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Information card for entry 5000345
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| Coordinates | 5000345.cif |
|---|
| Formula | C92 H82 Cl42 Fe6 N8 O27 |
|---|---|
| Calculated formula | C93.3205 H66 Cl41.9999 Fe6 N8 O29.7604 |
| a | 14.217 ± 0.003 Å |
| b | 18.397 ± 0.004 Å |
| c | 14.17 ± 0.003 Å |
| α | 111.963 ± 0.011° |
| β | 98.869 ± 0.012° |
| γ | 82.316 ± 0.012° |
| Cell volume | 3384.5 ± 1.3 Å3 |
| Cell temperature | 106 K |
| Ambient diffraction temperature | 106 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.0964 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.