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Information card for entry 7015644
Preview
| Coordinates | 7015644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H39 Cl N2 Zr |
|---|---|
| Calculated formula | C28 H39 Cl N2 Zr |
| SMILES | [Zr]1234(Cl)(N(C)c5c(cccc5C)C)(N(C)c5c(cccc5C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
| Title of publication | Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene. |
| Authors of publication | Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4715 - 4721 |
| a | 8.4521 ± 0.0008 Å |
| b | 11.6652 ± 0.0011 Å |
| c | 14.8715 ± 0.0014 Å |
| α | 85.017 ± 0.002° |
| β | 75.515 ± 0.002° |
| γ | 73.171 ± 0.002° |
| Cell volume | 1358.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/56. |
7015644.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015644.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015644.cif |
| 21211 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015642, 7015643, 7015644 via cif-deposit CGI script. |
7015644.cif |
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Users of the data should acknowledge the original authors of the
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