Information card for entry 4087157

Structure parameters

• Formula: C35 H44 Fe O P2 Si2
• Calculated formula: C35 H44 Fe O P2 Si2
• SMILES: [CH2]1=[CH]2[Fe]341([CH](=[CH2]3)[Si](C)(C)O[Si]2(C)C)[P](c1ccccc1)(c1ccccc1)CCC[P]4(c1ccccc1)c1ccccc1
• 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: 11.8587 ± 0.0005 Å
• b: 11.8767 ± 0.0004 Å
• c: 13.4547 ± 0.0005 Å
• α: 76.85 ± 0.003°
• β: 74.749 ± 0.003°
• γ: 69.161 ± 0.004°
• Cell volume: 1689.7 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9628
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No