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Information card for entry 2236680
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| Coordinates | 2236680.cif |
|---|---|
| Structure factors | 2236680.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrabutylammonium tetrakis(trimethylsilanolato-κ<i>O</i>)ferrate(III) |
|---|---|
| Formula | C28 H72 Fe N O4 Si4 |
| Calculated formula | C28 H72 Fe N O4 Si4 |
| SMILES | [Fe](O[Si](C)(C)C)(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Tetrabutylammonium tetrakis(trimethylsilanolato-κ<i>O</i>)ferrate(III) |
| Authors of publication | Hay, Michael; Staples, Richard; Lee, Andre |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | m1186 |
| a | 10.4952 ± 0.0005 Å |
| b | 10.5143 ± 0.0005 Å |
| c | 19.3506 ± 0.0009 Å |
| α | 82.722 ± 0.001° |
| β | 82.834 ± 0.001° |
| γ | 81.658 ± 0.001° |
| Cell volume | 2083.37 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/66. |
2236680.cif 2236680.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236680.cif 2236680.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236680.cif 2236680.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236680.cif 2236680.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236680.cif 2236680.hkl |
| 70280 | 2012-12-21 | cif/ Adding structures of 2236680 via cif-deposit CGI script. |
2236680.cif |
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Users of the data should acknowledge the original authors of the
structural data.