Information card for entry 4111125

Structure parameters

• Common name: MOF-Fe/AgOTf-1
• Formula: C160 H123 Ag3 F9 Fe3 N29 O9 S3
• Calculated formula: C160 H123 Ag3 F9 Fe3 N29 O9 S3
• Title of publication: Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design
• Authors of publication: Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15255 - 15268
• a: 33.186 ± 0.005 Å
• b: 66.054 ± 0.01 Å
• c: 14.882 ± 0.002 Å
• α: 90°
• β: 110.699 ± 0.002°
• γ: 90°
• Cell volume: 30517 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.162
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No