Information card for entry 4087158

Structure parameters

• Formula: C14 H36 Fe O P2 Si2
• Calculated formula: C14 H36 Fe O P2 Si2
• SMILES: [CH2]1=[CH]2[Fe]31([P](C)(C)C)([CH2]=[CH]3[Si](C)(C)O[Si]2(C)C)[P](C)(C)C
• 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: 15.508 ± 0.0003 Å
• b: 9.75868 ± 0.00012 Å
• c: 15.9993 ± 0.0003 Å
• α: 90°
• β: 117.934 ± 0.003°
• γ: 90°
• Cell volume: 2139.19 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1663
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No