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CIF Information Card
Information card for 1004007
1004006 << 1004007 >> 1004008Preview
|
Coordinates |
1004007.cif |
Structure parameters
| Common name | Tungsten Sulfide cluster |
| Chemical name | octakis(\mu~3~-sulfido)-hexakis(tert-butylamine)-hexa-tungsten tert-butylamine solvate |
| Formula | - C32 H88 N8 S8 W6 - |
| Calculated formula | - C32 H88 N8 S8 W6 - |
| Title of publication | Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds |
| Authors of publication | Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2666 - 2674 |
| a | 23.1036 ± 0.0004 Å |
| b | 20.8216 ± 0.0003 Å |
| c | 11.497 Å |
| α | 90° |
| β | 99.703 ± 0.001° |
| γ | 90° |
| Cell volume | 5451.46 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0465 |
| Residual factor for observed reflections | 0.0325 |
| Weighted residual factors for all reflections | 0.0905 |
| Weighted residual factors for the observed reflections | 0.0747 |
| Goodness-of-fit parameter for all reflections | 1.061 |
| Goodness-of-fit parameter for observed reflections | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |