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Information card for entry 4081963
Preview
Coordinates | 4081963.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H56 Hf N4 |
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Calculated formula | C32 H56 Hf N4 |
SMILES | [Hf]12([N](=C3C(N1c1c(cccc1C(C)C)C(C)C)=CCCC3)CCCC)([N](=C(N2C(C)C)C)C(C)C)(C)C |
Title of publication | Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes |
Authors of publication | Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6488 |
a | 13.2165 ± 0.0003 Å |
b | 16.1873 ± 0.0003 Å |
c | 15.9598 ± 0.0003 Å |
α | 90° |
β | 105.9 ± 0.001° |
γ | 90° |
Cell volume | 3283.8 ± 0.12 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.016 |
Residual factor for significantly intense reflections | 0.0138 |
Weighted residual factors for significantly intense reflections | 0.034 |
Weighted residual factors for all reflections included in the refinement | 0.0355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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