Information card for entry 7241794

Structure parameters

• Formula: C58 H38 N O16 Sc3
• Calculated formula: C58 H38 N 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: 31.808 ± 0.0016 Å
• b: 31.808 ± 0.0016 Å
• c: 16.9754 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14873.8 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No