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Information card for entry 8104689
Preview
| Coordinates | 8104689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 Co N4 O8 |
|---|---|
| Calculated formula | C22 H22 Co N4 O8 |
| Title of publication | Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2 N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2] |
| Authors of publication | Wang, Jing; Luo, Jiahuan; Zhai, Shengxian; Yongsheng, Niu; Tian, Dayong; Zhang, Chuanxiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 717 - 718 |
| a | 8.7117 ± 0.0005 Å |
| b | 8.7935 ± 0.0005 Å |
| c | 15.0791 ± 0.0009 Å |
| α | 90° |
| β | 103.557 ± 0.001° |
| γ | 90° |
| Cell volume | 1122.97 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273532 (current) | 2022-03-08 | cif/ Adding structures of 8104689 via cif-deposit CGI script. |
8104689.cif |
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Users of the data should acknowledge the original authors of the
structural data.