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CIF Information Card
Information card for 2015355
2015354 << 2015355 >> 2015356Preview
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Coordinates |
2015355.cif |
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Original IUCr paper |
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Structure parameters
| Chemical name | 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) bis(trifluoromethanesulfonate) |
| Formula | - C15 H32 F6 N6 O6 S2 - |
| Calculated formula | - C15 H32 F6 N6 O6 S2 - |
| 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 | 8.8771 ± 0.0007 Å |
| b | 12.3802 ± 0.001 Å |
| c | 12.5704 ± 0.001 Å |
| α | 108.939 ± 0.002° |
| β | 91.478 ± 0.002° |
| γ | 97.775 ± 0.002° |
| Cell volume | 1291.1 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Residual factor for all reflections | 0.0535 |
| Residual factor for observed reflections | 0.0456 |
| Weighted residual factors for the observed reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for observed reflections | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |