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Information card for entry 8106240
Preview
| Coordinates | 8106240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O10 |
|---|---|
| Calculated formula | C18 H16 N2 O10 |
| Title of publication | Synthesis and crystal structure of 6-carboxy-1-(3,5-dicarboxyphenyl)-1H-benzo[d]imidazol-3-ium-5-carboxylate dihydrate, C18H12N2O8 |
| Authors of publication | Yun, Meng; Dong, Xiu-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 633 - 634 |
| a | 8.4592 ± 0.001 Å |
| b | 9.8442 ± 0.0011 Å |
| c | 11.2565 ± 0.0012 Å |
| α | 66.892 ± 0.003° |
| β | 86.069 ± 0.003° |
| γ | 81.658 ± 0.004° |
| Cell volume | 852.97 ± 0.17 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 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 | 0.0938 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279538 (current) | 2022-11-24 | cif/ Adding structures of 8106240 via cif-deposit CGI script. |
8106240.cif |
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Users of the data should acknowledge the original authors of the
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