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Information card for entry 7039855
Preview
Coordinates | 7039855.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H36 F3 N Ni O7 P2 S |
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Calculated formula | C21 H36 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)[NH3].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 | 7.5293 ± 0.0003 Å |
b | 11.2755 ± 0.0005 Å |
c | 17.2859 ± 0.0007 Å |
α | 84.276 ± 0.002° |
β | 88.649 ± 0.002° |
γ | 87.103 ± 0.002° |
Cell volume | 1458.08 ± 0.11 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/7039855.html
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