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Information card for entry 4072521
Preview
| Coordinates | 4072521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [2-[1-[[2,6-di(1-methylethyl)phenyl]amino-κN]-2-phenylethyl] phenolato(2-)-κO][2-[[[2,6-di(1-methylethyl)phenyl]imino-κN]methyl] phenolato-κO](phenylmethyl)titanium(IV) |
|---|---|
| Formula | C52 H58 N2 O2 Ti |
| Calculated formula | C52 H58 N2 O2 Ti |
| SMILES | [Ti]12(Oc3c(C(N2c2c(C(C)C)cccc2C(C)C)Cc2ccccc2)cccc3)(Oc2ccccc2C=[N]1c1c(C(C)C)cccc1C(C)C)Cc1ccccc1 |
| Title of publication | Hafnium Bis(phenoxyimino) Dibenzyl Complexes and Their Activation toward Olefin Polymerization |
| Authors of publication | Axenov, Kirill V.; Klinga, Martti; Lehtonen, Olli; Koskela, Harri T.; Leskelä, Markku; Repo, Timo |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 6 |
| Pages of publication | 1444 |
| a | 20.734 ± 0.001 Å |
| b | 12.02 ± 0.001 Å |
| c | 20.224 ± 0.001 Å |
| α | 90° |
| β | 117.8 ± 0.01° |
| γ | 90° |
| Cell volume | 4458.5 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1464 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178614 (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 4/07/25. |
4072521.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072521.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072521.cif |
| 45856 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072521, 4072522, 4072523, 4072524 via cif-deposit CGI script. |
4072521.cif |
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