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Information card for entry 4068433
Preview
Coordinates | 4068433.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H29 Br Cl2 Ni O2 P2 |
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Calculated formula | C18 H29 Br Cl2 Ni O2 P2 |
SMILES | [Ni]12(Br)[P](Oc3c2c(O[P]1(C(C)C)C(C)C)c(Cl)cc3Cl)(C(C)C)C(C)C |
Title of publication | Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II) |
Authors of publication | Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2134 |
a | 11.0281 ± 0.0005 Å |
b | 17.9155 ± 0.0007 Å |
c | 13.0131 ± 0.0005 Å |
α | 90° |
β | 111.017 ± 0.002° |
γ | 90° |
Cell volume | 2400.01 ± 0.17 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0509 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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