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Information card for entry 4127605
Preview
| Coordinates | 4127605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H100.2 Mg2 N6 O0.2 |
|---|---|
| Calculated formula | C72 H100.2 Mg2 N6 O0.2 |
| Title of publication | Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds. |
| Authors of publication | Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 22 |
| Pages of publication | 8764 - 8768 |
| a | 19.6232 ± 0.0001 Å |
| b | 16.9557 ± 0.0001 Å |
| c | 20.7704 ± 0.0001 Å |
| α | 90° |
| β | 106.957 ± 0.001° |
| γ | 90° |
| Cell volume | 6610.38 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220817 (current) | 2019-11-02 | cif/ Adding structures of 4127605 via cif-deposit CGI script. |
4127605.cif |
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