Information card for entry 1577451

Structure parameters

• Chemical name: NU-2504
• Formula: C12 H15 Dy O12
• Calculated formula: C12 H15 Dy O12
• Title of publication: Mapping the crystallization landscape of rare earth MOFs: a high-throughput investigation of structure, kinetics, and selectivity
• Authors of publication: Gaidimas, Madeleine A.; Kim, Gyu-Hee; Ye, Zi-Ming; Magdalenski, Julian S.; Barker, Nathaniel M.; Mandal, Abhijoy; Darvish, Kourosh; Kirlikovali, Kent O.; Bernales, Varinia; Aspuru-Guzik, Alán; Malliakas, Christos D.; Farha, Omar K.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 5.90086 ± 0.00006 Å
• b: 9.42216 ± 0.00009 Å
• c: 14.57445 ± 0.00013 Å
• α: 96.2049 ± 0.0008°
• β: 94.0226 ± 0.0008°
• γ: 103.275 ± 0.0008°
• Cell volume: 780.263 ± 0.013 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No