Information card for entry 4513872

Structure parameters

• Formula: C51 H32 N4 O9 Zn2
• Calculated formula: C51 H32 N4 O9 Zn2
• Title of publication: Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis
• Authors of publication: Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 3248
• a: 36.0683 ± 0.0019 Å
• b: 36.0683 ± 0.0019 Å
• c: 27.0566 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35199 ± 3 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.2038
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.3688
• Weighted residual factors for all reflections included in the refinement: 0.4101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No