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Information card for entry 7011845
Preview
| Coordinates | 7011845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H112 Cl6 Fe6 N2 O28 |
|---|---|
| Calculated formula | C66 H94 Cl6 Fe6 N2 O28 |
| Title of publication | Two new hexanuclear iron(III) complexes with S = 5 ground states |
| Authors of publication | Cristina Cañada-Vilalta; Evan Rumberger; Euan K. Brechin; Wolfgang Wernsdorfer; Kirsten Folting; Ernest R. Davidson; David N. Hendrickson; George Christou |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 21 |
| Pages of publication | 4005 - 4010 |
| a | 13.968 ± 0.002 Å |
| b | 14.434 ± 0.002 Å |
| c | 13.567 ± 0.002 Å |
| α | 113.656 ± 0.008° |
| β | 112.117 ± 0.008° |
| γ | 87.55 ± 0.009° |
| Cell volume | 2302.1 ± 0.6 Å3 |
| Cell temperature | 112 K |
| Ambient diffraction temperature | 112 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections included in the refinement | 0.0471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1253 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295836 (current) | 2024-11-08 | Corrected misspelt versions of the _atom_sites_solution_hydrogens data name in entries 1571002, 1572359, 5000330, 5000343, 5000348, 7011845. |
7011845.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011845.cif |
| 179822 | 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 7/01/18. |
7011845.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011845.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011845.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011845.cif |
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