Information card for entry 1508091

Structure parameters

• Formula: C56 H32 Cu2 O12
• Calculated formula: C56 H32 Cu2 O12
• Title of publication: A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis.
• Authors of publication: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 838 - 846
• a: 30.7816 ± 0.0018 Å
• b: 30.7816 ± 0.0018 Å
• c: 81.603 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 77319 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2295
• Weighted residual factors for all reflections included in the refinement: 0.2515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No