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Information card for entry 1552909
Preview
| Coordinates | 1552909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H105 K N2 Ni O8 S2 |
|---|---|
| Calculated formula | C59 H77 K N2 Ni O8 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 | 38.446 ± 0.004 Å |
| b | 18.5998 ± 0.0016 Å |
| c | 18.9696 ± 0.0016 Å |
| α | 90° |
| β | 112.48 ± 0.002° |
| γ | 90° |
| Cell volume | 12534 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1641 |
| Residual factor for significantly intense reflections | 0.0865 |
| Weighted residual factors for significantly intense reflections | 0.2195 |
| Weighted residual factors for all reflections included in the refinement | 0.2693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
1552909.cif |
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Users of the data should acknowledge the original authors of the
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