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Information card for entry 7052475
Preview
| Coordinates | 7052475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H27 Au Cl4 O8 |
|---|---|
| Calculated formula | C10 H27 Au Cl4 O8 |
| SMILES | [Au](Cl)(Cl)(Cl)[Cl-].O1CCOCCOCCOCCOCC1.O.[OH2][H+][OH2] |
| Title of publication | Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5 |
| Authors of publication | Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2001 |
| Journal volume | 25 |
| Journal issue | 12 |
| Pages of publication | 1475 - 1478 |
| a | 7.9346 ± 0.0004 Å |
| b | 18.6728 ± 0.0009 Å |
| c | 13.9672 ± 0.0007 Å |
| α | 90° |
| β | 104.485 ± 0.003° |
| γ | 90° |
| Cell volume | 2003.62 ± 0.17 Å3 |
| Cell temperature | 80 ± 2 K |
| Ambient diffraction temperature | 80 ± 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.2316 Å |
| Diffraction radiation type | neutron |
| 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. |
7052475.cif |
| 174732 | 2016-01-22 | cif/7/05/ (antanas@kurmis) Updating bibliography for entries 7052473, 7052474, 7052475, 7052476. |
7052475.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
7052475.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052475.cif |
| 22587 | 2011-07-05 | cif/7/ Fixing incorrect journal year for structures 7052473, 7052491, 7052475, 7052492, 7052476 and 7052493. |
7052475.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7052475.cif |
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Users of the data should acknowledge the original authors of the
structural data.