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Information card for entry 4080112
Preview
| Coordinates | 4080112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H72 La N6 P3 |
|---|---|
| Calculated formula | C57 H72 La N6 P3 |
| Title of publication | Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes |
| Authors of publication | Behrle, Andrew C.; Schmidt, Joseph A. R. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 5 |
| Pages of publication | 1141 - 1149 |
| a | 10.0569 ± 0.0012 Å |
| b | 12.789 ± 0.0016 Å |
| c | 21.968 ± 0.003 Å |
| α | 82.324 ± 0.002° |
| β | 83.209 ± 0.002° |
| γ | 80.949 ± 0.002° |
| Cell volume | 2751.6 ± 0.6 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0238 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
4080112.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. |
4080112.cif |
| 76867 | 2013-03-21 | cif/4/08/ (saulius@koala.ibt.lt) Removing the empty _chemical_name_systematic data item from the 408011{0,1,2}.cif files. |
4080112.cif |
| 76866 | 2013-03-21 | cif/ Adding structures of 4080110, 4080111, 4080112 via cif-deposit CGI script. |
4080112.cif |
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Users of the data should acknowledge the original authors of the
structural data.