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CIF Information Card
Information card for 1004003
1004002 << 1004003 >> 1004004Preview
|
Coordinates |
1004003.cif |
Structure parameters
| Formula | - C44 H90 F6 O2 P7 S8 W6 - |
| Calculated formula | - C44.04 H90 F5.96 O1.98 P7 S8 W6 - |
| Title of publication | Synthesis and Characterization of Oxidized W6S8L6 Clusters |
| Authors of publication | Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2660 - 2665 |
| a | 13.9117 ± 0.0001 Å |
| b | 13.9117 ± 0.0001 Å |
| c | 32.4106 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5432.23 ± 0.06 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | R -3 :H |
| Hall symmetry space group | -R 3 |
| Residual factor for all reflections | 0.0539 |
| Residual factor for observed reflections | 0.0451 |
| Weighted residual factors for all reflections | 0.0774 |
| Weighted residual factors for the observed reflections | 0.0755 |
| Goodness-of-fit parameter for all reflections | 2.052 |
| Goodness-of-fit parameter for observed reflections | 2.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |