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Information card for entry 7709474
Preview
| Coordinates | 7709474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H47 F24 N13 Ni2 P4 |
|---|---|
| Calculated formula | C56 H47 F24 N13 Ni2 P4 |
| Title of publication | Stepwise synthesis and catalysis in C-S cross-coupling of pyridine-functionalized N-heterocyclic carbene nickel (II) complexes by mechanochemistry |
| Authors of publication | Cui, Xiaoxiao; Hao, Xiujia; Guo, Fang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 31.2054 ± 0.0015 Å |
| b | 12.4113 ± 0.0006 Å |
| c | 17.276 ± 0.0009 Å |
| α | 90° |
| β | 113.261 ± 0.002° |
| γ | 90° |
| Cell volume | 6147.1 ± 0.5 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272941 (current) | 2022-02-12 | cif/ Adding structures of 7709474, 7709475, 7709476, 7709477 via cif-deposit CGI script. |
7709474.cif |
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