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Information card for entry 7233563
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| Coordinates | 7233563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dabco hydrochloride trihydrate |
|---|---|
| Chemical name | 1,4diazabicyclo[2.2.2]octane hydrochloride trihydrate |
| Formula | C6 H19 Cl N2 O3 |
| Calculated formula | C6 H17 Cl N2 O3 |
| Title of publication | Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns |
| Authors of publication | Marek Szafranski |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2012 |
| Journal volume | 1 |
| Pages of publication | 7904 - 7913 |
| a | 5.2847 ± 0.0002 Å |
| b | 17.004 ± 0.0013 Å |
| c | 12.0194 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1080.08 ± 0.12 Å3 |
| Cell temperature | 295 ± 0.1 K |
| Ambient diffraction temperature | 295 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.1248 |
| Residual factor for significantly intense reflections | 0.092 |
| Weighted residual factors for significantly intense reflections | 0.2768 |
| Weighted residual factors for all reflections included in the refinement | 0.3148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217842 (current) | 2019-08-29 | cif/ Adding structures of 7233563 via cif-deposit CGI script. |
7233563.cif |
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Users of the data should acknowledge the original authors of the
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