Information card for entry 1577447

Structure parameters

• Chemical name: NU-2501
• Formula: C9 H9 Lu O9
• Calculated formula: C9 H9 Lu O9
• 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: 12.4932 ± 0.0002 Å
• b: 6.46512 ± 0.0001 Å
• c: 13.0763 ± 0.0002 Å
• α: 90°
• β: 97.5605 ± 0.0015°
• γ: 90°
• Cell volume: 1046.99 ± 0.03 ų
• Cell temperature: 110 ± 14 K
• Ambient diffraction temperature: 110 ± 14 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1077
• 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