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Information card for entry 2102027
Preview
| Coordinates | 2102027.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Benzeme-1,2,4,5-tetracarboxylic acid–hexamethylenetetramine (1/2) |
|---|---|
| Formula | C22 H30 N8 O8 |
| Calculated formula | C22 H30 N8 O8 |
| Title of publication | Hydrogen-bonding behaviour of benzene-1,2,4,5-tetracarboxylic acid: supramolecular structures of different dimensionality in the 2:1 adducts formed with 4,4'-bipyridyl and hexamethylenetetramine |
| Authors of publication | Lough, Alan J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 261 - 272 |
| a | 9.7029 ± 0.0006 Å |
| b | 10.9369 ± 0.0007 Å |
| c | 16.7647 ± 0.0011 Å |
| α | 84.271 ± 0.003° |
| β | 79.399 ± 0.003° |
| γ | 75.264 ± 0.003° |
| Cell volume | 1688.55 ± 0.19 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1262 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.839 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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