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Information card for entry 4064248
Preview
| Coordinates | 4064248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H62 Hf N2 |
|---|---|
| Calculated formula | C51 H62 Hf N2 |
| SMILES | [Hf]1(N(C2C(=[N]1c1c(cccc1C(C)C)C(C)C)CCCC=2)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities |
| Authors of publication | Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1695 |
| a | 11.938 ± 0.0012 Å |
| b | 18.1666 ± 0.0018 Å |
| c | 20.536 ± 0.002 Å |
| α | 100.946 ± 0.002° |
| β | 97.789 ± 0.002° |
| γ | 91.155 ± 0.002° |
| Cell volume | 4327.5 ± 0.7 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 | 0.0541 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (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 4/06/42. |
4064248.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064248.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064248.cif |
| 32828 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064247, 4064248, 4064249, 4064250, 4064251, 4064252, 4064253 via cif-deposit CGI script. |
4064248.cif |
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