Information card for entry 7108223

Structure parameters

• Formula: C180 Co6 N12 O44 Zn8
• Calculated formula: C180 Co6 N12 O44 Zn8
• Title of publication: Blocking bimolecular activation pathways leads to different regioselectivity in metal-organic framework catalysis
• Authors of publication: Teng Zhang; Feijie Song; Wenbin Lin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8766
• a: 41.5687 ± 0.0002 Å
• b: 41.5687 ± 0.0002 Å
• c: 41.5687 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 71828.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 209
• Hermann-Mauguin space group symbol: F 4 3 2
• Hall space group symbol: F 4 2 3
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.3281
• Weighted residual factors for all reflections included in the refinement: 0.3434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.811
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No