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Information card for entry 7008189
Preview
| Coordinates | 7008189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H64 Cu2 O10 |
|---|---|
| Calculated formula | C48 H64 Cu2 O10 |
| SMILES | CC(C1=CC2=[O][Cu]3(O1)([O]1CCCC1)[O]=C(c1cccc(C4=CC(C(C)(C)C)=[O][Cu]5(O4)([O]=C(c4cccc2c4)C=C(O5)C(C)(C)C)[O]2CCCC2)c1)C=C(O3)C(C)(C)C)(C)C |
| Title of publication | Dinuclear bis-beta-diketonato ligand derivatives of iron(III) and copper(II) and use of the latter as components for the assembly of extended metallo-supramolecular structures. |
| Authors of publication | Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.; Schilter, David |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 5 |
| Pages of publication | 857 - 864 |
| a | 7.0109 ± 0.0007 Å |
| b | 10.5767 ± 0.0011 Å |
| c | 16.5539 ± 0.0017 Å |
| α | 95.966 ± 0.002° |
| β | 95.216 ± 0.002° |
| γ | 104.527 ± 0.002° |
| Cell volume | 1173.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| 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 |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7008189.cif |
| 179785 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/81. |
7008189.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008189.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008189.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008189.cif |
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