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Information card for entry 5000325
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| Coordinates | 5000325.cif |
|---|
| Formula | C107 H85 Fe8 N5 O31 |
|---|---|
| Calculated formula | C106 Fe8 N5 O31 |
| a | 19.211 ± 0.008 Å |
| b | 23.676 ± 0.011 Å |
| c | 15.767 ± 0.008 Å |
| α | 103.14 ± 0.02° |
| β | 99.07 ± 0.02° |
| γ | 108.96 ± 0.02° |
| Cell volume | 6393 ± 5 Å3 |
| Cell temperature | 105 K |
| Ambient diffraction temperature | 105 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.1877 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.9087 |
| 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.