Information card for entry 4111138

Structure parameters

• Common name: MOF-CoFe/AgOTf-1
• Formula: C86 H60 Ag2 Co F6 Fe N18 O6 S2
• Calculated formula: C86 H60 Ag2 Co F6 Fe N18 O6 S2
• 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: 26.813 ± 0.003 Å
• b: 12.6035 ± 0.0012 Å
• c: 33.472 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11311.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No