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CIF Information Card
Information card for 2015352
2015351 << 2015352 >> 2015353Preview
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Coordinates |
2015352.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) dibromide |
| Formula | - C13 H32 Br2 N6 - |
| Calculated formula | - C13 H32 Br2 N6 - |
| Title of publication | The diprotonated 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) cation: packing and conformational changes |
| Authors of publication | Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | m234 - m237 |
| a | 12.4256 ± 0.0014 Å |
| b | 12.5254 ± 0.0015 Å |
| c | 12.6935 ± 0.0015 Å |
| α | 79.465 ± 0.003° |
| β | 89.731 ± 0.003° |
| γ | 89.361 ± 0.002° |
| Cell volume | 1942.1 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Residual factor for all reflections | 0.0942 |
| Residual factor for observed reflections | 0.0578 |
| Weighted residual factors for the observed reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for observed reflections | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |