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Information card for entry 1550870
Preview
| Coordinates | 1550870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H48 N2 Ni O3 P2 |
|---|---|
| Calculated formula | C30 H48 N2 Ni O3 P2 |
| SMILES | [Ni]12([P](c3c(N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)ccc(c3)C)(C(C)C)C(C)C)N(=O)=O.O1CCCC1 |
| 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 | 19.069 ± 0.005 Å |
| b | 11.77 ± 0.003 Å |
| c | 15.216 ± 0.004 Å |
| α | 90° |
| β | 111.157 ± 0.008° |
| γ | 90° |
| Cell volume | 3184.9 ± 1.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0546 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214572 (current) | 2019-04-10 | cif/ Adding structures of 1550869, 1550870, 1550871 via cif-deposit CGI script. |
1550870.cif |
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Users of the data should acknowledge the original authors of the
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