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Information card for entry 4063371
Preview
| Coordinates | 4063371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 Hf N2 |
|---|---|
| Calculated formula | C40 H52 Hf N2 |
| SMILES | [Hf]1([N](=C(C(N1CC)(C)C)C)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization |
| Authors of publication | Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 251 - 262 |
| a | 10.3947 ± 0.0004 Å |
| b | 10.7129 ± 0.0005 Å |
| c | 16.4069 ± 0.0007 Å |
| α | 91.585 ± 0.001° |
| β | 107.552 ± 0.001° |
| γ | 93.682 ± 0.001° |
| Cell volume | 1736.25 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178528 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/33. |
4063371.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063371.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063371.cif |
| 17029 | 2011-04-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4063369, 4063370, 4063371, 4063372 via cif-deposit CGI script. |
4063371.cif |
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Users of the data should acknowledge the original authors of the
structural data.