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Information card for entry 4067634
Preview
| Coordinates | 4067634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H63 N6 Y |
|---|---|
| Calculated formula | C58 H63 N6 Y |
| SMILES | [Y]12(N3C=Cc4ccccc4C3)([n]3cc4ccccc4cc3)([n]3cc4ccccc4cc3)[n]3c(cccc3CN1c1c(cccc1C(C)C)C(C)C)CN2c1c(cccc1C(C)C)C(C)C |
| Title of publication | Reactions of Aromatic N-Heterocycles with Yttrium and Lutetium Benzyl Complexes Supported by a Pyridine-Diamide Ligand |
| Authors of publication | Jie, Suyun; Diaconescu, Paula L. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1222 |
| a | 18.347 ± 0.003 Å |
| b | 11.7235 ± 0.0017 Å |
| c | 23.396 ± 0.004 Å |
| α | 90° |
| β | 99.929 ± 0.002° |
| γ | 90° |
| Cell volume | 4956.9 ± 1.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0941 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067634.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4067634.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067634.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067634.cif |
| 34253 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067632, 4067633, 4067634 via cif-deposit CGI script. |
4067634.cif |
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