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Information card for entry 7010932
Preview
| Coordinates | 7010932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H34 Fe N2 O17.5 |
|---|---|
| Calculated formula | C12 H34 Fe N2 O17.5 |
| Title of publication | Utilization of crown ethers to stabilize the dinuclear μ-oxo bridged iron(III) aqua ion, [(H2O)5Fe(μ-O)Fe(OH2)5]4+ |
| Authors of publication | Peter C. Junk; Brian J. McCool; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia; John D. Cashion; Jonathan W. Steed |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 6 |
| Pages of publication | 1024 - 1029 |
| a | 22.863 ± 0.005 Å |
| b | 10.993 ± 0.002 Å |
| c | 20.758 ± 0.004 Å |
| α | 90° |
| β | 111.02 ± 0.03° |
| γ | 90° |
| Cell volume | 4870 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1855 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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. |
7010932.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. |
7010932.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010932.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010932.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010932.cif |
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Users of the data should acknowledge the original authors of the
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