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Information card for entry 7007952
Preview
| Coordinates | 7007952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 3b |
|---|---|
| Formula | C23 H30 Cl7 N O Ti2 |
| Calculated formula | C23 H30 Cl7 N O Ti2 |
| SMILES | [Ti]123([Cl][Ti]([Cl]1)([Cl]2)(Cl)(Cl)Cl)(Cl)Oc1c(C=[N]3c2c(C(C)C)cccc2C(C)C)cccc1C(C)(C)C |
| 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 | 9.88 ± 0.001 Å |
| b | 19.315 ± 0.001 Å |
| c | 15.511 ± 0.006 Å |
| α | 90° |
| β | 102.8 ± 0.01° |
| γ | 90° |
| Cell volume | 2886.4 ± 1.2 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| 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. |
7007952.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007952.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007952.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007952.cif |
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