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Information card for entry 1561123
Preview
| Coordinates | 1561123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H8 Mn N6 O6 |
|---|---|
| Calculated formula | C6 H8 Mn N6 O6 |
| SMILES | C1(=O)c2n[nH]c[n]2[Mn]2([OH2])([n]3c(C(=O)O2)n[nH]c3)(O1)[OH2] |
| Title of publication | Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties |
| Authors of publication | Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 262 |
| Pages of publication | 351 - 359 |
| a | 9.177 ± 0.0018 Å |
| b | 8.775 ± 0.0018 Å |
| c | 6.855 ± 0.0014 Å |
| α | 90° |
| β | 93.13 ± 0.03° |
| γ | 90° |
| Cell volume | 551.2 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1308 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.72 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263121 (current) | 2021-03-18 | cif/ Adding structures of 1561123 via cif-deposit CGI script. |
1561123.cif |
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Users of the data should acknowledge the original authors of the
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