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Information card for entry 2012016
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| Coordinates | 2012016.cif |
|---|---|
| Structure factors | 2012016.hkl |
| Original IUCr paper | HTML |
| Common name | (dimethylquinoxalineH)2CuBr3 |
|---|---|
| Chemical name | Bis(dimethylquinoxalinium)tribrocuprate(I) |
| Formula | C20 H22 Br3 Cu N4 |
| Calculated formula | C20 H22 Br3 Cu N4 |
| SMILES | [Cu](Br)([Br-])[Br-].[nH+]1c(c(nc2ccccc12)C)C.[nH+]1c(c(nc2ccccc12)C)C |
| Title of publication | Bis(2,3-dimethylquinoxalinium) tribromocuprate(I) |
| Authors of publication | Willett, Roger D.; Twamley, Brendan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 706 - 708 |
| a | 7.2603 ± 0.0016 Å |
| b | 10.777 ± 0.002 Å |
| c | 15.197 ± 0.003 Å |
| α | 73.544 ± 0.004° |
| β | 77.338 ± 0.004° |
| γ | 83.827 ± 0.004° |
| Cell volume | 1111.3 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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