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Information card for entry 4131910
Preview
| Coordinates | 4131910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H4.6 O44.5 Zr6 |
|---|---|
| Calculated formula | C44 H4.6 O44.4998 Zr6 |
| Title of publication | Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis. |
| Authors of publication | Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 6 |
| Pages of publication | 2028 - 2031 |
| a | 20.747 ± 0.004 Å |
| b | 20.747 ± 0.004 Å |
| c | 14.67 ± 0.003 Å |
| α | 90° |
| β | 135 ± 0.03° |
| γ | 90° |
| Cell volume | 4465 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.162 |
| Weighted residual factors for all reflections included in the refinement | 0.1791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.6199 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242002 (current) | 2019-11-25 | cif/ Adding structures of 4131910 via cif-deposit CGI script. |
4131910.cif |
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Users of the data should acknowledge the original authors of the
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