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Information card for entry 1501783
Preview
| Coordinates | 1501783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 N5 Ti |
|---|---|
| Calculated formula | C20 H32 N5 Ti |
| SMILES | [Ti]1([n]2c(cccc2)C=[N]1c1c(cccc1C)C)(N(C)C)(N(C)C)N(C)C |
| Title of publication | New (Anilidomethyl)pyridine Titanium(IV) and Zirconium(IV) Catalyst Precursors for the Highly Chemo- and Stereoselectivecis-1,4-Polymerization of 1,3-Butadiene |
| Authors of publication | Annunziata, Liana; Pragliola, Stefania; Pappalardo, Daniela; Tedesco, Consiglia; Pellecchia, Claudio |
| Journal of publication | Macromolecules |
| Year of publication | 2011 |
| Journal volume | 44 |
| Journal issue | 7 |
| Pages of publication | 1934 |
| a | 13.614 ± 0.007 Å |
| b | 10.374 ± 0.005 Å |
| c | 15.394 ± 0.008 Å |
| α | 90° |
| β | 98.326 ± 0.01° |
| γ | 90° |
| Cell volume | 2151.2 ± 1.9 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1447 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for significantly intense reflections | 0.2129 |
| Weighted residual factors for all reflections included in the refinement | 0.2466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501783.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501783.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501783.cif |
| 35139 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501781, 1501782, 1501783 via cif-deposit CGI script. |
1501783.cif |
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Users of the data should acknowledge the original authors of the
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