Information card for entry 1508522

Structure parameters

• Common name: mof325
• Chemical name: Cu3[(Cu3O)(PyC)3(NO3)]2.(DEF)18(NMP)3(H2O)8
• Formula: C24 H12 Cu9 N12 O23
• Calculated formula: C24 H12 Cu9 N12 O23
• 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: 42.606 ± 0.003 Å
• b: 42.606 ± 0.003 Å
• c: 42.606 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 77341 ± 9 ų
• Cell temperature: 258 ± 2 K
• Ambient diffraction temperature: 258 ± 2 K
• Number of distinct elements: 5
• 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: 0.1251
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1507797
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No