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Information card for entry 7031864
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| Coordinates | 7031864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H142 Cu4 N24 O35 |
|---|---|
| Calculated formula | C112 H142 Cu4 N24 O35 |
| 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 | 13.8636 ± 0.0009 Å |
| b | 13.8636 ± 0.0009 Å |
| c | 34.6936 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6668.1 ± 0.7 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7031864.cif |
| 128369 | 2014-12-06 | cif/ Updating files of 7031862, 7031863, 7031864, 7031865 Original log message: Adding full bibliography for 7031862--7031865.cif. |
7031864.cif |
| 126405 | 2014-11-06 | cif/ Updating files of 7031862, 7031863, 7031864, 7031865 Original log message: Adding full bibliography for 7031862--7031865.cif. |
7031864.cif |
| 121114 | 2014-08-05 | cif/ Adding structures of 7031862, 7031863, 7031864, 7031865 via cif-deposit CGI script. |
7031864.cif |
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