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Information card for entry 4334277
Preview
| Coordinates | 4334277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H138 Ag2 Au6 Cl2 O16 P6 |
|---|---|
| Calculated formula | C120 H138 Ag2 Au6 Cl2 O16 P6 |
| SMILES | [C]1(#CC(C)(O)C)[Ag]2([C](#CC(O)(C)C)[Au][P](c3ccccc3)(c3ccccc3)CCCC[P]([Au]1)(c1ccccc1)c1ccccc1)[C](#[C]2C(O)(C)C)[Au][P](c1ccccc1)(c1ccccc1)CCCC[P]([Au][C]1#[C]([Ag]21[C](#CC(C)(C)O)[Au][P](c1ccccc1)(c1ccccc1)CCCC[P]([Au][C]2#CC(O)(C)C)(c1ccccc1)c1ccccc1)C(O)(C)C)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.O[C](C)C.[O-]Cl(=O)(=O)=O.O[C](C)C |
| Title of publication | Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters |
| Authors of publication | Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 3663 - 3673 |
| a | 13.1001 ± 0.0005 Å |
| b | 14.0229 ± 0.0006 Å |
| c | 17.8852 ± 0.0008 Å |
| α | 100.807 ± 0.003° |
| β | 98.707 ± 0.002° |
| γ | 98.553 ± 0.003° |
| Cell volume | 3136.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179445 (current) | 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 4/33/42. |
4334277.cif |
| 100094 | 2014-02-04 | cif/ Adding structures of 4334277 via cif-deposit CGI script. |
4334277.cif |
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Users of the data should acknowledge the original authors of the
structural data.