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Information card for entry 7237068
Preview
| Coordinates | 7237068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H17 B F4 N2 O2 |
|---|---|
| Calculated formula | C8 H17 B F4 N2 O2 |
| Title of publication | Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine |
| Authors of publication | Rok, M.; Szklarz, P.; Bator, G. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 38 |
| Pages of publication | 5772 |
| a | 7.469 ± 0.005 Å |
| b | 8.644 ± 0.005 Å |
| c | 10.23 ± 0.007 Å |
| α | 88.12 ± 0.05° |
| β | 88.89 ± 0.05° |
| γ | 71.28 ± 0.06° |
| Cell volume | 625.2 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.2072 |
| Weighted residual factors for all reflections included in the refinement | 0.2205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236805 (current) | 2019-11-24 | cif/ Adding structures of 7237068, 7237069, 7237070, 7237071 via cif-deposit CGI script. |
7237068.cif |
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Users of the data should acknowledge the original authors of the
structural data.