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Information card for entry 4127120
Preview
| Coordinates | 4127120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H104 Co2 K2 N16 |
|---|---|
| Calculated formula | C67 H104 Co2 K2 N16 |
| Title of publication | Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes. |
| Authors of publication | Gao, Yafei; Li, Guangyu; Deng, Liang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| a | 15.537 ± 0.003 Å |
| b | 16.388 ± 0.004 Å |
| c | 16.703 ± 0.004 Å |
| α | 82.057 ± 0.004° |
| β | 65.216 ± 0.004° |
| γ | 72.191 ± 0.004° |
| Cell volume | 3675.9 ± 1.5 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205978 (current) | 2018-02-01 | cif/ Adding structures of 4127118, 4127119, 4127120, 4127121, 4127122, 4127123, 4127124, 4127125, 4127126 via cif-deposit CGI script. |
4127120.cif |
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Users of the data should acknowledge the original authors of the
structural data.