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Information card for entry 8107021
Preview
| Coordinates | 8107021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 N6 O9 |
|---|---|
| Calculated formula | C18 H20 N6 O9 |
| Title of publication | Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), C18H20N6O9 |
| Authors of publication | Wu, Xiangxiang; Liu, Xianghua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 833 - 834 |
| a | 7.0287 ± 0.0013 Å |
| b | 10.1881 ± 0.002 Å |
| c | 15.3494 ± 0.0029 Å |
| α | 86.513 ± 0.003° |
| β | 88.854 ± 0.003° |
| γ | 75.047 ± 0.003° |
| Cell volume | 1060 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282375 (current) | 2023-04-05 | cif/ Adding structures of 8107021 via cif-deposit CGI script. |
8107021.cif |
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Users of the data should acknowledge the original authors of the
structural data.