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Information card for entry 1550129
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| Coordinates | 1550129.cif |
|---|---|
| Structure factors | 1550129.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide |
|---|---|
| Formula | C12 H8 Br2 N2 O |
| Calculated formula | C12 H8 Br2 N2 O |
| Title of publication | (<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide |
| Authors of publication | Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | x181486 |
| a | 3.8938 ± 0.0002 Å |
| b | 5.8223 ± 0.0003 Å |
| c | 25.8645 ± 0.0016 Å |
| α | 90° |
| β | 92.044 ± 0.005° |
| γ | 90° |
| Cell volume | 586 ± 0.06 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211686 (current) | 2018-10-27 | cif/ hkl/ Adding structures of 1550129 via cif-deposit CGI script. |
1550129.cif 1550129.hkl |
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