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Information card for entry 2015355
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Coordinates | 2015355.cif |
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Original IUCr paper | HTML |
Chemical name | 2,2-(propane-1,3-diyl)bis(1,1,3,3-tetramethylguanidinium) bis(trifluoromethanesulfonate) |
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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 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.1146 |
Weighted residual factors for all reflections included in the refinement | 0.1206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2015355.html
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