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Information card for entry 7009011
Preview
| Coordinates | 7009011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 I5 O7 |
|---|---|
| Calculated formula | C20 H24 I5 O7 |
| Title of publication | Investigations of the polyiodides H3O·Ix (x = 3, 5 or 7) as dibenzo-18-crown-6 complexes |
| Authors of publication | Kloo, Lars; Svensson, Per H.; Taylor, Michael J. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 7 |
| Pages of publication | 1061 |
| a | 8.2508 ± 0.0008 Å |
| b | 24.949 ± 0.005 Å |
| c | 14.224 ± 0.006 Å |
| α | 90° |
| β | 97.59 ± 0.02° |
| γ | 90° |
| Cell volume | 2902.3 ± 1.4 Å3 |
| Cell temperature | 273.2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0374 |
| Goodness-of-fit parameter for significantly intense reflections | 1.559 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7009011.cif |
| 134496 | 2015-03-28 | cif/ (antanas@echidna.ibt.lt) Changing tag order in '_atom_site' loop to correspond to the values for CIFs 4321160, 4321192, 7009011, 8100003, 8100334. A more detailed explanation of made changes is given in the '_cod_depositor_comments' tag value. |
7009011.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009011.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009011.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7009011.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009011.cif |
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Users of the data should acknowledge the original authors of the
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