Information card for entry 1516536

Structure parameters

• Common name: avm02
• Formula: C236 H212 N20 O66 S4 Zn16
• Calculated formula: C236 H172 N20 O66 S4 Zn16
• Title of publication: Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF
• Authors of publication: Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2297
• a: 20.78 ± 0.002 Å
• b: 34.908 ± 0.004 Å
• c: 14.4254 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10464 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.3217
• Weighted residual factors for all reflections included in the refinement: 0.3569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No