Information card for entry 1573839

Structure parameters

• Chemical name: NU-2500
• Formula: C27 H9 O18 Th2
• Calculated formula: C27 H9 O18 Th2
• Title of publication: Thorium metal-organic framework crystallization for efficient recovery from rare earth element mixtures.
• Authors of publication: Gaidimas, Madeleine A.; Smoljan, Courtney S.; Ye, Zi-Ming; Stern, Charlotte L.; Malliakas, Christos D.; Kirlikovali, Kent O.; Farha, Omar K.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 3895 - 3903
• a: 13.6682 ± 0.00008 Å
• b: 13.6682 ± 0.00008 Å
• c: 13.6682 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2553.49 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No