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Information card for entry 7009522
Preview
| Coordinates | 7009522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H9 Au N2 O4 S2 |
|---|---|
| Calculated formula | C13.5 H10.125 Au0.5625 N2.25 O4.5 S2.25 |
| Title of publication | Synthesis and crystal structure of a hexanuclear silver(I) cluster [Ag(Hmna)]6·4H2O (H2mna = 2-mercaptonicotinic acid) and a supramolecular gold(I) complex H[Au(Hmna)2] in the solid state, and their antimicrobial activities |
| Authors of publication | Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 13 |
| Pages of publication | 2091 |
| a | 15.554 ± 0.003 Å |
| b | 15.5541 Å |
| c | 31.26 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6549.5 ± 1.6 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.038 |
| Goodness-of-fit parameter for all reflections | 1.222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7009522.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7009522.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7009522.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009522.cif |
| 120040 | 2014-07-11 | cif/7/00/95/ Removing duplicated symmetry operators. |
7009522.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009522.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009522.cif |
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Users of the data should acknowledge the original authors of the
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