Information card for entry 4339033

Structure parameters

• Formula: C28 H54 N12 O31 Zn6
• Calculated formula: C28 H40 N12 O31 Zn6
• Title of publication: 3D porous metal-organic framework exhibiting selective adsorption of water over organic solvents.
• Authors of publication: Gu, Jin-Zhong; Lu, Wen-Guan; Jiang, Long; Zhou, Hong-Cai; Lu, Tong-Bu
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5835 - 5837
• a: 11.69 ± 0.003 Å
• b: 17.998 ± 0.004 Å
• c: 14.173 ± 0.003 Å
• α: 90°
• β: 111.013 ± 0.005°
• γ: 90°
• Cell volume: 2783.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No