Information card for entry 4345327

Structure parameters

• Formula: C12 H8 Fe N2 O4
• Calculated formula: C12 H8 Fe N2 O4
• Title of publication: Incorporation of Pyrazine and Bipyridine Linkers with High-Spin Fe(II) and Co(II) in a Metal-Organic Framework.
• Authors of publication: Kawamura, Airi; Greenwood, Arin R.; Filatov, Alexander S.; Gallagher, Audrey T.; Galli, Giulia; Anderson, John S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3349 - 3356
• a: 24.644 ± 0.002 Å
• b: 24.644 ± 0.002 Å
• c: 7.1068 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3737.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No