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CIF Information Card
Information card for 1004001
1004000 << 1004001 >> 1004002Preview
|
Coordinates |
1004001.cif |
Structure parameters
| Common name | Tungsten sulfide cluster with tri-n- |
| Chemical name | octakis(mu!3$-sulfido)-hexakis(tri-n-butylphosphine) -hexa-tungsten |
| Formula | - C72 H162 P6 S8 W6 - |
| Calculated formula | - C72 H162 P6 S8 W6 - |
| Authors of publication | Jin, Song.; Zhou, Ran.; Scheuer, Ellen. M.; Adamchuk, Jennifer.; Rayburn, Lori. L.; DiSalvo, Francis. J. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2666 - 2674 |
| a | 24.6648 ± 0.0012 Å |
| b | 19.8619 ± 0.0009 Å |
| c | 20.1365 ± 0.001 Å |
| α | 90° |
| β | 103.324 ± 0.001° |
| γ | 90° |
| Cell volume | 9599.1 ± 0.8 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0396 |
| Residual factor for observed reflections | 0.025 |
| Weighted residual factors for the observed reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for observed reflections | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |