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Information card for entry 7039857
Preview
Coordinates | 7039857.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H40 F3 N Ni O7 P2 S |
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Calculated formula | C30 H40 F3 N Ni O7 P2 S |
SMILES | [Ni]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)cc(c3)C(=O)OC)(C(C)C)C(C)C)[N]#C/C=C/c1ccccc1.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | On the mechanism of Ni(ii)-promoted Michael-type hydroamination of acrylonitrile and its substituted derivatives. |
Authors of publication | Lapointe, S.; Zargarian, D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 40 |
Pages of publication | 15800 - 15810 |
a | 7.8878 ± 0.00008 Å |
b | 10.8927 ± 0.00011 Å |
c | 40.6954 ± 0.0004 Å |
α | 90° |
β | 91.891 ± 0.0005° |
γ | 90° |
Cell volume | 3494.62 ± 0.06 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
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 | 0.032 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Weighted residual factors for all reflections included in the refinement | 0.0824 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039857.html
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Users of the data should acknowledge the original authors of the
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