Information card for entry 1508523

Structure parameters

• Common name: MOF326, SQUEEZED refinement
• Formula: C48 H72 B6 N12 O13 Zn4
• Calculated formula: C48 H72 B6 N12 O13 Zn4
• Title of publication: Hydrogen Storage in New Metal‒Organic Frameworks
• Authors of publication: Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2012
• Journal volume: 116
• Journal issue: 24
• Pages of publication: 13143
• a: 33.41 ± 0.004 Å
• b: 33.41 ± 0.004 Å
• c: 33.41 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37293 ± 8 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 6
• 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: 0.1335
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1507798
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No