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Information card for entry 7218606
Preview
| Coordinates | 7218606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H28 Cu2 N8 O12 |
|---|---|
| Calculated formula | C48 H28 Cu2 N8 O12 |
| SMILES | c1ccc2c(n1=O)c1c(cccn1=O)C(=O)O[Cu]1([n]3cccc4ccc5c([n]1ccc5)c34)OC(=O)c1cccn(c1c1c(cccn1=O)C(=O)O[Cu]1([n]3c4c5[n]1cccc5ccc4ccc3)OC2=O)=O |
| Title of publication | Reaction-controlled assemblies and structural diversities of seven Co(ii)/Cu(ii) complexes based on a bipyridine-dicarboxylate N-oxide ligand |
| Authors of publication | Li, Quan-Quan; Kang, Yi-Fan; Ren, Chun-Yan; Yang, Guo-Ping; Liu, Qing Liu, Ping; Wang, Yao-Yu |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 775 |
| a | 9.3276 ± 0.001 Å |
| b | 11.9664 ± 0.0013 Å |
| c | 19.099 ± 0.002 Å |
| α | 90° |
| β | 92.947 ± 0.002° |
| γ | 90° |
| Cell volume | 2129 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180517 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86. |
7218606.cif |
| 133132 | 2015-03-06 | cif/ Updating files of 7218604, 7218605, 7218606, 7218607, 7218608 Original log message: Adding full bibliography for 7218604--7218608.cif. |
7218606.cif |
| 126071 | 2014-10-31 | cif/ Adding structures of 7218604, 7218605, 7218606, 7218607, 7218608 via cif-deposit CGI script. |
7218606.cif |
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