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Information card for entry 7009581
Preview
| Coordinates | 7009581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Etheidi Chloride Crust |
|---|---|
| Formula | C80 H255 Cl Fe19 N10 O130.5 |
| Calculated formula | C80 H134 Cl Fe19 N10 O130.5 |
| Title of publication | Towards nanostructured arrays of single molecule magnets: new Fe19 oxyhydroxide clusters displaying high ground state spins and hysteresis † |
| Authors of publication | Goodwin, Jeremy C.; Sessoli, Roberta; Gatteschi, Dante; Wernsdorfer, Wolfgang; Powell, Annie K.; Heath, Sarah L. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 12 |
| Pages of publication | 1835 |
| a | 13.4249 ± 0.0014 Å |
| b | 18.7748 ± 0.0019 Å |
| c | 20.099 ± 0.002 Å |
| α | 117.717 ± 0.002° |
| β | 91.271 ± 0.002° |
| γ | 91.711 ± 0.002° |
| Cell volume | 4478.9 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1502 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7009581.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
7009581.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009581.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009581.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009581.cif |
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Users of the data should acknowledge the original authors of the
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