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Information card for entry 4333557
Preview
| Coordinates | 4333557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [(SIDipp)Au(cyclooctyne)][SbF6] |
|---|---|
| Formula | C36 H52 Au Cl2 F6 N2 Sb |
| Calculated formula | C36 H52 Au Cl2 F6 N2 Sb |
| Title of publication | End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines |
| Authors of publication | Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 729 - 742 |
| a | 14.1827 ± 0.0009 Å |
| b | 14.4496 ± 0.0009 Å |
| c | 22.4045 ± 0.0011 Å |
| α | 90° |
| β | 120.917 ± 0.003° |
| γ | 90° |
| Cell volume | 3939.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333557.cif |
| 179438 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35. |
4333557.cif |
| 99352 | 2014-01-31 | cif/ Adding structures of 4333557 via cif-deposit CGI script. |
4333557.cif |
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Users of the data should acknowledge the original authors of the
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