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Information card for entry 8104748
Preview
| Coordinates | 8104748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cd N4 O9 |
|---|---|
| Calculated formula | C18 H14 Cd N4 O9 |
| Title of publication | Crystal structure of catena-poly[aquabis(3-nitrobenzoato-κ2 O:O′)-(μ 2-pyrazine-N: N′)cadmium(II)], C18H14N4O9Cd |
| Authors of publication | Chang, Si-Yuan; Li, Bing-Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 495 - 497 |
| a | 22.39 ± 0.004 Å |
| b | 6.2758 ± 0.0013 Å |
| c | 14.962 ± 0.003 Å |
| α | 90° |
| β | 104.15 ± 0.03° |
| γ | 90° |
| Cell volume | 2038.6 ± 0.7 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273659 (current) | 2022-03-11 | cif/ Adding structures of 8104748 via cif-deposit CGI script. |
8104748.cif |
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Users of the data should acknowledge the original authors of the
structural data.