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Information card for entry 7031745
Preview
| Coordinates | 7031745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H54 Cl8 Cu2 N6 O10 |
|---|---|
| Calculated formula | C50 H54 Cl8 Cu2 N6 O10 |
| SMILES | c12c(cc(cc2Cl)Cl)[C@@H]2[N]34[Cu]([n]5ccn(c5)CCC[N]56[C@H]7c8c(c(cc(c8)Cl)Cl)O[Cu]6([n]6cn(cc6)CCC4)Oc4c(cc(cc4Cl)Cl)[C@@H]5CC(OC)(OC)C7)(O1)Oc1c(cc(cc1Cl)Cl)[C@@H]3CC(OC)(OC)C2.O.O |
| Title of publication | Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative. |
| Authors of publication | Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13831 - 13834 |
| a | 8.722 ± 0.007 Å |
| b | 18.004 ± 0.013 Å |
| c | 18.378 ± 0.014 Å |
| α | 90° |
| β | 99.404 ± 0.01° |
| γ | 90° |
| Cell volume | 2847 ± 4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1325 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031745.cif |
| 180023 | 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 7/03/17. |
7031745.cif |
| 123481 | 2014-09-08 | cif/ Updating files of 7031743, 7031744, 7031745 Original log message: Adding full bibliography for 7031743--7031745.cif. |
7031745.cif |
| 120771 | 2014-07-25 | cif/ Adding structures of 7031743, 7031744, 7031745 via cif-deposit CGI script. |
7031745.cif |
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