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Information card for entry 4132862
Preview
| Coordinates | 4132862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 O16 Zr3 |
|---|---|
| Calculated formula | C12 H8 O16 Zr3 |
| Title of publication | Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks. |
| Authors of publication | Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 32 |
| Pages of publication | 10153 - 10157 |
| a | 16.68 Å |
| b | 16.68 Å |
| c | 17.94 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4991.31 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.1488 |
| Residual factor for significantly intense reflections | 0.138 |
| Weighted residual factors for significantly intense reflections | 0.3859 |
| Weighted residual factors for all reflections included in the refinement | 0.3986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.655 |
| Diffraction radiation wavelength | 0.71656 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242750 (current) | 2019-11-26 | cif/ Adding structures of 4132862 via cif-deposit CGI script. |
4132862.cif |
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Users of the data should acknowledge the original authors of the
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