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Information card for entry 7011530
Preview
| Coordinates | 7011530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H68 Cu4 N22 O33 |
|---|---|
| Calculated formula | C52 H68 Cu4 N22 O33 |
| Title of publication | A homoleptic, self-assembled [2 × 2] square Cu4 complex exhibiting intramolecular ferromagnetic exchange |
| Authors of publication | Xu, Zhiqiang; Thompson, Laurence K.; Miller, David O. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 12 |
| Pages of publication | 2462 |
| a | 13.7944 ± 0.0007 Å |
| b | 13.7944 ± 0.0007 Å |
| c | 40.546 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7715.3 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.1539 |
| Residual factor for significantly intense reflections | 0.0899 |
| Weighted residual factors for significantly intense reflections | 0.2079 |
| Weighted residual factors for all reflections included in the refinement | 0.2435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
7011530.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011530.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. |
7011530.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011530.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011530.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011530.cif |
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Users of the data should acknowledge the original authors of the
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