Information card for entry 1572762

Structure parameters

• Formula: C27 H32.82 N6 O9 Sc
• Calculated formula: C27 H32.818 N6 O9 Sc
• Title of publication: Charting the coordinative landscape of the ¹⁸F-Sc/⁴⁴Sc/¹⁷⁷Lu triad with the tri-aza-cyclononane (tacn) scaffold.
• Authors of publication: Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 17927 - 17936
• a: 7.9195 ± 0.0006 Å
• b: 11.7007 ± 0.0011 Å
• c: 14.6519 ± 0.0015 Å
• α: 90°
• β: 98.998 ± 0.008°
• γ: 90°
• Cell volume: 1341 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No