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Information card for entry 4116557
Preview
| Coordinates | 4116557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H66 Au4 F12 O2 P6 S2 |
|---|---|
| Calculated formula | C66 H66 Au4 F12 O2 P6 S2 |
| Title of publication | Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide |
| Authors of publication | Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 9225 - 9226 |
| a | 14.0845 ± 0.0003 Å |
| b | 13.2873 ± 0.0002 Å |
| c | 19.6109 ± 0.0003 Å |
| α | 90° |
| β | 97.516 ± 0.001° |
| γ | 90° |
| Cell volume | 3638.55 ± 0.11 Å3 |
| Cell temperature | 270 ± 2 K |
| Ambient diffraction temperature | 270 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0999 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections | 0.1476 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Goodness-of-fit parameter for all reflections | 1.002 |
| Goodness-of-fit parameter for significantly intense reflections | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178936 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/65. |
4116557.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4116557.cif |
| 72682 | 2013-01-25 | cif/ Adding structures of 4116557 via cif-deposit CGI script. |
4116557.cif |
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Users of the data should acknowledge the original authors of the
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