Information card for entry 4068413

Structure parameters

• Formula: C23 H40 Fe N P3
• Calculated formula: C23 H40 Fe N P3
• SMILES: [FeH]1([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[NH]=C(c2c1cccc2)c1ccccc1C
• 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: 9.2537 ± 0.0004 Å
• b: 9.3794 ± 0.0004 Å
• c: 14.8576 ± 0.0006 Å
• α: 94.603 ± 0.001°
• β: 90.404 ± 0.001°
• γ: 93.928 ± 0.001°
• Cell volume: 1282.27 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No