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CIF Information Card
Information card for 2000014
2000013 << 2000014 >> 2000015Preview
|
Coordinates |
2000014.cif |
Structure parameters
| Common name | molybdenum sulfide cluster with |
| Chemical name | octakis(mu!3$-sulfido)-hexakis(methylamine) -hexa-molybdenum |
| Formula | - C6 H30 Mo6 N6 S8 - |
| Calculated formula | - C6 H30 Mo6 N6 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 | 9.0965 ± 0.001 Å |
| b | 9.1746 ± 0.001 Å |
| c | 9.5609 ± 0.001 Å |
| α | 116.821 ± 0.002° |
| β | 103.418 ± 0.002° |
| γ | 106.402 ± 0.002° |
| Cell volume | 619.97 ± 0.12 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 | 0.0553 |
| Residual factor for observed reflections | 0.0401 |
| Weighted residual factors for the observed reflections | 0.1023 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for observed reflections | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |