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Information card for entry 4121975
Preview
| Coordinates | 4121975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H42 N2 Yb |
|---|---|
| Calculated formula | C34 H42 N2 Yb |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Yb]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)[n]1cccc2c(c(c3ccc[n]9c3c12)C)C)C)C)C)C |
| Title of publication | Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb. |
| Authors of publication | Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 24 |
| Pages of publication | 8626 - 8641 |
| a | 9.0108 ± 0.0003 Å |
| b | 17.2862 ± 0.0006 Å |
| c | 18.5122 ± 0.0006 Å |
| α | 90° |
| β | 90.228 ± 0.002° |
| γ | 90° |
| Cell volume | 2883.48 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0239 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0463 |
| Weighted residual factors for all reflections included in the refinement | 0.0482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179021 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19. |
4121975.cif |
| 119145 | 2014-07-05 | cif/ Updating files of 4121972, 4121973, 4121974, 4121975, 4121976 Original log message: Adding full bibliography for 4121972--4121976.cif. |
4121975.cif |
| 116330 | 2014-06-10 | cif/ Adding structures of 4121972, 4121973, 4121974, 4121975, 4121976 via cif-deposit CGI script. |
4121975.cif |
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Users of the data should acknowledge the original authors of the
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