Information card for entry 7059964

Structure parameters

• Formula: C18 H16 Cl Fe N O
• Calculated formula: C18 H16 Cl Fe N O
• Title of publication: Iodoferrocene as a partner in N-arylation of amides
• Authors of publication: Kadari, Lingaswamy; Erb, William; Roisnel, Thierry; Radha Krishna, Palakodety; Mongin, Florence
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 15928 - 15941
• a: 10.3749 ± 0.0011 Å
• b: 11.6955 ± 0.0013 Å
• c: 13.3758 ± 0.0012 Å
• α: 109.852 ± 0.003°
• β: 100.413 ± 0.003°
• γ: 91.18 ± 0.004°
• Cell volume: 1495.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No