Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2000017
2000016 << 2000017 >> 2000018Preview
|
Coordinates |
2000017.cif |
Structure parameters
| Common name | Molybdenum sulfide cluster with |
| Chemical name | octakis(mu!3$-sulfido)-hexakis(4-tert-butylpyridine) -hexa-molybdenum-bis(diethylether)solvate |
| Formula | - C62 H98 Mo6 N6 O2 S8 - |
| Calculated formula | - C62 H98 Mo6 N6 O2 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 | 30.192 ± 0.003 Å |
| b | 9.3346 ± 0.0008 Å |
| c | 27.803 ± 0.002 Å |
| α | 90° |
| β | 103.45 ± 0.003° |
| γ | 90° |
| Cell volume | 7620.8 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0674 |
| Residual factor for observed reflections | 0.0451 |
| Weighted residual factors for the observed reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for observed reflections | 1.345 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |