Information card for entry 4068418

Structure parameters

• Formula: C21 H31 Fe N O P2
• Calculated formula: C21 H31 Fe N O P2
• SMILES: C[Fe]1(C#[O])(c2ccccc2C=[N]1c1ccccc1)([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: 13.037 ± 0.002 Å
• b: 10.774 ± 0.003 Å
• c: 16.757 ± 0.003 Å
• α: 90°
• β: 111.648 ± 0.013°
• γ: 90°
• Cell volume: 2187.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1494
• 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