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Information card for entry 7003621
Preview
| Coordinates | 7003621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C90 H148 Fe9 O44 P3 |
|---|---|
| Calculated formula | C90 H148 Fe9 O44 P3 |
| Title of publication | Cleavage of P–S bonds and oxygenation by a trinuclear iron carboxylate: Synthesis and structures of iron clusters containing group 15/16 anions |
| Authors of publication | Mitkina, Tatiana V.; Lan, Yanhua; Mereacre, Valeriu; Shi, Weifeng; Powell, Annie K.; Rothenberger, Alexander |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 9 |
| Pages of publication | 1136 - 1139 |
| a | 15.606 ± 0.003 Å |
| b | 28.593 ± 0.006 Å |
| c | 26.961 ± 0.005 Å |
| α | 90° |
| β | 90.34 ± 0.03° |
| γ | 90° |
| Cell volume | 12030 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1874 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1661 |
| Weighted residual factors for all reflections included in the refinement | 0.2093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7003621.cif |
| 179740 | 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 7/00/36. |
7003621.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003621.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003621.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003621.cif |
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Users of the data should acknowledge the original authors of the
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