Information card for entry 7111894

Structure parameters

• Formula: C27 H9 O22 Zn5
• Calculated formula: C27 H9 O22 Zn5
• Title of publication: Unusual pore structure and sorption behaviour in a hexanodal zinc-organic framework material
• Authors of publication: Jinjie Qian; Feilong Jiang; Linjie Zhang; Kongzhao Su; Jie Pan; Qipeng Li; Daqiang Yuan; Maochun Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1678
• a: 19.7757 ± 0.0002 Å
• b: 44.7064 ± 0.0005 Å
• c: 28.6303 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25312.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No