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Information card for entry 4079167
Preview
| Coordinates | 4079167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C19 H20 N2 |
|---|---|
| Calculated formula | C19 H20 N2 |
| SMILES | N(c1cccc2c1nc(cc2C)C)c1c(cccc1C)C |
| Title of publication | Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity |
| Authors of publication | Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 17 |
| Pages of publication | 6244 |
| a | 11.4006 ± 0.0004 Å |
| b | 7.6959 ± 0.0003 Å |
| c | 17.9355 ± 0.0006 Å |
| α | 90° |
| β | 108.246 ± 0.001° |
| γ | 90° |
| Cell volume | 1494.5 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4079167.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4079167.cif |
| 178680 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/91. |
4079167.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079167.cif |
| 72343 | 2013-01-21 | cif/ Adding structures of 4079167, 4079168, 4079169, 4079170, 4079171 via cif-deposit CGI script. |
4079167.cif |
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Users of the data should acknowledge the original authors of the
structural data.