Information card for entry 7034485

Structure parameters

• Common name: Compound 1
• Chemical name: [Fe(H2bpta)]n
• Formula: C16 H8 Fe O8
• Calculated formula: C16 H8 Fe O8
• Title of publication: Synthesis, structures and magnetic properties in 3d-electron-rich isostructural complexes based on chains with sole syn-anti carboxylate bridges.
• Authors of publication: Su, Feng; Lu, Liping; Feng, Sisi; Zhu, Miaoli; Gao, Zengqiang; Dong, Yuhui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7213 - 7222
• a: 15.772 ± 0.002 Å
• b: 9.171 ± 0.0014 Å
• c: 9.605 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No