Information card for entry 4105649

Structure parameters

• Formula: C38 H40 N2 O16 Zn2
• Calculated formula: C28 H16 N2 O13 Zn2
• Title of publication: Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains
• Authors of publication: Sebastian Henke; Roland A. Fischer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2064 - 2067
• a: 53.188 ± 0.003 Å
• b: 53.188 ± 0.003 Å
• c: 17.813 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43641 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2642
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No