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Information card for entry 7022833
Preview
| Coordinates | 7022833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H70 Cl2 Li N2 O4 Y |
|---|---|
| Calculated formula | C44 H70 Cl2 Li N2 O4 Y |
| SMILES | [Y]12([Cl][Li]([Cl]2)([O]3CCCC3)[O]3CCCC3)([O]3CCCC3)(N(c3c(cccc3C(C)C)C(C)C)C(C(N1c1c(cccc1C(C)C)C(C)C)=C)=C)[O]1CCCC1 |
| Title of publication | Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization. |
| Authors of publication | Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 25 |
| Pages of publication | 9211 - 9225 |
| a | 10.7796 ± 0.0004 Å |
| b | 21.4931 ± 0.0008 Å |
| c | 20.097 ± 0.0007 Å |
| α | 90° |
| β | 103.884 ± 0.001° |
| γ | 90° |
| Cell volume | 4520.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0657 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179933 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28. |
7022833.cif |
| 90357 | 2013-11-17 | cif/ Adding structures of 7022831, 7022832, 7022833, 7022834, 7022835, 7022836, 7022837, 7022838 via cif-deposit CGI script. |
7022833.cif |
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Users of the data should acknowledge the original authors of the
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