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CIF Information Card
Information card for 1004002
1004001 << 1004002 >> 1004003Preview
|
Coordinates |
1004002.cif |
Structure parameters
| Common name | Tungsten sulfide cluster with |
| Chemical name | octakis(mu!3$-sulfido)-hexakis(triphenylphophine) -hexa-tungsten-(benzene)solvate |
| Formula | - C114 H96 P6 S8 W6 - |
| Calculated formula | - C114 H96 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 | 14.6107 ± 0.0006 Å |
| b | 16.6282 ± 0.0007 Å |
| c | 21.2344 ± 0.0009 Å |
| α | 96.3869 ± 0.0009° |
| β | 93.7166 ± 0.001° |
| γ | 92.1225 ± 0.001° |
| Cell volume | 5111 ± 0.4 Å3 |
| Cell temperature | 446 ± 2 K |
| Ambient diffraction temperature | 446 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P-1 |
| Residual factor for all reflections | 0.0723 |
| Residual factor for observed reflections | 0.0368 |
| Weighted residual factors for the observed reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for observed reflections | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |