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Information card for entry 7237071
Preview
| Coordinates | 7237071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H14 B2 F8 N2 |
|---|---|
| Calculated formula | C8 H14 B2 F8 N2 |
| 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 | 10.87 ± 0.004 Å |
| b | 9.528 ± 0.003 Å |
| c | 12.575 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1302.4 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1595 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237071.cif |
| 236805 | 2019-11-24 | cif/ Adding structures of 7237068, 7237069, 7237070, 7237071 via cif-deposit CGI script. |
7237071.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.