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Information card for entry 4087337
Preview
| Coordinates | 4087337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C63 H83 P2 Sm2 |
|---|---|
| Calculated formula | C63 H83 P2 Sm2 |
| Title of publication | Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways |
| Authors of publication | Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 7 |
| Pages of publication | 1287 |
| a | 14.8045 ± 0.0002 Å |
| b | 19.2163 ± 0.0002 Å |
| c | 23.241 ± 0.0003 Å |
| α | 66.2551 ± 0.0011° |
| β | 81.29 ± 0.0011° |
| γ | 72.3002 ± 0.0012° |
| Cell volume | 5762.39 ± 0.14 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation probe | x-ray |
| 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. |
4087337.cif |
| 196060 | 2017-05-04 | cif/ Adding structures of 4087333, 4087334, 4087335, 4087336, 4087337 via cif-deposit CGI script. |
4087337.cif |
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Users of the data should acknowledge the original authors of the
structural data.