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Information card for entry 7031862
Preview
| Coordinates | 7031862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Cl4 Cu2 N4 O2 |
|---|---|
| Calculated formula | C28 H34 Cl4 Cu2 N4 O2 |
| SMILES | c12c3cc4c(c[n]3[Cu](Cl)(Cl)([n]2cc2c3cc5c(c[n]3[Cu](Cl)(Cl)([n]2c1)[OH2])[C@@H]1C[C@H](C5)C1(C)C)[OH2])[C@@H]1C[C@H](C4)C1(C)C |
| 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 | 5.7707 ± 0.0002 Å |
| b | 7.0509 ± 0.0003 Å |
| c | 19.2841 ± 0.0008 Å |
| α | 90.775 ± 0.003° |
| β | 93.694 ± 0.003° |
| γ | 105.743 ± 0.003° |
| Cell volume | 753.25 ± 0.05 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 | 0.044 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0377 |
| Weighted residual factors for all reflections included in the refinement | 0.0387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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. |
7031862.cif |
| 128369 | 2014-12-06 | cif/ Updating files of 7031862, 7031863, 7031864, 7031865 Original log message: Adding full bibliography for 7031862--7031865.cif. |
7031862.cif |
| 126405 | 2014-11-06 | cif/ Updating files of 7031862, 7031863, 7031864, 7031865 Original log message: Adding full bibliography for 7031862--7031865.cif. |
7031862.cif |
| 121114 | 2014-08-05 | cif/ Adding structures of 7031862, 7031863, 7031864, 7031865 via cif-deposit CGI script. |
7031862.cif |
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