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Information card for entry 4086165
Preview
| Coordinates | 4086165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C78 H60 O11 P2 S2 W2 |
|---|---|
| Calculated formula | C78 H60 O11 P2 S2 W2 |
| Title of publication | Formation of Transient and Stable 1,3-Dipole Complexes with P,S,C and S,P,C Ligand Skeletons |
| Authors of publication | Streubel, Rainer; Faßbender, Jan; Schnakenburg, Gregor; Espinosa Ferao, Arturo |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3103 |
| a | 9.8603 ± 0.0019 Å |
| b | 10.918 ± 0.003 Å |
| c | 16.59 ± 0.004 Å |
| α | 80.912 ± 0.008° |
| β | 84.345 ± 0.009° |
| γ | 79.531 ± 0.008° |
| Cell volume | 1729.7 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.145 |
| Residual factor for significantly intense reflections | 0.0918 |
| Weighted residual factors for significantly intense reflections | 0.2198 |
| Weighted residual factors for all reflections included in the refinement | 0.2479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4086165.cif |
| 152775 | 2015-08-05 | cif/ Adding structures of 4086165, 4086166 via cif-deposit CGI script. |
4086165.cif |
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Users of the data should acknowledge the original authors of the
structural data.