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Information card for entry 7035503
Preview
| Coordinates | 7035503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H61 Au2 N4 Na6 O29 S8 |
|---|---|
| Calculated formula | C24 H61 Au2 N4 Na6 O29 S8 |
| SMILES | c1(nc(c(CC(=O)[O-])s1)C)S[Au]Sc1nc(c(CC(=O)[O-])s1)C.O.[Na+].O.O.O.[Na+].O.O.O.O.O.[Na+].O.O.O |
| Title of publication | Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands. |
| Authors of publication | Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 30 |
| Pages of publication | 13641 - 13650 |
| a | 11.1423 ± 0.00014 Å |
| b | 26.799 ± 0.0003 Å |
| c | 38.4479 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11480.6 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.375 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287753 (current) | 2023-11-23 | Fixing Z values and formulae |
7035503.cif |
| 176428 | 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. |
7035503.cif |
| 153139 | 2015-08-08 | cif/ Updating files of 7035501, 7035502, 7035503, 7035504 Original log message: Adding full bibliography for 7035501--7035504.cif. |
7035503.cif |
| 139498 | 2015-06-23 | cif/ Adding structures of 7035501, 7035502, 7035503, 7035504 via cif-deposit CGI script. |
7035503.cif |
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