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Information card for entry 2008886
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| Coordinates | 2008886.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | D-BCCD |
|---|---|
| Chemical name | Deuterated Betaine Calcium Chloride Dihydrate |
| Formula | C5 Ca Cl2 D15 N O4 |
| Calculated formula | C5 Ca Cl2 D15 N O4 |
| Title of publication | Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study |
| Authors of publication | Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1463 - 1466 |
| a | 10.82 ± 0.03 Å |
| b | 9.98 ± 0.02 Å |
| c | 53.93 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5824 ± 2 Å3 |
| Cell temperature | 68 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 significantly intense reflections | 0.123 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Goodness-of-fit parameter for significantly intense reflections | 1.03 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.528 Å |
| Diffraction radiation type | Neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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