Information card for entry 4026383

Structure parameters

• Formula: C20 H20 Cl2 Fe N4
• Calculated formula: C20 H20 Cl2 Fe N4
• SMILES: c1[n]([Fe]([n]2ccccc2)(Cl)([n]2ccccc2)([n]2ccccc2)Cl)cccc1
• Title of publication: Iron(II)-Catalyzed Amidation of Aldehydes with Iminoiodinanes at Room Temperature and under Microwave-Assisted Conditions
• Authors of publication: Thi My Uyen Ton; Ciputra Tejo; Stefani Tania; Joyce Wei Wei Chang; Philip Wai Hong Chan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4894 - 4904
• a: 15.8008 ± 0.0011 Å
• b: 15.8008 ± 0.0011 Å
• c: 16.9668 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4236 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.2367
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No