Information card for entry 1507796

Structure parameters

• Formula: C24 H12 N12 O25 Zn6
• Calculated formula: C24 H12 N12 O25 Zn6
• 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: 20.123 ± 0.002 Å
• b: 20.123 ± 0.002 Å
• c: 20.123 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8148.5 ± 1.4 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.255
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No