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Information card for entry 7131719
Preview
| Coordinates | 7131719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C189 H255 Cl4 N21 O67 Zr12 |
|---|---|
| Calculated formula | C126 H108 Cl4 O46 Zr12 |
| 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 | 28.889 ± 0.005 Å |
| b | 27.244 ± 0.005 Å |
| c | 29.476 ± 0.005 Å |
| α | 90° |
| β | 91.802 ± 0.007° |
| γ | 90° |
| Cell volume | 23188 ± 7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.2407 |
| Weighted residual factors for all reflections included in the refinement | 0.2564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
7131719.cif |
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Users of the data should acknowledge the original authors of the
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