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Information card for entry 7011533
Preview
| Coordinates | 7011533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H40 Cu3 F6 N10 O16 S2 |
|---|---|
| Calculated formula | C72 H40 Cu3 F6 N10 O16 S2 |
| SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14([O]2C3=C(O[Cu]452([n]2cccc6ccc7ccc[n]4c7c26)[O](C2=C(O5)C(=O)C(=O)C2=O)[Cu]24([n]5cccc6ccc7ccc[n]2c7c56)[n]2cccc5ccc6ccc[n]4c6c25)C(=O)C(=O)C3=O)[n]2cccc3ccc4ccc[n]1c4c23.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | Syntheses, crystal structures and magnetic properties of di- and trinuclear croconato-bridged copper(ii) complexes |
| Authors of publication | Castro, Isabel; Calatayud, María Luisa; Lloret, Francesc; Sletten, Jorunn; Julve, Miguel |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 11 |
| Pages of publication | 2397 |
| a | 28.2425 ± 0.0006 Å |
| b | 10.9029 ± 0.0005 Å |
| c | 21.8194 ± 0.0009 Å |
| α | 90° |
| β | 102.604 ± 0.002° |
| γ | 90° |
| Cell volume | 6556.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2315 |
| Residual factor for significantly intense reflections | 0.0873 |
| Weighted residual factors for significantly intense reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.1934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7011533.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011533.cif |
| 179819 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15. |
7011533.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011533.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011533.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011533.cif |
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