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Information card for entry 7045460
Preview
| Coordinates | 7045460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H40 Ni O2 P2 S |
|---|---|
| Calculated formula | C22 H40 Ni O2 P2 S |
| Title of publication | A reaction of [2,6-(<sup>t</sup>Bu<sub>2</sub>PO)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>]NiSCH<sub>2</sub>Ph with BH<sub>3</sub>·THF: borane mediated C-S bond cleavage. |
| Authors of publication | Zhang, Jie; Liu, Ting; Ma, Qiang-Qiang; Li, Shujun; Chen, Xuenian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 17 |
| Pages of publication | 6018 - 6024 |
| a | 8.3584 ± 0.0007 Å |
| b | 11.8024 ± 0.0009 Å |
| c | 13.3916 ± 0.0011 Å |
| α | 99.952 ± 0.002° |
| β | 95.864 ± 0.002° |
| γ | 104.444 ± 0.002° |
| Cell volume | 1245.36 ± 0.18 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.