Information card for entry 4068411

Structure parameters

• Formula: C22 H38 Fe N P3
• Calculated formula: C22 H38 Fe N P3
• SMILES: [FeH]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)c2c(cccc2)C(=[NH]1)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: 9.2765 ± 0.0012 Å
• b: 11.4028 ± 0.0013 Å
• c: 13.4638 ± 0.0016 Å
• α: 65.433 ± 0.009°
• β: 78.456 ± 0.01°
• γ: 74.8 ± 0.01°
• Cell volume: 1243.2 ± 0.3 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: 0.0317
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No