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Information card for entry 4064253
Preview
| Coordinates | 4064253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H54 N2 Zr |
|---|---|
| Calculated formula | C43 H54 N2 Zr |
| SMILES | [Zr]1([N](=C2C(N1c1c(cccc1C(C)C)C(C)C)=CCCC2)CCCC)(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 | 9.5524 ± 0.0006 Å |
| b | 21.5376 ± 0.0013 Å |
| c | 18.9705 ± 0.0011 Å |
| α | 90° |
| β | 102.977 ± 0.001° |
| γ | 90° |
| Cell volume | 3803.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0696 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| 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. |
4064253.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064253.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064253.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. |
4064253.cif |
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