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Information card for entry 8104732
Preview
| Coordinates | 8104732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H26 Cu2 N8 O27 |
|---|---|
| Calculated formula | C24 H26 Cu2 N8 O27 |
| Title of publication | Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ2 O,O′)copper(II) 1.5 hydrate, C12H13CuN4O13.5 |
| Authors of publication | Liu, Xiao-Jing; Li, Wen-Yu; Guo, Zi-Yu; Liu, E.; Jian, Fang-Fang; Liang, Tongling |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 851 - 853 |
| a | 4.7705 ± 0.0001 Å |
| b | 14.6219 ± 0.0005 Å |
| c | 14.7418 ± 0.0003 Å |
| α | 61.225 ± 0.003° |
| β | 85.342 ± 0.002° |
| γ | 83.938 ± 0.002° |
| Cell volume | 895.73 ± 0.05 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 170 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1323 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0546 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273609 (current) | 2022-03-10 | cif/ Adding structures of 8104732 via cif-deposit CGI script. |
8104732.cif |
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Users of the data should acknowledge the original authors of the
structural data.