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Information card for entry 2012039
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| Coordinates | 2012039.cif |
|---|---|
| Structure factors | 2012039.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-pyrrolidine-N:N)bis(dibromoboron) |
|---|---|
| Formula | C8 H16 B2 Br4 N2 |
| Calculated formula | C8 H16 B2 Br4 N2 |
| SMILES | Br[B-]1(Br)[N+]2([B-](Br)(Br)[N+]31CCCC3)CCCC2 |
| Title of publication | Bis(μ-pyrrolidine-<i>N</i>:<i>N</i>)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~] |
| Authors of publication | Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 770 - 771 |
| a | 12.875 ± 0.0002 Å |
| b | 6.996 ± 0.0001 Å |
| c | 16.448 ± 0.0003 Å |
| α | 90° |
| β | 111.223 ± 0.0008° |
| γ | 90° |
| Cell volume | 1381.05 ± 0.04 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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