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Information card for entry 4068431
Preview
Coordinates | 4068431.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H58 B N Ni P2 |
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Calculated formula | C46 H58 B N Ni P2 |
SMILES | [Ni]12([P](Cc3c2c(C[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)[N]#CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
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 | 18.9665 ± 0.0009 Å |
b | 17.7718 ± 0.0008 Å |
c | 24.7209 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8332.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0805 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1128 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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