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Information card for entry 2000576
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| Coordinates | 2000576.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,3-bis-[triphenylphosphonio]-propadien-bis-[trifluormethanesulfonate] |
|---|---|
| Formula | C41 H32 F6 O6 P2 S2 |
| Calculated formula | C41 H32 F6 O6 P2 S2 |
| Title of publication | Structure of the allene C~39~H~32~P~2~^2+^.2CF~3~O~3~S^{-^} |
| Authors of publication | Bram, A.; Burzlaff, H.; Hadawi, D.; Bestmann, H.-J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 10 |
| Pages of publication | 1904 - 1906 |
| a | 19.9686 ± 0.0007 Å |
| b | 16.733 ± 0.0006 Å |
| c | 11.8636 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3964 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e 2 a |
| Hall space group symbol | A -2ab -2ab |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.027 |
| Goodness-of-fit parameter for significantly intense reflections | 2.66 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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