Information card for entry 4068304

Structure parameters

• Formula: C36 H46 Fe N2 Si2
• Calculated formula: C36 H46 Fe N2 Si2
• SMILES: [Fe]1([N](=C(c2ccccc2)c2ccccc2)CC[N]1=C(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)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: 13.369 ± 0.002 Å
• b: 10.9386 ± 0.0017 Å
• c: 24.187 ± 0.004 Å
• α: 90°
• β: 102.006 ± 0.003°
• γ: 90°
• Cell volume: 3459.7 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.1377
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No