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Information card for entry 1550871
Preview
| Coordinates | 1550871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H40 N2 Ni O P2 |
|---|---|
| Calculated formula | C26 H40 N2 Ni O P2 |
| SMILES | [Ni]12([P](c3c(N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)ccc(c3)C)(C(C)C)C(C)C)N=O |
| Title of publication | One metal is enough: A nickel complex reduces nitrate anions to nitrogen gas |
| Authors of publication | Gwak, Jinseong; Ahn, Seihwan; Baik, Mu-Hyun; Lee, Yunho |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.2521 ± 0.0009 Å |
| b | 13.1173 ± 0.0008 Å |
| c | 31.732 ± 0.002 Å |
| α | 90° |
| β | 93.841 ± 0.003° |
| γ | 90° |
| Cell volume | 5503.6 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214572 (current) | 2019-04-10 | cif/ Adding structures of 1550869, 1550870, 1550871 via cif-deposit CGI script. |
1550871.cif |
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