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Information card for entry 7022552
Preview
Coordinates | 7022552.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H32 Br3 N2 Ni P |
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Calculated formula | C27 H32 Br3 N2 Ni P |
SMILES | Br[Ni](Br)(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1.n1(c[n+](cc1)C(C)C)C(C)C |
Title of publication | Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides. |
Authors of publication | Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 23 |
Pages of publication | 8437 - 8445 |
a | 16.0114 ± 0.0005 Å |
b | 9.7678 ± 0.0008 Å |
c | 19.4056 ± 0.0003 Å |
α | 90° |
β | 91.043 ± 0.011° |
γ | 90° |
Cell volume | 3034.5 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1069 |
Residual factor for significantly intense reflections | 0.0736 |
Weighted residual factors for significantly intense reflections | 0.1837 |
Weighted residual factors for all reflections included in the refinement | 0.2047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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