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Information card for entry 4511659
Preview
| Coordinates | 4511659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (3-BrPyH)2CuBr4) |
|---|---|
| Chemical name | 3-Bromopyridinium Tetrabromocuprate(II) |
| Formula | C10 H10 Br6 Cu N2 |
| Calculated formula | C10 H10 Br6 Cu N2 |
| SMILES | Br[Cu](Br)([Br-])[Br-].[nH+]1cc(ccc1)Br.Brc1c[nH+]ccc1 |
| Title of publication | The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions |
| Authors of publication | Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2003 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | 301 |
| a | 6.501 ± 0.002 Å |
| b | 8.573 ± 0.003 Å |
| c | 16.192 ± 0.006 Å |
| α | 89.76 ± 0.07° |
| β | 89.67 ± 0.09° |
| γ | 78.7 ± 0.08° |
| Cell volume | 884.9 ± 0.6 Å3 |
| Cell temperature | 81 ± 2 K |
| Ambient diffraction temperature | 81 ± 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 | 0.0882 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179663 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16. |
4511659.cif |
| 120543 | 2014-07-18 | cif/ Adding structures of 4511657, 4511658, 4511659, 4511660, 4511661 via cif-deposit CGI script. |
4511659.cif |
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Users of the data should acknowledge the original authors of the
structural data.