Information card for entry 4348964

Structure parameters

• Common name: Fe(TCNQ)(DMF)2
• Chemical name: Iron tetracyanoquinodimethane N,N-dimethylformamide
• Formula: C24 H32 Fe N8 O4
• Calculated formula: C24 H32 Fe N8 O4
• 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: 7.3351 ± 0.0015 Å
• b: 8.8483 ± 0.0018 Å
• c: 11.466 ± 0.002 Å
• α: 82.2 ± 0.03°
• β: 89.3 ± 0.03°
• γ: 68.41 ± 0.03°
• Cell volume: 685 ± 0.3 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0525
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No