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Information card for entry 4080753
Preview
Coordinates | 4080753.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H67 Hf N O2 |
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Calculated formula | C58 H67 Hf N O2 |
SMILES | [Hf]12(Oc4c(c5cccc6C=CC([NH]2c56)(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)Cc1ccccc1)cc(cc4C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Reaction of 2,8-Bis(o-hydroxyaryl)quinolines with Group 4 Metal Alkyls Resulting in Three Distinct Coordination Modes of the Tridentate Ligand. X-ray Structure of Complexes and Performance as Precursors in Ethylene Polymerization Catalysis |
Authors of publication | Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Mihan, Shahram; Winslow, Linda N.; Churakov, Andrei V. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2685 |
a | 11.5053 ± 0.0006 Å |
b | 13.2076 ± 0.0007 Å |
c | 16.2475 ± 0.0009 Å |
α | 98.307 ± 0.001° |
β | 92.71 ± 0.001° |
γ | 93.23 ± 0.001° |
Cell volume | 2435.3 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0353 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.069 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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