å
• b: 14.4787 ± 0.0003 Å
• c: 14.7558 ± 0.0002 Å
• α: 65.421 ± 0.002°
• β: 85.774 ± 0.001°
• γ: 74.083 ± 0.002°
• Cell volume: 1719.05 ± 0.07 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No