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Information card for entry 8106385
Preview
| Coordinates | 8106385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 N4 O8 |
|---|---|
| Calculated formula | C30 H26 N4 O8 |
| Title of publication | Crystal structure of 4,4′-(1,4-phenylene)bis(1H-imidazol-3-ium)bis(2-carboxybenzoate), C30H26N4O8 |
| Authors of publication | Sheng, Liang-Quan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 1023 - 1024 |
| a | 6.6363 ± 0.0007 Å |
| b | 9.0231 ± 0.0009 Å |
| c | 22.082 ± 0.002 Å |
| α | 90° |
| β | 92.765 ± 0.002° |
| γ | 90° |
| Cell volume | 1320.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279860 (current) | 2022-12-13 | cif/ Adding structures of 8106385 via cif-deposit CGI script. |
8106385.cif |
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Users of the data should acknowledge the original authors of the
structural data.