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Information card for entry 4063377
Preview
| Coordinates | 4063377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H40 Cl2 Zr |
|---|---|
| Calculated formula | C32 H40 Cl2 Zr |
| SMILES | [Zr]123456789(Cl)(Cl)[c]%10(C[c]%115[c]56ccc(C(C)(C)C)c[c]75[c]58[c]9%11ccc(c5)C(C)(C)C)[c]1(C)[cH]2[c]3(C(C)(C)C)[cH]4%10 |
| Title of publication | Chiral-at-ansa-Bridged Group 4 Metallocene Complexes {(R1R2C)-(3,6-tBu2Flu)(3-R3-5-Me-C5H2)}MCl2: Synthesis, Structure, Stereochemistry, and Use in Highly Isoselective Propylene Polymerization |
| Authors of publication | Kirillov, Evgeny; Marquet, Nicolas; Bader, Manuela; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 263 - 272 |
| a | 10.4377 ± 0.0002 Å |
| b | 21.6825 ± 0.0006 Å |
| c | 13.6979 ± 0.0003 Å |
| α | 90° |
| β | 106.509 ± 0.001° |
| γ | 90° |
| Cell volume | 2972.25 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218790 (current) | 2019-09-24 | cif/4/06/ Updated bibliographic information in entries 4063373-4063377, 4064068. |
4063377.cif |
| 178528 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/33. |
4063377.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063377.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063377.cif |
| 18120 | 2011-04-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4063373, 4063374, 4063375, 4063376, 4063377 via cif-deposit CGI script. |
4063377.cif |
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Users of the data should acknowledge the original authors of the
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