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CIF Information Card
Information card for 2000015
2000014 << 2000015 >> 2000016Preview
|
Coordinates |
2000015.cif |
Structure parameters
| Common name | molybdenum sulfide cluster with bipyridyl |
| Chemical name | octakis(mu!3$-sulfido)-hexakis(4,4'-bipyridyl) -hexa-molybdenum pentakis(aniline) solvate |
| Formula | - C90 H83 Mo6 N17 S8 - |
| Calculated formula | - C90 H83 Mo6 N17 S8 - |
| Title of publication | Synthesis, characterization and properties of Mo6S8(4-tert-butylpyridine)6 and related M6S8L6 cluster complexes (M = Mo, W) |
| Authors of publication | Jin, Song; Popp, Friedrich; Boettcher, Shannon W.; Yuan, Min; Oertel, Catherine M.; DiSalvo, Francis J. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 16 |
| Pages of publication | 3096 |
| a | 9.3457 ± 0.0009 Å |
| b | 15.7644 ± 0.0016 Å |
| c | 15.7752 ± 0.0016 Å |
| α | 99.506 ± 0.003° |
| β | 98.305 ± 0.003° |
| γ | 96.087 ± 0.003° |
| Cell volume | 2248 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0872 |
| Residual factor for observed reflections | 0.0435 |
| Weighted residual factors for the observed reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for observed reflections | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |