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CIF Information Card
Information card for 7101628
7101627 << 7101628 >> 7101629Preview
|
Coordinates |
7101628.cif |
Structure parameters
| Common name | 1,3,5 benzene tricarboxylic acid acetic acid solvate |
| Chemical name | 1,3,5 benzene tricarboxylic acid acetic acid solvate |
| Formula | - C29 H22 O20 - |
| Calculated formula | - C6.66667 H2 O4.66667 - |
| Title of publication | Disruption of the hexagonal networks of trimesic acid (benzene-1,3,5-tricarboxylic acid, TMA) by acetic acid. |
| Authors of publication | Goldberg, Ilana; Bernstein, Joel |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2006 |
| Journal issue | 2 |
| Pages of publication | 132 - 134 |
| a | 15.626 ± 0.003 Å |
| b | 16.476 ± 0.003 Å |
| c | 16.562 ± 0.003 Å |
| α | 118.31 ± 0.03° |
| β | 117.91 ± 0.03° |
| γ | 91.61 ± 0.03° |
| Cell volume | 3141.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.2786 |
| Residual factor for observed reflections | 0.077 |
| Weighted residual factors for the observed reflections | 0.1971 |
| Weighted residual factors for all reflections included in the refinement | 0.3063 |
| Goodness-of-fit parameter for observed reflections | 0.878 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |