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Information card for entry 1575778
Preview
| Coordinates | 1575778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74.49 H40 Fe3 N2 O13 |
|---|---|
| Calculated formula | C74.493 H39.9998 Fe3 N2.0001 O13 |
| a | 19.5208 ± 0.0007 Å |
| b | 19.5208 ± 0.0007 Å |
| c | 11.499 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3794.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 187 |
| Hermann-Mauguin space group symbol | P -6 m 2 |
| Hall space group symbol | P -6 2 |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.2116 |
| Weighted residual factors for all reflections included in the refinement | 0.2216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302158 (current) | 2025-09-17 | cif/ Adding structures of 1575776, 1575777, 1575778, 1575779, 1575780, 1575781, 1575782, 1575783, 1575784 via cif-deposit CGI script. |
1575778.cif |
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Users of the data should acknowledge the original authors of the
structural data.