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Information card for entry 8105834
Preview
| Coordinates | 8105834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 Br Co N9 O5 |
|---|---|
| Calculated formula | C26 H23 Br Co N9 O5 |
| Title of publication | Crystal structure of poly[bis(μ2-4-bromoisophthalate-κ2 O:O′)-tris(μ2-1-(3-((1H-1,2,4-triazol-1-yl)methyl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)dicobalt(II)] monohydrate, C26H23CoN9O5Br |
| Authors of publication | Sun, Tao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 733 - 735 |
| a | 8.3522 ± 0.001 Å |
| b | 13.6076 ± 0.0016 Å |
| c | 14.1628 ± 0.0017 Å |
| α | 64.664 ± 0.001° |
| β | 76.13 ± 0.001° |
| γ | 79.045 ± 0.001° |
| Cell volume | 1405.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0272 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278077 (current) | 2022-09-22 | cif/ Adding structures of 8105834 via cif-deposit CGI script. |
8105834.cif |
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Users of the data should acknowledge the original authors of the
structural data.