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Information card for entry 4066094
Preview
| Coordinates | 4066094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H46 Cl2 Zr |
|---|---|
| Calculated formula | C43 H46 Cl2 Zr |
| SMILES | [Zr]123456789(Cl)(Cl)[c]%10(C([c]%115[cH]6[cH]7[c]8([cH]9%11)C(C)(C)C)(c5ccccc5)c5ccccc5)[c]51ccc(c[c]25[c]13cc(cc[c]4%101)C(C)(C)C)C(C)(C)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 | 12.6849 ± 0.0008 Å |
| b | 20.6181 ± 0.0015 Å |
| c | 21.5412 ± 0.0016 Å |
| α | 86.109 ± 0.006° |
| β | 77.198 ± 0.005° |
| γ | 88.575 ± 0.005° |
| Cell volume | 5480.9 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.189 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.1818 |
| Weighted residual factors for all reflections included in the refinement | 0.2275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
4066094.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066094.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066094.cif |
| 33785 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066092, 4066093, 4066094, 4066095 via cif-deposit CGI script. |
4066094.cif |
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