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Information card for entry 7712168
Preview
| Coordinates | 7712168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 Cu N5 O6 |
|---|---|
| Calculated formula | C16 H17 Cu N5 O6 |
| Title of publication | Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses. |
| Authors of publication | Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 2440 - 2447 |
| a | 10.4167 ± 0.0009 Å |
| b | 9.0382 ± 0.0008 Å |
| c | 19.3517 ± 0.0016 Å |
| α | 90° |
| β | 105.274 ± 0.001° |
| γ | 90° |
| Cell volume | 1757.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283237 (current) | 2023-05-05 | cif/ Updating files of 7712168, 7712169, 7712170, 7712171 Original log message: Adding full bibliography for 7712168--7712171.cif. |
7712168.cif |
| 280448 | 2023-01-20 | cif/ Adding structures of 7712168, 7712169, 7712170, 7712171 via cif-deposit CGI script. |
7712168.cif |
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Users of the data should acknowledge the original authors of the
structural data.