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Information card for entry 4074825
Preview
Coordinates | 4074825.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H25 Cl2 N5 Ni O |
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Calculated formula | C14 H25 Cl2 N5 Ni O |
SMILES | Cc1cc(C)[n]2n1CC[NH]1CCn3c(C)cc(C)[n]3[Ni]21(Cl)Cl.O |
Title of publication | Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly Efficient Dimerization of Ethylene to 1-Butene |
Authors of publication | Ajellal, Noureddine; Kuhn, Maria C. A.; Boff, Andressa D. G.; Hörner, Manfredo; Thomas, Christophe M.; Carpentier, Jean-François; Casagrande, Osvaldo L. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 1213 - 1216 |
a | 15.2841 ± 0.0004 Å |
b | 13.7542 ± 0.0004 Å |
c | 9.0503 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1902.56 ± 0.09 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0221 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
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/4074825.html
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