Information card for entry 7027072

Structure parameters

• Formula: C12 H8 Fe N2 O4
• Calculated formula: C12 H8 Fe N2 O4
• Title of publication: Bis(isonicotinato)iron(II): a rare, neutral three-dimensional iron coordination polymer
• Authors of publication: Xiong, Ren-Gen; Wilson, Scott R.; Lin, Wenbin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 24
• Pages of publication: 4089
• a: 4.9544 ± 0.0001 Å
• b: 13.2443 ± 0.0002 Å
• c: 10.4983 ± 0.0001 Å
• α: 90°
• β: 101.586 ± 0.001°
• γ: 90°
• Cell volume: 674.837 ± 0.018 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.1628
• Goodness-of-fit parameter for all reflections: 1.19
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No