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Information card for entry 4060178
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| Coordinates | 4060178.cif |
|---|
| Formula | C36 H28 Co4 Fe O12 S3 |
|---|---|
| Calculated formula | C36 H28 Co4 Fe O12 S3 |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| a | 8.1828 ± 0.0001 Å |
| b | 34.1578 ± 0.0003 Å |
| c | 14.6109 ± 0.0001 Å |
| α | 90° |
| β | 102.049 ± 0.001° |
| γ | 90° |
| Cell volume | 3993.87 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.