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Information card for entry 4089092
Preview
| Coordinates | 4089092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C65 H53 Cu2 F6 O P5 |
|---|---|
| Calculated formula | C65 H53 Cu2 F6 O P5 |
| SMILES | [C]12#[C](c3ccccc3)[Cu]3452[P](c2c(cccc2)[P](c2ccccc2)(c2ccccc2)[Cu]15)(c1ccccc1[P]3(c1ccccc1)c1ccccc1)c1ccccc1[P]4(c1ccccc1)c1ccccc1.CC(=O)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines |
| Authors of publication | Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 21 |
| Pages of publication | 3763 |
| a | 10.9071 ± 0.0008 Å |
| b | 30.125 ± 0.002 Å |
| c | 17.9273 ± 0.0014 Å |
| α | 90° |
| β | 105.118 ± 0.002° |
| γ | 90° |
| Cell volume | 5686.6 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| 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 |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4089092.cif |
| 237980 | 2019-11-24 | cif/ Adding structures of 4089088, 4089089, 4089090, 4089091, 4089092, 4089093, 4089094, 4089095, 4089096, 4089097, 4089098, 4089099, 4089100, 4089101 via cif-deposit CGI script. |
4089092.cif |
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Users of the data should acknowledge the original authors of the
structural data.