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Information card for entry 4085082
Preview
| Coordinates | 4085082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H32 N Y |
|---|---|
| Calculated formula | C19 H32 N Y |
| SMILES | [c]12([c]3([c]45[c]6([c]1(C)[Y]17892356([CH2]=[CH]1C7)(C[CH]8=[CH2]9)[N](CC4)(C)C)C)C)C |
| Title of publication | Rare-Earth-Metal Allyl Complexes Supported by the [2-(N,N-Dimethylamino)ethyl]tetramethylcyclopentadienyl Ligand: Structural Characterization, Reactivity, and Isoprene Polymerization |
| Authors of publication | Jende, Lars N.; Hollfelder, Christoph O.; Maichle-Mössmer, Cäcilia; Anwander, Reiner |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 32 |
| a | 8.4644 ± 0.0004 Å |
| b | 13.9975 ± 0.0005 Å |
| c | 8.5546 ± 0.0004 Å |
| α | 90° |
| β | 114.26 ± 0.003° |
| γ | 90° |
| Cell volume | 924.05 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178739 (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 4/08/50. |
4085082.cif |
| 130804 | 2015-02-04 | cif/ Updating files of 4085082, 4085083, 4085084, 4085085, 4085086 Original log message: Adding full bibliography for 4085082--4085086.cif. |
4085082.cif |
| 129241 | 2014-12-30 | cif/ Adding structures of 4085082, 4085083, 4085084, 4085085, 4085086 via cif-deposit CGI script. |
4085082.cif |
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Users of the data should acknowledge the original authors of the
structural data.