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Information card for entry 4337431
Preview
| Coordinates | 4337431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C78 H94 N8 S2 Yb2 |
|---|---|
| Calculated formula | C78 H94 N8 S2 Yb2 |
| SMILES | c1(c(cccc1C)C)[N]1=C(N2c3c(N4C(=[N](c5c(cccc5C)C)[Yb]5124[S](Cc1ccccc1)[Yb]124([N](c6c(cccc6C)C)=C(N2c2ccccc2[N]4=C(N1c1c(cccc1C)C)C(C)(C)C)C(C)(C)C)[S]5Cc1ccccc1)C(C)(C)C)cccc3)C(C)(C)C |
| Title of publication | Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom. |
| Authors of publication | Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1537 - 1543 |
| a | 12.0273 ± 0.0005 Å |
| b | 12.6115 ± 0.0006 Å |
| c | 13.6486 ± 0.0006 Å |
| α | 110.18 ± 0.001° |
| β | 108.3 ± 0.001° |
| γ | 94.12 ± 0.001° |
| Cell volume | 1806.79 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0166 |
| Residual factor for significantly intense reflections | 0.0159 |
| Weighted residual factors for significantly intense reflections | 0.0406 |
| Weighted residual factors for all reflections included in the refinement | 0.0409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337431.cif |
| 179477 | 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 4/33/74. |
4337431.cif |
| 106369 | 2014-03-15 | cif/ Adding structures of 4337429, 4337430, 4337431 via cif-deposit CGI script. |
4337431.cif |
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Users of the data should acknowledge the original authors of the
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