Information card for entry 1516571

Structure parameters

• Common name: DMOF
• Formula: C34 H48 N6 O12 Zn2
• Calculated formula: C34 H44 N6 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: 15.0609 ± 0.0008 Å
• b: 15.0609 ± 0.0008 Å
• c: 19.2433 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4365 ± 0.4 ų
• Cell temperature: 270 ± 0.14 K
• Ambient diffraction temperature: 270 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No