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Information card for entry 7005707
Preview
| Coordinates | 7005707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C28 H44 Cl2 N2 O4 Si4 Zr |
|---|---|
| Calculated formula | C28 H44 Cl2 N2 O4 Si4 Zr |
| SMILES | [Zr](Cl)(Cl)(N([Si](C)(C)c2oc(cc2)C)[Si](C)(C)c1oc(cc1)C)N([Si](C)(C)c1oc(cc1)C)[Si](C)(C)c1oc(cc1)C |
| Title of publication | Deactivation pathways of ethylene polymerization catalysts derived from titanium and zirconium 1,3-bis(furyl)-1,1,3,3-tetramethyldisilazide complexes. |
| Authors of publication | Evans, Lloyd T. J.; Coles, Martyn P.; Geoffrey, F.; Cloke, N.; Hitchcock, Peter B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 25 |
| Pages of publication | 2707 - 2717 |
| a | 20.2313 ± 0.0008 Å |
| b | 10.0263 ± 0.0004 Å |
| c | 19.8693 ± 0.0005 Å |
| α | 90° |
| β | 115.341 ± 0.002° |
| γ | 90° |
| Cell volume | 3642.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0854 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7005707.cif |
| 179761 | 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 7/00/57. |
7005707.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005707.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005707.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005707.cif |
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