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Information card for entry 7031863
Preview
| Coordinates | 7031863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Cl4 Cu2 N4 O2 |
|---|---|
| Calculated formula | C28 H34 Cl4 Cu2 N4 O2 |
| SMILES | c12c[n]3c(c4cc5c(c[n]4[Cu]3(Cl)(Cl)[OH2])[C@H]3C[C@@H](C5)C3(C)C)c[n]2[Cu](Cl)(Cl)([n]2c1cc1c(c2)[C@H]2C[C@@H](C1)C2(C)C)[OH2] |
| Title of publication | Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling. |
| Authors of publication | Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 17226 - 17229 |
| a | 5.7686 ± 0.0005 Å |
| b | 7.0486 ± 0.0005 Å |
| c | 19.2564 ± 0.0016 Å |
| α | 90.725 ± 0.006° |
| β | 93.641 ± 0.007° |
| γ | 105.836 ± 0.007° |
| Cell volume | 751.37 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0885 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180024 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18. |
7031863.cif |
| 128369 | 2014-12-06 | cif/ Updating files of 7031862, 7031863, 7031864, 7031865 Original log message: Adding full bibliography for 7031862--7031865.cif. |
7031863.cif |
| 126405 | 2014-11-06 | cif/ Updating files of 7031862, 7031863, 7031864, 7031865 Original log message: Adding full bibliography for 7031862--7031865.cif. |
7031863.cif |
| 121114 | 2014-08-05 | cif/ Adding structures of 7031862, 7031863, 7031864, 7031865 via cif-deposit CGI script. |
7031863.cif |
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