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Information card for entry 4073572
Preview
| Coordinates | 4073572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H64 N2 Zr |
|---|---|
| Calculated formula | C54 H64 N2 Zr |
| SMILES | [Zr]1([N](=C(CN1c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Synthesis of Hafnium and Zirconium Imino−Amido Complexes from Bis-imine Ligands. A New Family of Olefin Polymerization Catalysts |
| Authors of publication | De Waele, Philip; Jazdzewski, Brian A.; Klosin, Jerzy; Murray, Rex E.; Theriault, Curt N.; Vosejpka, Paul C.; Petersen, Jeffrey L. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 16 |
| Pages of publication | 3896 |
| a | 13.5237 ± 0.001 Å |
| b | 18.2574 ± 0.0014 Å |
| c | 18.3733 ± 0.0014 Å |
| α | 90° |
| β | 91.016 ± 0.002° |
| γ | 90° |
| Cell volume | 4535.8 ± 0.6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (current) | 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 4/07/35. |
4073572.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073572.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073572.cif |
| 46425 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073569, 4073570, 4073571, 4073572 via cif-deposit CGI script. |
4073572.cif |
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Users of the data should acknowledge the original authors of the
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