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Information card for entry 4027904
Preview
Coordinates | 4027904.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H40 Br N4 Ni P |
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Calculated formula | C40 H40 Br N4 Ni P |
SMILES | [Ni]12(Br)[N](c3c(N4C=1N(C=C4)Cc1ccccc1)cccc3)=P(N2c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1 |
Title of publication | Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes |
Authors of publication | Wang-Jun Guo; Zhong-Xia Wang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 1054 - 1061 |
a | 9.6574 ± 0.0011 Å |
b | 11.2128 ± 0.0014 Å |
c | 18.5445 ± 0.0019 Å |
α | 86.91 ± 0.002° |
β | 79.601 ± 0.001° |
γ | 68.997 ± 0.001° |
Cell volume | 1843.8 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0902 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.142 |
Weighted residual factors for all reflections included in the refinement | 0.1558 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4027904.html
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