Information card for entry 4122616

Structure parameters

• Formula: C64 H64 Cl4 Fe4 N4 O7
• Calculated formula: C64 H56 Cl4 Fe4 N4 O7
• Title of publication: Salicylaldimine-based metal-organic framework enabling highly active olefin hydrogenation with iron and cobalt catalysts.
• Authors of publication: Manna, Kuntal; Zhang, Teng; Carboni, Michaël; Abney, Carter W.; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 38
• Pages of publication: 13182 - 13185
• a: 12.5283 ± 0.001 Å
• b: 15.1652 ± 0.0013 Å
• c: 16.1665 ± 0.0014 Å
• α: 90°
• β: 97.5071 ± 0.0017°
• γ: 90°
• Cell volume: 3045.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2982
• Weighted residual factors for all reflections included in the refinement: 0.3052
• Goodness-of-fit parameter for all reflections included in the refinement: 2.079
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No