Information card for entry 4068308

Structure parameters

• Formula: C38 H33 F5 Fe N2 Si
• Calculated formula: C38 H33 F5 Fe N2 Si
• SMILES: [Fe]1([N](=C(c2ccccc2)c2ccccc2)CC[N]1=C(c1ccccc1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)C[Si](C)(C)C
• Title of publication: Electron-Deficient Iron Alkyl Complexes Supported by Diimine Ligand (Ph2CN)2C2H4: Evidence for Reversible Ethylene Binding
• Authors of publication: Volbeda, Jeroen; Meetsma, Auke; Bouwkamp, Marco W.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 209
• a: 13.081 ± 0.002 Å
• b: 18.575 ± 0.003 Å
• c: 28.996 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7045 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No