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Information card for entry 4514199
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Coordinates | 4514199.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 Hf N2 |
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Calculated formula | C32 H38 Hf N2 |
SMILES | [Hf]12([n]3c(c4c2ccc2ccccc42)cccc3C(N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C |
Title of publication | Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization |
Authors of publication | Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W. |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 6930 |
a | 9.6947 ± 0.0004 Å |
b | 12.8143 ± 0.0005 Å |
c | 22.3108 ± 0.0009 Å |
α | 91.516 ± 0.002° |
β | 95.983 ± 0.002° |
γ | 93.882 ± 0.002° |
Cell volume | 2748.7 ± 0.19 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 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 | 0.041 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections included in the refinement | 0.0635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4514199.html
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