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Information card for entry 8100366
Preview
| Coordinates | 8100366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexamethanolo-iron diiodide |
|---|---|
| Formula | C6 H24 Fe I2 O6 |
| Calculated formula | C6 H24 Fe I2 O6 |
| SMILES | [Fe]([OH]C)([OH]C)([OH]C)([OH]C)([OH]C)([OH]C).[I-].[I-] |
| Title of publication | Crystal Structure of Hexamethanolo-iron diiodide, Fe(HOCH~3~)~6~I~2~ |
| Authors of publication | Harms, Klaus; Biesemeier, Frank; Müller, Ulrich |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2003 |
| Journal volume | 218 |
| Journal issue | 2 |
| Pages of publication | 164 - 164 |
| a | 8.2947 ± 0.0008 Å |
| b | 8.2947 ± 0.0008 Å |
| c | 7.0884 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 422.36 ± 0.09 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177139 (current) | 2016-03-03 | cif/8/10/ (antanas@kurmis) Adding additional information from the original CIF file and updting the bibliography for entry 8100366. |
8100366.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8100366.cif |
| 105732 | 2014-03-12 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100366.cif |
| 100883 | 2014-02-08 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one. |
8100366.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100366.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8100366.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8100366.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100366.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8100366.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8100366.cif |
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Users of the data should acknowledge the original authors of the
structural data.