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Information card for entry 4304546
Preview
| Coordinates | 4304546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C80 H66 Au2 N8 O8 P4 |
|---|---|
| Calculated formula | C80 H66 Au2 N8 O8 P4 |
| SMILES | c12cccc3Nc4cccc([P](c5ccccc5)(c5ccccc5)[Au]5[Au]([P]1(c1ccccc1)c1ccccc1)[P](c1cccc6Nc7cccc([P]5(c5ccccc5)c5ccccc5)c7Oc16)(c1ccccc1)c1ccccc1)c4Oc23.N(=O)(=O)[O-].N#CC.N#CC.N(=O)(=O)[O-].N#CC.N#CC |
| Title of publication | Solvent-Assisted Spontaneous Resolution of a 16-Membered Ring Containing Gold(I) Showing Short Au...Au Aurophilic Interaction and a Figure-Eight Conformation |
| Authors of publication | Tünde Tunyogi; Andrea Deák; Gábor Tárkányi; Péter Király; Gábor Pálinkás |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 2049 - 2055 |
| a | 21.985 ± 0.005 Å |
| b | 15.655 ± 0.003 Å |
| c | 22.109 ± 0.004 Å |
| α | 90° |
| β | 108.665 ± 0.008° |
| γ | 90° |
| Cell volume | 7209 ± 3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304546.cif |
| 179083 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/45. |
4304546.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304546.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304546.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304546.cif |
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Users of the data should acknowledge the original authors of the
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