Information card for entry 7223470

Structure parameters

• Common name: Sc2BDC3
• Chemical name: catena-(tris(m4-Terephthalato)-di-scandium)
• Formula: C12 H6 O6 Sc
• Calculated formula: C12 H6 O6 Sc
• Title of publication: Perfluorocarbon liquid under pressure: a medium for gas delivery
• Authors of publication: McKellar, Scott C.; Sotelo, Jorge; Mowat, John P. S.; Wright, Paul A.; Moggach, Stephen A.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1273
• a: 8.785 ± 0.006 Å
• b: 20.81 ± 0.014 Å
• c: 34.48 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6303 ± 7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No