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Information card for entry 4066095
Preview
| Coordinates | 4066095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H50 Cl2 Zr |
|---|---|
| Calculated formula | C49 H50 Cl2 Zr |
| SMILES | [Zr]123456789(Cl)(Cl)[c]%10%11[c]1(ccc(c%10)C(C)(C)C)[c]2([c]14[c]3%11cc(C(C)(C)C)cc1)C(c1ccccc1)(c1ccccc1)[c]15[c]6([cH]9[c]8([cH]71)C(C)(C)c1ccccc1)C |
| Title of publication | NewC1-Symmetric Ph2C-Bridged Multisubstitutedansa-Zirconocenes for Highly Isospecific Propylene Polymerization: Synthetic Approach via Activated Fulvenes† |
| Authors of publication | Kirillov, Evgeny; Marquet, Nicolas; Razavi, Abbas; Belia, Vincenzo; Hampel, Frank; Roisnel, Thierry; Gladysz, John A.; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5073 |
| a | 22.104 ± 0.004 Å |
| b | 10.225 ± 0.0016 Å |
| c | 35.465 ± 0.006 Å |
| α | 90° |
| β | 92.746 ± 0.009° |
| γ | 90° |
| Cell volume | 8006 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| 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 |
|---|---|---|---|
| 178504 (current) | 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 4/06/60. |
4066095.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066095.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066095.cif |
| 33785 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066092, 4066093, 4066094, 4066095 via cif-deposit CGI script. |
4066095.cif |
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