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Information card for entry 7229192
Preview
| Coordinates | 7229192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Br2 N2 |
|---|---|
| Calculated formula | C12 H12 Br2 N2 |
| Title of publication | Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases |
| Authors of publication | Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 5.1052 ± 0.0008 Å |
| b | 10.2491 ± 0.0015 Å |
| c | 12.6953 ± 0.0018 Å |
| α | 90° |
| β | 93.053 ± 0.002° |
| γ | 90° |
| Cell volume | 663.32 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201007 (current) | 2017-09-19 | cif/ Adding structures of 7229184, 7229185, 7229186, 7229187, 7229188, 7229189, 7229190, 7229191, 7229192 via cif-deposit CGI script. |
7229192.cif |
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Users of the data should acknowledge the original authors of the
structural data.