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Information card for entry 2103832
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| Coordinates | 2103832.cif |
|---|---|
| Structure factors | 2103832.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2-Bis(4-pyridyl)ethane–maleic acid (1/2) |
|---|---|
| Formula | C20 H20 N2 O8 |
| Calculated formula | C20 H20 N2 O8 |
| SMILES | C(=O)(/C=C\C(=O)O)[O-].c1[nH+]ccc(c1)CCc1cc[nH+]cc1.C(=O)(/C=C\C(=O)O)[O-] |
| Title of publication | Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry |
| Authors of publication | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 1 |
| Pages of publication | 100 - 117 |
| a | 5.7958 ± 0.0003 Å |
| b | 9.4489 ± 0.0006 Å |
| c | 9.6031 ± 0.0007 Å |
| α | 86.787 ± 0.003° |
| β | 73.01 ± 0.003° |
| γ | 76.986 ± 0.003° |
| Cell volume | 490.01 ± 0.05 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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