Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575777
Preview
| Coordinates | 1575777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71.36 H36.03 Fe3 N4 O15 |
|---|---|
| Calculated formula | C71.3589 H36.026 Fe3 N3.9981 O14.9998 |
| a | 19.5213 ± 0.0006 Å |
| b | 19.5213 ± 0.0006 Å |
| c | 11.4015 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3762.8 ± 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 | 0.0911 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.2085 |
| Weighted residual factors for all reflections included in the refinement | 0.2275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
1575777.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.