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Information card for entry 2101918
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| Coordinates | 2101918.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,12-dibromododecane/urea inclusion |
|---|---|
| Formula | C2.08 H6.16 Br0.18 N2 O |
| Calculated formula | C3 H4 N2 O |
| Title of publication | Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds |
| Authors of publication | Yeo, L.; Harris, K. D. M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 822 - 830 |
| a | 8.2201 ± 0.0013 Å |
| b | 8.2201 ± 0.0013 Å |
| c | 11.0342 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 645.69 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.1121 |
| Residual factor for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections | 0.3018 |
| Weighted residual factors for significantly intense reflections | 0.2987 |
| Goodness-of-fit parameter for all reflections | 1.22 |
| Goodness-of-fit parameter for significantly intense reflections | 1.219 |
| 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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