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Information card for entry 4000138
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| Coordinates | 4000138.cif |
|---|
| Formula | C10 H14.12 Cd N2 O20.39 Zr |
|---|---|
| Calculated formula | C10 H14.12 Cd N2 O20.394 Zr |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 9.105 ± 0.005 Å |
| b | 9.105 ± 0.005 Å |
| c | 23.656 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 120 ± 0.005° |
| Cell volume | 1698.4 ± 1.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 151 |
| Hermann-Mauguin space group symbol | P 31 1 2 |
| Hall space group symbol | P 31 2 (0 0 4) |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
| Diffraction radiation wavelength | 0.71069 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.