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Information card for entry 4080791
Preview
Coordinates | 4080791.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H33 Hf I3 N2 |
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Calculated formula | C22 H33 Hf I3 N2 |
SMILES | [Hf]1(I)(I)(I)[N](=C2C(N1c1c(cccc1C(C)C)C(C)C)=CCCC2)CCCC |
Title of publication | Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts |
Authors of publication | Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 2963 |
a | 14.862 ± 0.0004 Å |
b | 16.5798 ± 0.0005 Å |
c | 21.861 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5386.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0202 |
Residual factor for significantly intense reflections | 0.0163 |
Weighted residual factors for significantly intense reflections | 0.0326 |
Weighted residual factors for all reflections included in the refinement | 0.0336 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4080791.html
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