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Information card for entry 8102880
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| Coordinates | 8102880.cif |
|---|---|
| External links | PubChem |
| Chemical name | 2,2'-(1,2-ethanediyl)bis(1H-benzimidazole) benzene-1,3,5-tricarboxylic acid, C~34~H~26~N~4~O~12~ |
|---|---|
| Formula | C17 H13 N2 O6 |
| Calculated formula | C17 H13 N2 O6 |
| Title of publication | Crystal structure of 2,2'-(1,2-ethanediyl)bis(1H-benzimidazolium) bis(dihydrogen benzene-1,3,5-tricarboxylate), [C16H16N4][C9H5O6]2 |
| Authors of publication | Luan Jiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 4 |
| Pages of publication | 799 |
| a | 6.8562 ± 0.0014 Å |
| b | 8.4757 ± 0.0017 Å |
| c | 13.062 ± 0.003 Å |
| α | 88.845 ± 0.002° |
| β | 83.489 ± 0.002° |
| γ | 75.277 ± 0.002° |
| Cell volume | 729.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102880.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102880.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102880.cif |
| 13619 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102880 via cif-deposit CGI script. |
8102880.cif |
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