Information card for entry 4087159

Structure parameters

• Formula: C20 H39 Fe N2 O P Si2
• Calculated formula: C20 H39 Fe N2 O P Si2
• SMILES: N1(C)c2[n](cccc2)[Fe]234([CH2]=[CH]2[Si](C)(C)O[Si]([CH]3=[CH2]4)(C)C)[P]1(C(C)C)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: 32.103 ± 0.005 Å
• b: 11.115 ± 0.0007 Å
• c: 17.793 ± 0.003 Å
• α: 90°
• β: 127.84 ± 0.02°
• γ: 90°
• Cell volume: 5014 ± 1.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9737
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No