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Information card for entry 8107237
Preview
| Coordinates | 8107237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetraaquabis[4-(1H-1,2,4-triazol-1-yl)benzoato]-cadmium |
|---|---|
| Formula | C18 H20 Cd N6 O8 |
| Calculated formula | C18 H20 Cd N6 O8 |
| Title of publication | Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-k1 N]cadmium(II), C18H20CdN6O8 |
| Authors of publication | Feng, Yi-Min; Xia, Yu-Pei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 865 - 866 |
| a | 6.1132 ± 0.0007 Å |
| b | 7.127 ± 0.0009 Å |
| c | 12.311 ± 0.0013 Å |
| α | 80.701 ± 0.001° |
| β | 88.137 ± 0.002° |
| γ | 73.653 ± 0.001° |
| Cell volume | 507.88 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283930 (current) | 2023-05-22 | cif/ Adding structures of 8107237 via cif-deposit CGI script. |
8107237.cif |
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Users of the data should acknowledge the original authors of the
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