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Information card for entry 7024004
Preview
| Coordinates | 7024004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H64 Cu4 N8 O20 |
|---|---|
| Calculated formula | C64 H64 Cu4 N8 O20 |
| SMILES | CCO.CCO.CCO.CCO.Oc1ccccc1C1=N[N]2=Cc3cccc4[OH][Cu]567OC(=N[N]5=Cc5cccc8[OH][Cu]9%10([OH]c%11cccc(C=[N]%10N=C(O9)c9ccccc9O)c%11O[Cu]9%10OC(=N[N]9=Cc9cccc%11[OH][Cu]2(O1)([O]%10c9%11)[O]7c34)c1ccccc1O)[O]6c58)c1ccccc1O |
| Title of publication | Tautomeric effect of hydrazone Schiff bases in tetranuclear Cu(ii) complexes: magnetism and catalytic activity towards mild hydrocarboxylation of alkanes. |
| Authors of publication | Sutradhar, Manas; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Pombeiro, Armando J. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 47 |
| Pages of publication | 16578 - 16587 |
| a | 21.5717 Å |
| b | 21.5717 Å |
| c | 13.1003 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6096.07 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024004.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7024004.cif |
| 91628 | 2013-12-13 | cif/ Adding structures of 7024004, 7024005 via cif-deposit CGI script. |
7024004.cif |
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