Information card for entry 4108100

Structure parameters

• Formula: C9 H5 O7 Y
• Calculated formula: C9 H3 O7 Y
• Title of publication: Hydrogen Adsorption in a Highly Stable Porous Rare-Earth Metal-Organic Framework: Sorption Properties and Neutron Diffraction Studies
• Authors of publication: Junhua Luo; Hongwu Xu; Yun Liu; Yusheng Zhao; Luke L. Daemen; Craig Brown; Tatiana V. Timofeeva; Shengqian Ma; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9626 - 9627
• a: 10.223 ± 0.003 Å
• b: 10.223 ± 0.003 Å
• c: 14.493 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1514.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No