Information card for entry 4087156

Structure parameters

• Formula: C34 H42 Fe O P2 Si2
• Calculated formula: C34 H42 Fe O P2 Si2
• SMILES: [Si]1([CH]2=[CH2][Fe]342([CH]([Si](C)(C)O1)=[CH2]3)[P](c1ccccc1)(CC[P]4(c1ccccc1)c1ccccc1)c1ccccc1)(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: 11.8727 ± 0.0012 Å
• b: 16.4005 ± 0.0013 Å
• c: 17.288 ± 0.0013 Å
• α: 90°
• β: 91.226 ± 0.008°
• γ: 90°
• Cell volume: 3365.5 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0288
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No