Information card for entry 4127582

Structure parameters

• Formula: C21 H12 N12 O6
• Calculated formula: C21 H12 N12 O6
• Title of publication: Postsynthetic Metalation of a Robust Hydrogen-Bonded Organic Framework for Heterogeneous Catalysis.
• Authors of publication: Han, Bin; Wang, Hailong; Wang, Chiming; Wu, Hui; Zhou, Wei; Chen, Banglin; Jiang, Jianzhuang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8737 - 8740
• a: 23.0932 ± 0.0015 Å
• b: 8.0164 ± 0.0004 Å
• c: 20.0514 ± 0.0018 Å
• α: 90°
• β: 105.212 ± 0.008°
• γ: 90°
• Cell volume: 3581.9 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2145
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No