Information card for entry 4509728

Structure parameters

• Formula: C75.78 H46.31 N7.46 O20.92 Zn2
• Calculated formula: C75.748 H46.32 N7.458 O20.916 Zn2
• Title of publication: Crystal to Crystal Guest Exchange in a Mixed Ligand Metal−Organic Framework
• Authors of publication: Nelson, Andrew P.; Parrish, Damon A.; Cambrea, Lee R.; Baldwin, Lawrence C.; Trivedi, Nirupam J.; Mulfort, Karen L.; Farha, Omar K.; Hupp, Joseph T.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 4588
• a: 13.063 ± 0.002 Å
• b: 22.324 ± 0.004 Å
• c: 13.129 ± 0.002 Å
• α: 90°
• β: 95.149 ± 0.003°
• γ: 90°
• Cell volume: 3813.2 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No