Information card for entry 4119580

Structure parameters

• Formula: C199 H166.5 B8 F32 Fe4 N27.5 O12
• Calculated formula: C199 H166.5 B4 F16 Fe4 N27.5 O12
• Title of publication: Chain-Reaction Anion Exchange between Metal-Organic Cages
• Authors of publication: Shucong Ma; Maarten M. J. Smulders; Yana R. Hristova; Jack K. Clegg; Tanya K. Ronson; Salvatore Zarra; Jonathan R. Nitschke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 5678 - 5684
• a: 27.191 ± 0.011 Å
• b: 39.825 ± 0.015 Å
• c: 20.852 ± 0.008 Å
• α: 90°
• β: 96.369 ± 0.003°
• γ: 90°
• Cell volume: 22441 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.3031
• Weighted residual factors for all reflections included in the refinement: 0.3206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.487
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No