Information card for entry 4068415

Structure parameters

• Formula: C23 H40 Fe N P3
• Calculated formula: C23 H40 Fe N P3
• SMILES: C[Fe]1(c2ccccc2C=[N]1c1ccccc1)([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: 8.645 ± 0.0006 Å
• b: 17.2303 ± 0.0009 Å
• c: 17.5171 ± 0.0012 Å
• α: 90°
• β: 102.068 ± 0.006°
• γ: 90°
• Cell volume: 2551.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No