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Information card for entry 1573223
Preview
| Coordinates | 1573223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H92 Cl2 N6 O26 Zr6 |
|---|---|
| Calculated formula | C58 H64 Cl2 N2 O22 Zr6 |
| Title of publication | Tunable Synthesis of Heteroleptic Zirconium-Based Porous Coordination Cages |
| Authors of publication | Morey, Merissa N.; Montone, Christine M.; Dworzak, Michael; Yap, Glenn P. A.; Bloch, Eric D. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 14.0277 ± 0.0006 Å |
| b | 31.9593 ± 0.0012 Å |
| c | 20.8847 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9362.9 ± 0.6 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1161 |
| Residual factor for significantly intense reflections | 0.1118 |
| Weighted residual factors for significantly intense reflections | 0.2385 |
| Weighted residual factors for all reflections included in the refinement | 0.2408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296020 (current) | 2024-11-21 | cif/ Adding structures of 1573223 via cif-deposit CGI script. |
1573223.cif |
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Users of the data should acknowledge the original authors of the
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