Information card for entry 7112924

Structure parameters

• Formula: C49.5 H36 N0 O19 Zn4
• Calculated formula: C49.5 H36 O19 Zn4
• Title of publication: Construction of a trigonal bipyramidal cage-based metal-organic framework with hydrophilic pore surface via flexible tetrapodal ligands.
• Authors of publication: Liu, Tian-Fu; Lü, Jian; Lin, Xi; Cao, Rong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 8439 - 8441
• a: 26.918 ± 0.004 Å
• b: 26.918 ± 0.004 Å
• c: 86.67 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 54386 ± 17 ų
• Cell temperature: 78 ± 2 K
• Ambient diffraction temperature: 78 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2446
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No