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Information card for entry 2012167
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| Coordinates | 2012167.cif |
|---|---|
| Structure factors | 2012167.hkl |
| Original IUCr paper | HTML |
| Common name | MEM(TCNQ)2 |
|---|---|
| Chemical name | 1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane |
| Formula | C31 H24 N9 O |
| Calculated formula | C31 H24 N9 O |
| Title of publication | MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition |
| Authors of publication | Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | 991 - 993 |
| a | 7.803 ± 0.001 Å |
| b | 15.353 ± 0.002 Å |
| c | 6.985 ± 0.001 Å |
| α | 112.3 ± 0.01° |
| β | 74.44 ± 0.01° |
| γ | 111.84 ± 0.01° |
| Cell volume | 710.73 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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