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CIF Information Card
Information card for 1004005
1004004 << 1004005 >> 1004006Preview
|
Coordinates |
1004005.cif |
Structure parameters
| Common name | Tungsten Sulfide cluster |
| Chemical name | octakis(\m~3~-sulfido)-hexakis(tert-butylisocyanide)-hexa-tungsten tetrakis(benzene) solvate |
| Formula | - C54 H78 N6 S8 W6 - |
| Calculated formula | - C54 H78 N6 S8 W6 - |
| Title of publication | Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds |
| 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 | 12.1751 ± 0.0006 Å |
| b | 12.5456 ± 0.0006 Å |
| c | 12.7678 ± 0.0006 Å |
| α | 111.532 ± 0.0011° |
| β | 110.339 ± 0.0011° |
| γ | 93.1387 ± 0.0011° |
| Cell volume | 1663.41 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P-1 |
| Residual factor for all reflections | 0.0693 |
| Residual factor for observed reflections | 0.0412 |
| Weighted residual factors for the observed reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for observed reflections | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |