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Information card for entry 7007954
Preview
| Coordinates | 7007954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Complex 5c |
|---|---|
| Formula | C24 H32 Cl3 N O2 Ti |
| Calculated formula | C24 H32 Cl3 N O2 Ti |
| SMILES | [Ti]1(Cl)(Cl)(Cl)(Oc2c(cccc2C(C)(C)C)C=[N]1c1c(cc(cc1C)C)C)[O]1CCCC1 |
| Title of publication | The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes. |
| Authors of publication | Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 3 |
| Pages of publication | 561 - 571 |
| a | 7.912 ± 0.0016 Å |
| b | 10.469 ± 0.002 Å |
| c | 15.803 ± 0.003 Å |
| α | 91.76 ± 0.03° |
| β | 102.27 ± 0.03° |
| γ | 94.09 ± 0.03° |
| Cell volume | 1274.4 ± 0.5 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179783 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/79. |
7007954.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007954.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007954.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007954.cif |
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Users of the data should acknowledge the original authors of the
structural data.