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Information card for entry 7131722
Preview
| Coordinates | 7131722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H68 Cl2 N2 O28 Zr6 |
|---|---|
| Calculated formula | C78 H74 Cl2 N2 O28 Zr6 |
| Title of publication | Rapid Post-Synthetic Modification of Porous Coordination Cages with Copper-Catalyzed Click Chemistry |
| Authors of publication | Dworzak, Michael; Montone, Christine M.; Halaszynski, Nicole Irene; Yap, Glenn P. A.; Kloxin, Christopher; Bloch, Eric D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 33.5754 ± 0.0018 Å |
| b | 33.5754 ± 0.0018 Å |
| c | 17.864 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20138 ± 2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0939 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.2028 |
| Weighted residual factors for all reflections included in the refinement | 0.2214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284028 (current) | 2023-05-27 | cif/ Adding structures of 7131718, 7131719, 7131720, 7131721, 7131722 via cif-deposit CGI script. |
7131722.cif |
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