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Information card for entry 7208656
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| Coordinates | 7208656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-diazabicyclo(2.2.2)octane hydrobromide |
|---|---|
| Formula | C6 H13 Br N2 |
| Calculated formula | C6 H13 Br N2 |
| Title of publication | Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane |
| Authors of publication | Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 6428 |
| a | 12.129 ± 0.0004 Å |
| b | 12.7912 ± 0.0004 Å |
| c | 11.0668 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1716.95 ± 0.1 Å3 |
| Cell temperature | 478 K |
| Ambient diffraction temperature | 478 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor R(I) for significantly intense reflections | 5.9364 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.5385 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180417 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/86. |
7208656.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208656.cif |
| 71445 | 2013-01-20 | cif/ Adding structures of 7208656, 7208657 via cif-deposit CGI script. |
7208656.cif |
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