Information card for entry 4068414

Structure parameters

• Formula: C18 H38 Fe N P3
• Calculated formula: C18 H38 Fe N P3
• SMILES: c12ccccc1C=[N](C)[Fe]2(C)([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: 8.647 ± 0.0014 Å
• b: 14.882 ± 0.004 Å
• c: 17.814 ± 0.003 Å
• α: 103.14 ± 0.016°
• β: 95.33 ± 0.013°
• γ: 90.06 ± 0.017°
• Cell volume: 2222.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No