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Information card for entry 7010546
Preview
| Coordinates | 7010546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H20 Au Cl3 N O2 P S |
|---|---|
| Calculated formula | C25 H20 Au Cl3 N O2 P S |
| SMILES | [Au](Sc1ccc(cc1)C(=O)O)[P](c1ccccc1)(c1ccccc1)c1ccccn1.C(Cl)(Cl)Cl |
| Title of publication | Structural diversity in gold(I) complexes of 4-sulfanylbenzoic acid |
| Authors of publication | Wilton-Ely, James D. E. T.; Schier, Annette; Mitzel, Norbert W.; Schmidbaur, Hubert |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 7 |
| Pages of publication | 1058 |
| a | 8.3563 ± 0.0001 Å |
| b | 17.482 ± 0.0003 Å |
| c | 19.2 ± 0.0003 Å |
| α | 104.53 ± 0.001° |
| β | 90.423 ± 0.001° |
| γ | 102.696 ± 0.001° |
| Cell volume | 2642.92 ± 0.07 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7010546.cif |
| 179809 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/05. |
7010546.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010546.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010546.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010546.cif |
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Users of the data should acknowledge the original authors of the
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