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Information card for entry 4130457
Preview
| Coordinates | 4130457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TPHN-MgMe |
|---|---|
| Formula | C0.99 H0.61 O0.2 Zr0.04 |
| Calculated formula | C0.987342 H0.455696 O0.202532 Zr0.0379747 |
| Title of publication | Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions. |
| Authors of publication | Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 24 |
| Pages of publication | 7488 - 7491 |
| a | 38.554 ± 0.004 Å |
| b | 38.554 ± 0.004 Å |
| c | 38.554 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 57307 ± 10 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.15 |
| Residual factor for significantly intense reflections | 0.1132 |
| Weighted residual factors for significantly intense reflections | 0.3252 |
| Weighted residual factors for all reflections included in the refinement | 0.3402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.258 |
| Diffraction radiation wavelength | 0.41328 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240881 (current) | 2019-11-25 | cif/ Adding structures of 4130457 via cif-deposit CGI script. |
4130457.cif |
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Users of the data should acknowledge the original authors of the
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