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Information card for entry 7708871
Preview
| Coordinates | 7708871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca2 H2 Ni O12 Se4 |
|---|---|
| Calculated formula | Ca2 H2 Ni O12 Se4 |
| Title of publication | Synthesis, structure and magnetic properties of two new spin-chain compounds Ca2Ni(HSeO3)2(SeO3)2 and Na2Cu(SeO3)2·2H2O |
| Authors of publication | Huang, Xing; Zhao, Zhiying; Wang, Yanqi; Zhang, Mengsi; He, Zhangzhen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 5.2858 ± 0.0002 Å |
| b | 7.0398 ± 0.0002 Å |
| c | 8.418 ± 0.0003 Å |
| α | 110.413 ± 0.003° |
| β | 105.027 ± 0.003° |
| γ | 91.786 ± 0.002° |
| Cell volume | 280.962 ± 0.018 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0281 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| 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 |
|---|---|---|---|
| 270753 (current) | 2021-11-19 | cif/ Adding structures of 7708871 via cif-deposit CGI script. |
7708871.cif |
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Users of the data should acknowledge the original authors of the
structural data.