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CIF Information Card
Information card for 2015237
2015236 << 2015237 >> 2015238Preview
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Coordinates |
2015237.cif |
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Structure factors |
2015237.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 4,4'-bipyridinium bis(2,4,5-tricarboxylbenzoate) |
| Formula | - C30 H20 N2 O16 - |
| Calculated formula | - C30 H20 N2 O16 - |
| Title of publication | Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine |
| Authors of publication | Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o157 - o161 |
| a | 12.009 ± 0.001 Å |
| b | 15.484 ± 0.001 Å |
| c | 15.221 ± 0.001 Å |
| α | 90° |
| β | 112.273 ± 0.003° |
| γ | 90° |
| Cell volume | 2619.2 ± 0.3 Å3 |
| Cell temperature | 20 ± 2 K |
| Ambient diffraction temperature | 20 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 c 1 |
| Hall symmetry space group | C -2yc |
| Residual factor for all reflections | 0.0221 |
| Residual factor for observed reflections | 0.0217 |
| Weighted residual factors for the observed reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for observed reflections | 1.116 |
| Diffraction radiation wavelength | 1.3108 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |