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Information card for entry 1552910
Preview
| Coordinates | 1552910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C117 H178 K2 N4 Ni2 O16 S2 |
|---|---|
| Calculated formula | C117 H170 K2 N4 Ni2 O16 S2 |
| Title of publication | Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. |
| Authors of publication | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 31 |
| Pages of publication | 6580 - 6588 |
| a | 12.5942 ± 0.001 Å |
| b | 20.265 ± 0.002 Å |
| c | 22.942 ± 0.002 Å |
| α | 90° |
| β | 92.03 ± 0.005° |
| γ | 90° |
| Cell volume | 5851.6 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1181 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227761 (current) | 2019-11-14 | cif/ Adding structures of 1552905, 1552906, 1552907, 1552908, 1552909, 1552910 via cif-deposit CGI script. |
1552910.cif |
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Users of the data should acknowledge the original authors of the
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