Information card for entry 4126564

Structure parameters

• Formula: C10 H20 O18 P4 Pr
• Calculated formula: C10 H23 O16 P4 Pr
• Title of publication: Tuning Intrinsic and Extrinsic Proton Conduction in Metal-Organic Frameworks by the Lanthanide Contraction.
• Authors of publication: Wong, Norman E.; Ramaswamy, Padmini; Lee, Andrew; Gelfand, Benjamin S.; Bladek, Kamila; Taylor, Jared M.; Spasyuk, Denis; Shimizu, George K. H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 5.964 ± 0.0012 Å
• b: 18.27 ± 0.004 Å
• c: 18.965 ± 0.004 Å
• α: 90°
• β: 95.62 ± 0.03°
• γ: 90°
• Cell volume: 2056.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No