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Information card for entry 4080117
Preview
| Coordinates | 4080117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C86 H114 N4 S4 Yb2 |
|---|---|
| Calculated formula | C86 H114 N4 S4 Yb2 |
| SMILES | C1(C(C)(C)C)=[N](c2c(cccc2C(C)C)C(C)C)[Yb]234(N1c1c(cccc1C(C)C)C(C)C)[S](Cc1ccccc1)[Yb]1([N](c5c(cccc5C(C)C)C(C)C)=C(C(C)(C)C)N1c1c(cccc1C(C)C)C(C)C)([S]3Cc1ccccc1)([S]4Cc1ccccc1)[S]2Cc1ccccc1 |
| Title of publication | Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb–H Bond |
| Authors of publication | Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 5 |
| Pages of publication | 1507 |
| a | 15.4161 ± 0.0004 Å |
| b | 17.4607 ± 0.0004 Å |
| c | 15.9777 ± 0.0004 Å |
| α | 90° |
| β | 114.938 ± 0.003° |
| γ | 90° |
| Cell volume | 3899.82 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.091 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| 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. |
4080117.cif |
| 178690 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01. |
4080117.cif |
| 76872 | 2013-03-21 | cif/ Adding structures of 4080116, 4080117, 4080118, 4080119, 4080120 via cif-deposit CGI script. |
4080117.cif |
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