Information card for entry 2200804

Structure parameters

• Common name: (MeCN)6Fe (SbF6)2
• Chemical name: hexakis(acetonitrile) iron(II) hexafluoroantimonate
• Formula: C12 H18 F12 Fe N6 Sb2
• Calculated formula: C12 H18 F12 Fe N6 Sb2
• SMILES: C(C)#[N][Fe]([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.F[Sb](F)(F)(F)(F)[F-].F[Sb](F)(F)(F)(F)[F-]
• Title of publication: Hexakis(acetonitrile)iron(II) hexafluoroantimonate
• Authors of publication: Brennessel, William W.; Brooks, Neil R.; Mehn, Mark P.; Que Jr, Lawrence; Young Jr, Victor G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m545 - m546
• a: 11.3398 ± 0.0006 Å
• b: 11.3398 ± 0.0006 Å
• c: 17.3584 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1933.09 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes