Information card for entry 7235797

Structure parameters

• Formula: C15 H12 N O4 Zn
• Calculated formula: C15 H12 N O4 Zn
• 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: 16.052 ± 0.005 Å
• b: 21.172 ± 0.005 Å
• c: 9.625 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3271 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No