Information card for entry 4134598

Structure parameters

• Common name: La6HOTP2 metal-organic framework
• Formula: C36 H12 La6 N3.9 O41.64
• Calculated formula: C36 H12 La6 N3.898 O41.64
• 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: 35.2393 ± 0.0017 Å
• b: 35.2393 ± 0.0017 Å
• c: 35.2393 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 43760 ± 4 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: 0.0686
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No