Information card for entry 4087162

Structure parameters

• Formula: C35 H43 Fe P3
• Calculated formula: C35 H43 Fe P3
• SMILES: [Fe]12([P](c3ccccc3)(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([P](C)(C)C)[C](#[C]2CC)CC
• Title of publication: Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity
• Authors of publication: Burcher, Benjamin; Sanders, Kevin J.; Benda, Ladislav; Pintacuda, Guido; Jeanneau, Erwann; Danopoulos, Andreas A.; Braunstein, Pierre; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 605
• a: 17.64 ± 0.002 Å
• b: 10.4497 ± 0.0014 Å
• c: 18.21 ± 0.003 Å
• α: 90°
• β: 106.861 ± 0.017°
• γ: 90°
• Cell volume: 3212.4 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections: 0.1194
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No