Information card for entry 4068306

Structure parameters

• Formula: C28 H24 Br2 Fe N2
• Calculated formula: C28 H24 Br2 Fe N2
• SMILES: Br[Fe]1(Br)[N](=C(c2ccccc2)c2ccccc2)CC[N]1=C(c1ccccc1)c1ccccc1
• 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: 11.162 ± 0.004 Å
• b: 37.468 ± 0.013 Å
• c: 12.386 ± 0.004 Å
• α: 90°
• β: 97.201 ± 0.005°
• γ: 90°
• Cell volume: 5139 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No