Information card for entry 4348962

Structure parameters

• Common name: FeTCNQ(4,4'-bpy)_benzene
• Chemical name: Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl benzene
• Formula: C42 H32 Fe N6
• Calculated formula: C42 H32 Fe N6
• Title of publication: Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions
• Authors of publication: Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 904
• a: 12.358 ± 0.0006 Å
• b: 12.358 ± 0.0006 Å
• c: 22.9288 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3501.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No