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Information card for entry 2240936
Preview
| Coordinates | 2240936.cif |
|---|---|
| Structure factors | 2240936.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) dichloride acetone monosolvate monohydrate |
|---|---|
| Formula | C53 H52 Au2 Cl2 O2 P4 |
| Calculated formula | C53 H52 Au2 Cl2 O2 P4 |
| SMILES | [Au]([P](C[P]([Au]1)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].O=C(C)C.O |
| Title of publication | Crystal structure of bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']digold(I) dichloride acetone monosolvate monohydrate |
| Authors of publication | Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | 937 - 940 |
| a | 11.7708 ± 0.0003 Å |
| b | 13.3657 ± 0.0003 Å |
| c | 16.1209 ± 0.0004 Å |
| α | 94.056 ± 0.002° |
| β | 92.059 ± 0.002° |
| γ | 97.882 ± 0.002° |
| Cell volume | 2503.29 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240936.cif 2240936.hkl |
| 181909 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240936.cif 2240936.hkl |
| 152270 | 2015-07-18 | cif/ hkl/ Adding structures of 2240936 via cif-deposit CGI script. |
2240936.cif 2240936.hkl |
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