Information card for entry 7241795

Structure parameters

• Formula: C42.67 H23.67 N1.33 O16 Sc3
• Calculated formula: C42.6667 H22.6667 N1.3333 O16 Sc3
• Title of publication: Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142
• Authors of publication: Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 804 - 812
• a: 28.7845 ± 0.0015 Å
• b: 28.7845 ± 0.0015 Å
• c: 48.405 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 34733 ± 3 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.224
• Residual factor for significantly intense reflections: 0.1208
• Weighted residual factors for significantly intense reflections: 0.3273
• Weighted residual factors for all reflections included in the refinement: 0.4338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No