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Information card for entry 3500122
Preview
| Coordinates | 3500122.cif |
|---|---|
| Structure factors | 3500122.hkl |
| Formula | C10 H10 Cd I2 N10 |
|---|---|
| Calculated formula | C10 H10 Cd I2 N10 |
| SMILES | [Cd](I)(I)([n]1cnn2c1nccc2N)[n]1cnn2c1nccc2N |
| Authors of publication | Noelia Santamaría; Miguel Quirós; Juan M. Salas |
| Journal of publication | Personal communication to COD |
| Year of publication | 2022 |
| a | 8.5479 ± 0.0019 Å |
| b | 9.685 ± 0.002 Å |
| c | 11.565 ± 0.003 Å |
| α | 82.991 ± 0.004° |
| β | 79.282 ± 0.004° |
| γ | 74.526 ± 0.004° |
| Cell volume | 904 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274663 (current) | 2022-04-25 | cif/ hkl/ Adding structures of 3500122 via cif-deposit CGI script. |
3500122.cif 3500122.hkl |
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Users of the data should acknowledge the original authors of the
structural data.