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Information card for entry 4080144
Preview
| Coordinates | 4080144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H39 N6 Y |
|---|---|
| Calculated formula | C39 H39 N6 Y |
| SMILES | c1ccc2C=[N](c3c(cccc3C)C)[Y]34(n12)(n1cccc1C=[N]3c1c(cccc1C)C)n1cccc1C=[N]4c1c(cccc1C)C |
| Title of publication | Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→ Al N-Ancillary Ligand Transfer |
| Authors of publication | Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 5 |
| Pages of publication | 1199 |
| a | 9.7346 ± 0.0005 Å |
| b | 17.5172 ± 0.0011 Å |
| c | 20.4851 ± 0.0013 Å |
| α | 90° |
| β | 95.894 ± 0.004° |
| γ | 90° |
| Cell volume | 3474.7 ± 0.4 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.323 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4080144.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. |
4080144.cif |
| 77242 | 2013-03-24 | cif/ Adding structures of 4080138, 4080139, 4080140, 4080141, 4080142, 4080143, 4080144 via cif-deposit CGI script. |
4080144.cif |
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Users of the data should acknowledge the original authors of the
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