Information card for entry 4068416

Structure parameters

• Formula: C22 H37 Fe I N P3
• Calculated formula: C22 H37 Fe I N P3
• SMILES: I[Fe]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[NH]=C(c2c1cccc2)c1ccccc1
• Title of publication: C−H Activation of Imines by Trimethylphosphine-Supported Iron Complexes and Their Reactivities
• Authors of publication: Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2300
• a: 10.4504 ± 0.0009 Å
• b: 13.7867 ± 0.0012 Å
• c: 18.393 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No