Information card for entry 4509727

Structure parameters

• Formula: C64.5 H61.95 N4 O14.75 Zn2
• Calculated formula: C64.5 H61.95 N4 O14.75 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: 12.975 ± 0.002 Å
• b: 13.06 ± 0.002 Å
• c: 22.382 ± 0.004 Å
• α: 95.776 ± 0.002°
• β: 92.004 ± 0.003°
• γ: 112.678 ± 0.002°
• Cell volume: 3470.5 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No