Information card for entry 7020182

Structure parameters

• Formula: C41 H65 Br4 Fe N2 O4
• Calculated formula: C41 H65 Br4 Fe N2 O4
• 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: 21.235 ± 0.002 Å
• b: 11.953 ± 0.0011 Å
• c: 18.3053 ± 0.0017 Å
• α: 90°
• β: 92.37 ± 0.003°
• γ: 90°
• Cell volume: 4642.3 ± 0.7 ų
• 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: 0.1351
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2412
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No