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Information card for entry 1564206
Preview
| Coordinates | 1564206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 N4 Ni O3 |
|---|---|
| Calculated formula | C22 H28 N4 Ni O3 |
| SMILES | [Ni]1(ON=O)([N](c2c(cc(cc2C)C)C)=C(C(=[N]1c1c(cc(cc1C)C)C)C)C)N=O |
| Title of publication | Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction |
| Authors of publication | Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 11.606 ± 0.0007 Å |
| b | 16.8019 ± 0.0011 Å |
| c | 12.3281 ± 0.0008 Å |
| α | 90° |
| β | 111.731 ± 0.002° |
| γ | 90° |
| Cell volume | 2233.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267626 (current) | 2021-07-18 | cif/ Adding structures of 1564201, 1564202, 1564203, 1564204, 1564205, 1564206, 1564207 via cif-deposit CGI script. |
1564206.cif |
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