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Information card for entry 4076494
Preview
Coordinates | 4076494.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H45 N5 Zr |
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Calculated formula | C39 H45 N5 Zr |
SMILES | [Zr]12(N(c3ccccc3c3[n]1c(ccc3)c1ccccc1N2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(N(C)C)N(C)C |
Title of publication | Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand |
Authors of publication | Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 1965 |
a | 16.6663 ± 0.0007 Å |
b | 11.7383 ± 0.0005 Å |
c | 18.243 ± 0.0007 Å |
α | 90° |
β | 104.524 ± 0.002° |
γ | 90° |
Cell volume | 3454.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.774 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4076494.html
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