Information card for entry 4134599

Structure parameters

• Common name: Y6HOTP2 metal-organic framework
• Formula: C18 H6 N2.69 O18.69 Y3
• Calculated formula: C18 H6 N2.687 O18.687 Y3
• Title of publication: Electrical conductivity in a porous, cubic rare-earth catecholate.
• Authors of publication: Skorupskii, Grigorii; Dinca, Mircea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 34.785 ± 0.003 Å
• b: 34.785 ± 0.003 Å
• c: 34.785 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 42090 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No