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Information card for entry 4107967
Preview
Coordinates | 4107967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H40 Li2 N6 |
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Calculated formula | C32 H40 Li2 N6 |
SMILES | [Li]123[N](c4ccccc4[N]41c1ccccc1[N](C)(C)[Li]14[N](c4ccccc4[N]21c1ccccc1[N]3(C)C)(C)C)(C)C |
Title of publication | Nickel Complexes of a Pincer NN2 Ligand: Multiple Carbon-Chloride Activation of CH2Cl2 and CHCl3 Leads to Selective Carbon-Carbon Bond Formation |
Authors of publication | Zsolt Csok; Oleg Vechorkin; Seth B. Harkins; Rosario Scopelliti; Xile Hu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 8156 - 8157 |
a | 9.3505 ± 0.0003 Å |
b | 16.1767 ± 0.0006 Å |
c | 19.9603 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3019.2 ± 0.18 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
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/4107967.html
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