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Information card for entry 5000355
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| Coordinates | 5000355.cif |
|---|
| Formula | C85 H96 Mn4 N10 O20 |
|---|---|
| Calculated formula | C85 H90 Mn4 N10 O20 |
| a | 12.1886 ± 0.0003 Å |
| b | 17.813 ± 0.0005 Å |
| c | 22.0268 ± 0.0005 Å |
| α | 68.1714 ± 0.0008° |
| β | 84.7029 ± 0.0008° |
| γ | 83.0696 ± 0.0007° |
| Cell volume | 4401.2 ± 0.3 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 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 | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2045 |
| Diffraction radiation wavelength | 0.71073 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.