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Information card for entry 4000212
Preview
| Coordinates | 4000212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H7 Cu I N O |
|---|---|
| Calculated formula | C7 H7 Cu I N O |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 4.121 ± 0.004 Å |
| b | 8.376 ± 0.004 Å |
| c | 26.321 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 908.5 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.