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CIF Information Card
Information card for 2015353
2015352 << 2015353 >> 2015354Preview
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Coordinates |
2015353.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) tetraphenylborate chloride |
| Formula | - C37 H52 B Cl N6 - |
| Calculated formula | - C37 H52 B Cl 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 | 17.577 ± 0.0008 Å |
| b | 9.3797 ± 0.0004 Å |
| c | 22.4953 ± 0.001 Å |
| α | 90° |
| β | 107.034 ± 0.001° |
| γ | 90° |
| Cell volume | 3546 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1231 |
| Residual factor for observed reflections | 0.0439 |
| Weighted residual factors for the observed reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for observed reflections | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |