Information card for entry 4068417

Structure parameters

• Formula: C17 H35 Fe I N P3
• Calculated formula: C17 H35 Fe I N P3
• SMILES: c12ccccc1C=[N](C)[Fe]2(I)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• 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: 8.9609 ± 0.0014 Å
• b: 14.722 ± 0.002 Å
• c: 33.98 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4483 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No