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Information card for entry 8106608
Preview
| Coordinates | 8106608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Cu N6 O7 |
|---|---|
| Calculated formula | C18 H18 Cu N6 O7 |
| Title of publication | Crystal structure of catena-poly{diaqua-bis(3-(1H-1,2,4-triazol-1-yl)benzoato-κ2 O:N)copper(II)} monohydrate, C18H18CuN6O7 |
| Authors of publication | Wang, Jian-Ge |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 579 - 580 |
| a | 12.3765 ± 0.0007 Å |
| b | 12.7299 ± 0.0008 Å |
| c | 12.5812 ± 0.0007 Å |
| α | 90° |
| β | 91.024 ± 0.006° |
| γ | 90° |
| Cell volume | 1981.9 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280649 (current) | 2023-01-28 | cif/ Adding structures of 8106608 via cif-deposit CGI script. |
8106608.cif |
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