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Information card for entry 4084836
Preview
| Coordinates | 4084836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C75 H92 N4 Yb2 |
|---|---|
| Calculated formula | C75 H92 N4 Yb2 |
| Title of publication | Carbon–Hydrogen Bond Breaking and Making in the Open-Shell Singlet Molecule Cp*2Yb(4,7-Me2phen) |
| Authors of publication | Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Ricard, Louis; Andersen, Richard A. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6819 |
| a | 10.021 ± 0.003 Å |
| b | 20.372 ± 0.005 Å |
| c | 15.64 ± 0.004 Å |
| α | 90° |
| β | 96.033 ± 0.003° |
| γ | 90° |
| Cell volume | 3175.2 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0218 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.0458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| 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. |
4084836.cif |
| 178737 | 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 4/08/48. |
4084836.cif |
| 131494 | 2015-02-08 | cif/ Updating files of 4084836, 4084837, 4084838 Original log message: Adding full bibliography for 4084836--4084838.cif. |
4084836.cif |
| 127756 | 2014-11-21 | cif/ Adding structures of 4084836, 4084837, 4084838 via cif-deposit CGI script. |
4084836.cif |
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Users of the data should acknowledge the original authors of the
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