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Information card for entry 7040812
Preview
Coordinates | 7040812.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H53 Cl3 Fe N2 O2 |
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Calculated formula | C35 H53 Cl3 Fe N2 O2 |
SMILES | [Fe](Cl)(Cl)(Cl)[O]1CCCC1.n1(c[n+](c2c(cccc2C(C)C)C(C)C)cc1)c1c(C(C)C)cccc1C(C)C.O1CCCC1 |
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 | 12.168 ± 0.002 Å |
b | 32.246 ± 0.006 Å |
c | 9.841 ± 0.002 Å |
α | 90° |
β | 96.59 ± 0.03° |
γ | 90° |
Cell volume | 3835.8 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0688 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1213 |
Weighted residual factors for all reflections included in the refinement | 0.1288 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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