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Information card for entry 8106818
Preview
| Coordinates | 8106818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 Cu N8 O6 |
|---|---|
| Calculated formula | C28 H22 Cu N8 O6 |
| Title of publication | Crystal structure of catena-poly[bis(μ 2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ 2 N:O)copper(II)] dihydrate, C28H22N8O6Cu |
| Authors of publication | Zhao, Yan; Zhu, Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 179 - 181 |
| a | 6.826 ± 0.005 Å |
| b | 9.04 ± 0.007 Å |
| c | 10.93 ± 0.008 Å |
| α | 101.068 ± 0.008° |
| β | 95.054 ± 0.008° |
| γ | 96.278 ± 0.008° |
| Cell volume | 653.8 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281250 (current) | 2023-03-02 | cif/ Adding structures of 8106818 via cif-deposit CGI script. |
8106818.cif |
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Users of the data should acknowledge the original authors of the
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