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Information card for entry 1501781
Preview
Coordinates | 1501781.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H40 N5 Zr |
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Calculated formula | C24 H40 N5 Zr |
SMILES | [Zr]1([n]2c(cccc2)C=[N]1c1c(cccc1C(C)C)C(C)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 | 8.8164 ± 0.0012 Å |
b | 9.4888 ± 0.0015 Å |
c | 16.959 ± 0.002 Å |
α | 75.473 ± 0.011° |
β | 75.003 ± 0.01° |
γ | 75.112 ± 0.01° |
Cell volume | 1298.3 ± 0.3 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0511 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1208 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1501781.html
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Users of the data should acknowledge the original authors of the
structural data.