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Information card for entry 7041900
Preview
| Coordinates | 7041900.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H64 Cl2 N2 O2 Si2 Zr |
|---|---|
| Calculated formula | C53 H64 Cl2 N2 O2 Si2 Zr |
| SMILES | [Zr]12(Cl)(Cl)([n]3c(c4c(O1)c([Si](C)(C)C(C)(C)C)cc1c4cccc1)cccc3c1c(O2)c([Si](C)(C)C(C)(C)C)cc2c1cccc2)[NH](C)C.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Conformationally dynamic titanium and zirconium cationic complexes of bis(naphthoxy)pyridine ligands: structure, "oscillation" and olefin polymerization catalysis. |
| Authors of publication | Annunziata, Liana; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François; Kirillov, Evgueni |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 10 |
| Pages of publication | 3150 - 3159 |
| a | 18.8689 ± 0.001 Å |
| b | 20.4867 ± 0.0011 Å |
| c | 22.9343 ± 0.0013 Å |
| α | 69.667 ± 0.002° |
| β | 75.579 ± 0.002° |
| γ | 70.528 ± 0.002° |
| Cell volume | 7748.1 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1031 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| 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 |
|---|---|---|---|
| 203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7041900.cif |
| 195047 | 2017-04-05 | cif/ Updating files of 7041899, 7041900 Original log message: Adding full bibliography for 7041899--7041900.cif. |
7041900.cif |
| 191161 | 2017-01-31 | cif/ Adding structures of 7041899, 7041900 via cif-deposit CGI script. |
7041900.cif |
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