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Information card for entry 2000044
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| Coordinates | 2000044.cif |
|---|
| Formula | C42 H86 N2 P4 S8 W6 |
|---|---|
| Calculated formula | C42 H86 N2 P4 S8 W6 |
| Title of publication | The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters |
| Authors of publication | Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2002 |
| Journal volume | 124 |
| Pages of publication | 9229 - 9240 |
| a | 15.8389 ± 0.0012 Å |
| b | 19.4806 ± 0.0014 Å |
| c | 20.0882 ± 0.0015 Å |
| α | 90° |
| β | 95.542 ± 0.002° |
| γ | 90° |
| Cell volume | 6169.27 Å3 |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0388 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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