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Information card for entry 4106094
Preview
Coordinates | 4106094.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H54 Cl2 Mg2 N4 O2 |
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Calculated formula | C48 H54 Cl2 Mg2 N4 O2 |
Title of publication | A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides |
Authors of publication | Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7084 - 7095 |
a | 11.674 ± 0.002 Å |
b | 14.028 ± 0.003 Å |
c | 14.417 ± 0.003 Å |
α | 90° |
β | 110.7 ± 0.03° |
γ | 90° |
Cell volume | 2208.6 ± 0.9 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1218 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.1559 |
Weighted residual factors for all reflections included in the refinement | 0.182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106094.html
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Users of the data should acknowledge the original authors of the
structural data.