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Information card for entry 1501780
Preview
| Coordinates | 1501780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H40 Cl2 N2 O4 Zr |
|---|---|
| Calculated formula | C36 H40 Cl2 N2 O4 Zr |
| SMILES | C1=[N](c2ccc(OC)cc2)[Zr]2(Cl)([N](=Cc3c(c(ccc3)C(C)(C)C)O2)c2ccc(OC)cc2)(Oc2c(cccc12)C(C)(C)C)Cl |
| Title of publication | Zirconium-Catalyzed Polymerization of a Styrene: Catalyst Reactivation Mechanisms Using Alkenes and Dihydrogen |
| Authors of publication | Theaker, Giles W.; Morton, Colin; Scott, Peter |
| Journal of publication | Macromolecules |
| Year of publication | 2011 |
| Journal volume | 44 |
| Journal issue | 6 |
| Pages of publication | 1393 |
| a | 23.2628 ± 0.0008 Å |
| b | 8.7389 ± 0.0003 Å |
| c | 16.6065 ± 0.0006 Å |
| α | 90° |
| β | 93.635 ± 0.003° |
| γ | 90° |
| Cell volume | 3369.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501780.cif |
| 114138 | 2014-05-22 | cif/ Updating files of 1501780 Original log message: Adding full bibliography for 1501780.cif. |
1501780.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501780.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501780.cif |
| 35138 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501780 via cif-deposit CGI script. |
1501780.cif |
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