Information card for entry 7235796

Structure parameters

• Formula: C320 H234 N8 O125 Zn32
• Calculated formula: C288 H144 O104 Zn32
• Title of publication: Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks
• Authors of publication: Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 44
• Pages of publication: 18823
• a: 30.5557 ± 0.0017 Å
• b: 30.5557 ± 0.0017 Å
• c: 30.5557 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28528 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.2245
• Residual factor for significantly intense reflections: 0.1443
• Weighted residual factors for significantly intense reflections: 0.339
• Weighted residual factors for all reflections included in the refinement: 0.3752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No