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Information card for entry 1568083
Preview
| Coordinates | 1568083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H68 Cl2 Mo N4 |
|---|---|
| Calculated formula | C70 H68 Cl2 Mo N4 |
| Title of publication | Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes. |
| Authors of publication | Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L. |
| Journal of publication | Faraday discussions |
| Year of publication | 2023 |
| Journal volume | 243 |
| Journal issue | 0 |
| Pages of publication | 429 - 449 |
| a | 19.8644 ± 0.001 Å |
| b | 25.0963 ± 0.0009 Å |
| c | 11.9054 ± 0.0009 Å |
| α | 90° |
| β | 105.033 ± 0.007° |
| γ | 90° |
| Cell volume | 5732 ± 0.6 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1623 |
| Residual factor for significantly intense reflections | 0.0974 |
| Weighted residual factors for significantly intense reflections | 0.2362 |
| Weighted residual factors for all reflections included in the refinement | 0.2844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286136 (current) | 2023-09-05 | cif/ Updating files of 1568082, 1568083 Original log message: Adding full bibliography for 1568082--1568083.cif. |
1568083.cif |
| 279810 | 2022-12-09 | cif/ Adding structures of 1568082, 1568083 via cif-deposit CGI script. |
1568083.cif |
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Users of the data should acknowledge the original authors of the
structural data.