Information card for entry 7110969

Structure parameters

• Formula: C18 H18 B Cl F4 Fe O2
• Calculated formula: C18 H18 B Cl F3.5 Fe O2
• Title of publication: Regioselective iron-mediated C‒C coupling reactions: role of the iodide anion
• Authors of publication: Ferré, Karine; Le Mignot, Philippe; Guerchais, Véronique; Sinbandhit, Sourisak; Toupet, Loïc
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1405
• a: 7.462 ± 0.007 Å
• b: 11.991 ± 0.003 Å
• c: 21.169 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections: 0.2501
• Weighted residual factors for significantly intense reflections: 0.2063
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No