Information card for entry 4126255

Structure parameters

• Formula: C48 H12 Gd8 N6 O49
• Calculated formula: C48 H12 Gd8 N6 O48.9992
• Title of publication: Rare Earth pcu MOF Platform Based on RE4(μ3-OH)4(COO)62+ Clusters: Rational Design, Directed Synthesis, and Deliberate Tuning of Excitation Wavelengths.
• Authors of publication: Luo, Tian-Yi; Liu, Chong; Eliseeva, Svetlana V.; Muldoon, Patrick Flynn; Petoud, Stephane; Rosi, Nathaniel L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 27.86 ± 0.003 Å
• b: 27.86 ± 0.003 Å
• c: 27.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21624 ± 4 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240.01 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.2306
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No