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Information card for entry 4073572
Preview
Coordinates | 4073572.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H64 N2 Zr |
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Calculated formula | C54 H64 N2 Zr |
SMILES | [Zr]1([N](=C(CN1c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Synthesis of Hafnium and Zirconium Imino−Amido Complexes from Bis-imine Ligands. A New Family of Olefin Polymerization Catalysts |
Authors of publication | De Waele, Philip; Jazdzewski, Brian A.; Klosin, Jerzy; Murray, Rex E.; Theriault, Curt N.; Vosejpka, Paul C.; Petersen, Jeffrey L. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 16 |
Pages of publication | 3896 |
a | 13.5237 ± 0.001 Å |
b | 18.2574 ± 0.0014 Å |
c | 18.3733 ± 0.0014 Å |
α | 90° |
β | 91.016 ± 0.002° |
γ | 90° |
Cell volume | 4535.8 ± 0.6 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4073572.html
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