Information card for entry 1516570

Structure parameters

• Common name: NO2-DMOF_toluene
• Formula: C22 H18 N4 O12 Zn2
• Calculated formula: C22 H12 N4 O12 Zn2
• Title of publication: Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study
• Authors of publication: Henke, Sebastian; Li, Wei; Cheetham, Anthony K.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2392
• a: 10.90313 ± 0.00018 Å
• b: 10.90313 ± 0.00018 Å
• c: 9.649 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.06 ± 0.04 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No