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Information card for entry 4080111
Preview
| Coordinates | 4080111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H54 N5 Si2 Y |
|---|---|
| Calculated formula | C34 H54 N5 Si2 Y |
| SMILES | [Y]1345678([N]([Si](C)(C)C)=C([C@H](N(C)C)c2ccccc2)N1[Si](C)(C)C)([N]([C@@H]3[C]14C=CC=C[CH]5=1)(C)C)[N]([C@@H]6[C]17=[CH]8C=CC=C1)(C)C.[Y]1345678([N]([Si](C)(C)C)=C([C@@H](N(C)C)c2ccccc2)N1[Si](C)(C)C)([N]([C@H]3[C]14C=CC=C[CH]5=1)(C)C)[N]([C@H]6[C]17=[CH]8C=CC=C1)(C)C |
| 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 | 9.105 ± 0.0002 Å |
| b | 11.1607 ± 0.0003 Å |
| c | 18.8762 ± 0.0005 Å |
| α | 98.193 ± 0.001° |
| β | 96.863 ± 0.001° |
| γ | 108.486 ± 0.001° |
| Cell volume | 1772.7 ± 0.08 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178690 (current) | 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. |
4080111.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. |
4080111.cif |
| 76866 | 2013-03-21 | cif/ Adding structures of 4080110, 4080111, 4080112 via cif-deposit CGI script. |
4080111.cif |
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Users of the data should acknowledge the original authors of the
structural data.