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Information card for entry 7028891
Preview
| Coordinates | 7028891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H78 Ag4 P2 S4 |
|---|---|
| Calculated formula | C34 H78 Ag4 P2 S4 |
| SMILES | [Ag]1[S](C(C)(C)C)[Ag]([P](CCC)(CCC)CCC)[S](C(C)(C)C)[Ag][S](C(C)(C)C)[Ag]([P](CCC)(CCC)CCC)[S]1C(C)(C)C |
| Title of publication | N-heterocyclic carbenes as effective ligands for the preparation of stabilized copper- and silver-t-butylthiolate clusters. |
| Authors of publication | Najafabadi, Bahareh Khalili; Corrigan, John F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 5 |
| Pages of publication | 2104 - 2111 |
| a | 9.538 ± 0.004 Å |
| b | 10.919 ± 0.003 Å |
| c | 12.288 ± 0.004 Å |
| α | 69.848 ± 0.019° |
| β | 78.879 ± 0.013° |
| γ | 83.194 ± 0.009° |
| Cell volume | 1177 ± 0.7 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0191 |
| Weighted residual factors for significantly intense reflections | 0.0374 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028891.cif |
| 179994 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88. |
7028891.cif |
| 105455 | 2014-03-12 | cif/ Adding structures of 7028885, 7028886, 7028887, 7028888, 7028889, 7028890, 7028891, 7028892 via cif-deposit CGI script. |
7028891.cif |
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Users of the data should acknowledge the original authors of the
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