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Information card for entry 7040808
Preview
Coordinates | 7040808.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H52 Cl3 Fe N2 P |
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Calculated formula | C45 H52 Cl3 Fe N2 P |
SMILES | [Fe]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)Cl.n1(c2c(C(C)C)cccc2C(C)C)c[n+](c2c(cccc2C(C)C)C(C)C)cc1 |
Title of publication | Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation. |
Authors of publication | Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17739 - 17747 |
a | 17.2349 ± 0.0013 Å |
b | 14.0856 ± 0.0009 Å |
c | 17.5383 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4257.7 ± 0.5 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.1528 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
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/7040808.html
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