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Information card for entry 7229344
Preview
| Coordinates | 7229344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(4-bromophenyl)fumaronitrile |
|---|---|
| Formula | C16 H8 Br2 N2 |
| Calculated formula | C16 H8 Br2 N2 |
| Title of publication | Polymorphism in crystals of bis(4-bromophenyl)fumaronitrile through vapour phase growth |
| Authors of publication | Jensen, Torsten T.; Potticary, Jason; Terry, Lui R.; Bruce Macdonald, Hannah E.; Brandenburg, Jan Gerit; Hall, Simon R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 3.8726 ± 0.0001 Å |
| b | 10.7671 ± 0.0004 Å |
| c | 16.5188 ± 0.0006 Å |
| α | 90.217 ± 0.003° |
| β | 93.186 ± 0.003° |
| γ | 98.738 ± 0.002° |
| Cell volume | 679.68 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202087 (current) | 2017-10-18 | cif/ Adding structures of 7229344, 7229345 via cif-deposit CGI script. |
7229344.cif |
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