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Information card for entry 7218607
Preview
| Coordinates | 7218607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H48 Cu2 N8 O22 |
|---|---|
| Calculated formula | C48 H48 Cu2 N8 O22 |
| SMILES | C1(=O)O[Cu]2([n]3cccc4ccc5c([n]2ccc5)c34)([OH2])OC(=O)c2c(c3c(C(=O)O[Cu]4([n]5cccc6ccc7c([n]4ccc7)c56)(OC(=O)c4c(c5c1cccn5=O)n(=O)ccc4)[OH2])cccn3=O)n(ccc2)=O.O.O.O.O.O.O.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 | 9.213 ± 0.002 Å |
| b | 12.19 ± 0.003 Å |
| c | 12.635 ± 0.003 Å |
| α | 109.362 ± 0.004° |
| β | 109.077 ± 0.004° |
| γ | 91.212 ± 0.004° |
| Cell volume | 1251.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218607.cif |
| 180517 | 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. |
7218607.cif |
| 133132 | 2015-03-06 | cif/ Updating files of 7218604, 7218605, 7218606, 7218607, 7218608 Original log message: Adding full bibliography for 7218604--7218608.cif. |
7218607.cif |
| 126071 | 2014-10-31 | cif/ Adding structures of 7218604, 7218605, 7218606, 7218607, 7218608 via cif-deposit CGI script. |
7218607.cif |
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