Information card for entry 7020181

Structure parameters

• Formula: C33 H49 Cl4 Fe N2 O2
• Calculated formula: C33 H49 Cl4 Fe N2 O2
• Title of publication: Ionic iron(III) complexes of bis(phenol)-functionalized imidazolium cations: synthesis, structures and catalysis for aryl Grignard cross-coupling of alkyl halides.
• Authors of publication: Deng, Hai-ning; Xing, Ya-lin; Xia, Cong-liang; Sun, Hong-mei; Shen, Qi; Zhang, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11597 - 11607
• a: 18.221 ± 0.01 Å
• b: 22.283 ± 0.01 Å
• c: 9.501 ± 0.005 Å
• α: 90°
• β: 110.727 ± 0.013°
• γ: 90°
• Cell volume: 3608 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No