Information card for entry 4128772

Structure parameters

• Formula: C8 H15 Cu0.5 N5 O5.5
• Calculated formula: C8 H14.9997 Cu0.5 N5 O5.49985
• Title of publication: Homochiral Metal-Organic Frameworks for Enantioselective Separations in Liquid Chromatography.
• Authors of publication: Corella-Ochoa, M Nieves; Tapia, Jesús B; Rubin, Heather N.; Lillo, Vanesa; González-Cobos, Jesús; Núñez-Rico, José Luis; Balestra, Salvador R. G.; Almora-Barrios, Neyvis; Lledós, Marina; Güell-Bara, Arnau; Cabezas-Giménez, Juanjo; Escudero-Adán, Eduardo C; Vidal-Ferran, Anton; Calero, Sofía; Reynolds, Melissa; Martí-Gastaldo, Carlos; Galán-Mascarós, José Ramón
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14306 - 14316
• a: 20.12 ± 0.004 Å
• b: 20.12 ± 0.004 Å
• c: 20.12 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8145 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 212
• Hermann-Mauguin space group symbol: P 43 3 2
• Hall space group symbol: P 4acd 2ab 3
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No