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Information card for entry 4108066
Preview
Coordinates | 4108066.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (iPr2Im)2(h2-C10F8)Ni(0) |
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Formula | C35 H40 F8 N4 Ni |
Calculated formula | C35 H40 F8 N4 Ni |
SMILES | [Ni]1(=C2N(C=CN2C(C)C)C(C)C)(=C2N(C=CN2C(C)C)C(C)C)[C]2(F)=[C]1(F)C(=C(F)c1c(F)c(F)c(F)c(F)c21)F.c1ccccc1C |
Title of publication | C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations |
Authors of publication | Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9304 - 9317 |
a | 26.01 ± 0.004 Å |
b | 17.383 ± 0.0018 Å |
c | 17.619 ± 0.002 Å |
α | 90° |
β | 118.334 ± 0.009° |
γ | 90° |
Cell volume | 7011.7 ± 1.6 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0709 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4108066.html
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