Information card for entry 4303463

Structure parameters

• Formula: C27 H30 Cu2 N2 O10 S2
• Calculated formula: C27 H30 Cu2 N2 O10 S2
• Title of publication: Synthesis and Gas Sorption Properties of a Metal-Azolium Framework (MAF) Material
• Authors of publication: Jeong Yong Lee; John M. Roberts; Omar K. Farha; Amy A. Sarjeant; Karl A. Scheidt; Joseph T. Hupp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9971 - 9973
• a: 15.2609 ± 0.0004 Å
• b: 27.036 ± 0.0008 Å
• c: 9.5603 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3944.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.2406
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.3205
• Weighted residual factors for all reflections included in the refinement: 0.3462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No