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Information card for entry 3500124
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| Coordinates | 3500124.cif |
|---|---|
| Structure factors | 3500124.hkl |
| Formula | C6 H16 Cl2 Cu N4 O14 |
|---|---|
| Calculated formula | C6 H16 Cl2 Cu N4 O14 |
| Authors of publication | Noelia Santamaría; Miguel Quirós; Juan M. Salas |
| Journal of publication | Personal communication to COD |
| Year of publication | 2022 |
| a | 26.241 ± 0.006 Å |
| b | 12.644 ± 0.003 Å |
| c | 10.303 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3418.4 ± 1.3 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274736 (current) | 2022-04-28 | cif/ hkl/ Adding structures of 3500124 via cif-deposit CGI script. |
3500124.cif 3500124.hkl |
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Users of the data should acknowledge the original authors of the
structural data.