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Information card for entry 8106061
Preview
| Coordinates | 8106061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H7 Na O7 |
|---|---|
| Calculated formula | C9 H7 Na O7 |
| Title of publication | Crystal structure of poly[aqua-(μ5-2,5-dicarboxybenzoato-κ5 O:O:O′:O′′:O′′′)sodium(I)], C9H7NaO7 |
| Authors of publication | Nie, Cong-Kui; Zhao, Dan; Tian, Ye |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 1 |
| Pages of publication | 103 - 104 |
| a | 7.0533 ± 0.0007 Å |
| b | 7.1238 ± 0.0007 Å |
| c | 10.5664 ± 0.001 Å |
| α | 87.466 ± 0.001° |
| β | 83.003 ± 0.001° |
| γ | 66.69 ± 0.001° |
| Cell volume | 483.95 ± 0.08 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 | 0.0518 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279201 (current) | 2022-11-10 | cif/ Adding structures of 8106061 via cif-deposit CGI script. |
8106061.cif |
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Users of the data should acknowledge the original authors of the
structural data.