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Information card for entry 7045120
Preview
| Coordinates | 7045120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H54 N2 S Yb |
|---|---|
| Calculated formula | C42 H54 N2 S Yb |
| SMILES | [Yb]123456789([s]%10c(ccc%10)c%10[n]1c(ccc%10)/C=N/c1c(cccc1C(C)C)C(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C |
| Title of publication | Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes. |
| Authors of publication | Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 5 |
| Pages of publication | 1566 - 1576 |
| a | 16.0426 ± 0.0002 Å |
| b | 18.6629 ± 0.0003 Å |
| c | 12.4388 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3724.19 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287906 (current) | 2023-11-30 | cif/7/ (antanas@oposumas) Removed data items that had the '\^A' values from multiple entries. These values convey no meaning and most likely arose due to data corruption. The same values are also present in the original supplementary material data files. |
7045120.cif |
| 229464 | 2019-11-17 | cif/ Updating files of 7045118, 7045119, 7045120, 7045121 Original log message: Adding full bibliography for 7045118--7045121.cif. |
7045120.cif |
| 204470 | 2017-12-22 | cif/ Adding structures of 7045118, 7045119, 7045120, 7045121 via cif-deposit CGI script. |
7045120.cif |
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Users of the data should acknowledge the original authors of the
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