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Information card for entry 1573696
Preview
| Coordinates | 1573696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10.96 H8.96 Br2 N6 Zn |
|---|---|
| Calculated formula | C10 H8 Br2 N6 Zn |
| a | 16.7719 ± 0.0001 Å |
| b | 16.7719 ± 0.0001 Å |
| c | 16.7719 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4717.88 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| 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 |
|---|---|---|---|
| 297335 (current) | 2025-01-16 | cif/ Adding structures of 1573695, 1573696 via cif-deposit CGI script. |
1573696.cif |
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Users of the data should acknowledge the original authors of the
structural data.